National Library of Energy BETA

Sample records for au rg zn

  1. Mechanical and Electrical Performance of Thermally Stable Au-ZnO films

    SciTech Connect (OSTI)

    Schoeppner, Rachel L.; Goeke, Ronald S.; Moody, Neville R.; Bahr, David F.

    2015-03-28

    The mechanical properties, thermal stability, and electrical performance of AuZnO composite thin films are determined in this work. The co-deposition of ZnO with Au via physical vapor deposition leads to grain refinement over that of pure Au; the addition of 0.1 vol.% ZnO reduces the as-grown grain size by over 30%. The hardness of the as-grown films doubles with 2% ZnO, from 1.8 to 3.6 GPa as measured by nanoindentation. Films with ZnO additions greater than 0.5% show no significant grain growth after annealing at 350 C, while pure gold and smaller additions do exhibit grain growth and subsequent mechanical softening. Films with 1% and 2% ZnO show a decrease of approximately 50% in electrical resistivity and no change in hardness after annealing. A model accounting for both changes in the interface structure between dispersed ZnO particles and the Au matrix captures the changes in mechanical and electrical resistivity. Furthermore, the addition of 12% ZnO co-deposited with Au provides a method to create mechanically hard and thermally stable films with a resistivity less than 80 n?-m. Our results complement previous studies of other alloying systems, suggesting oxide dispersion strengthened (ODS) gold shows a desirable hardnessresistivity relationship that is relatively independent of the particular ODS chemistry.

  2. Nanoscale mapping of plasmon and exciton in ZnO tetrapods coupled with Au nanoparticles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bertoni, Giovanni; Fabbri, Filippo; Villani, Marco; Lazzarini, Laura; Turner, Stuart; Van Tendeloo, Gustaaf; Calestani, Davide; Gradečak, Silvija; Zappettini, Andrea; Salviati, Giancarlo

    2016-01-12

    Metallic nanoparticles can be used to enhance optical absorption or emission in semiconductors, thanks to a strong interaction of collective excitations of free charges (plasmons) with electromagnetic fields. Herein we present direct imaging at the nanoscale of plasmon-exciton coupling in Au/ZnO nanostructures by combining scanning transmission electron energy loss and cathodoluminescence spectroscopy and mapping. The Au nanoparticles (~30 nm in diameter) are grown in-situ on ZnO nanotetrapods by means of a photochemical process without the need of binding agents or capping molecules, resulting in clean interfaces. Interestingly, the Au plasmon resonance is localized at the Au/vacuum interface, rather than presentingmore » an isotropic distribution around the nanoparticle. Moreover, on the contrary, a localization of the ZnO signal has been observed inside the Au nanoparticle, as also confirmed by numerical simulations.« less

  3. Growth of Single- and Bilayer ZnO on Au(111) and Interaction with Copper

    SciTech Connect (OSTI)

    Deng, Xingyi; Yao, Kun; Sun, Keju; Li, Wei-Xue; Lee, Junseok; Matranga, Christopher

    2013-05-30

    The stoichiometric single- and bi-layer ZnO(0001) have been prepared by reactive deposition of Zn on Au(111) and studied in detail with X-ray photoelectron spectroscopy, scanning tunneling microscopy, and density functional theory calculations. Both single- and bi-layer ZnO(0001) adopt a planar, graphite-like structure similar to freestanding ZnO(0001) due to the weak van der Waals interactions dominating their adhesion with the Au(111) substrate. At higher temperature, the single-layer ZnO(0001) converts gradually to bi-layer ZnO(0001) due to the twice stronger interaction between two ZnO layers than the interfacial adhesion of ZnO with Au substrate. It is found that Cu atoms on the surface of bi-layer ZnO(0001) are mobile with a diffusion barrier of 0.31 eV, and likely to agglomerate and form nanosized particles at low coverages; while Cu atoms tend to penetrate a single layer of ZnO(0001) with a barrier of 0.10 eV, resulting in a Cu free surface.

  4. Mechanical and Electrical Performance of Thermally Stable Au-ZnO films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Schoeppner, Rachel L.; Goeke, Ronald S.; Moody, Neville R.; Bahr, David F.

    2015-03-28

    The mechanical properties, thermal stability, and electrical performance of Au–ZnO composite thin films are determined in this work. The co-deposition of ZnO with Au via physical vapor deposition leads to grain refinement over that of pure Au; the addition of 0.1 vol.% ZnO reduces the as-grown grain size by over 30%. The hardness of the as-grown films doubles with 2% ZnO, from 1.8 to 3.6 GPa as measured by nanoindentation. Films with ZnO additions greater than 0.5% show no significant grain growth after annealing at 350 °C, while pure gold and smaller additions do exhibit grain growth and subsequent mechanicalmore » softening. Films with 1% and 2% ZnO show a decrease of approximately 50% in electrical resistivity and no change in hardness after annealing. A model accounting for both changes in the interface structure between dispersed ZnO particles and the Au matrix captures the changes in mechanical and electrical resistivity. Furthermore, the addition of 1–2% ZnO co-deposited with Au provides a method to create mechanically hard and thermally stable films with a resistivity less than 80 nΩ-m. Our results complement previous studies of other alloying systems, suggesting oxide dispersion strengthened (ODS) gold shows a desirable hardness–resistivity relationship that is relatively independent of the particular ODS chemistry.« less

  5. Hydrothermal synthesis of coral-like Au/ZnO catalyst and photocatalytic degradation of Orange II dye

    SciTech Connect (OSTI)

    Chen, P.K.; Lee, G.J.; Davies, S.H.; Masten, S.J.; Amutha, R.; Wu, J.J.

    2013-06-01

    Highlights: ? Coral-like Au/ZnO was successfully prepared using green synthetic method. ? Gold nanoparticles were deposited on the ZnO structure using NaBH{sub 4} and ?-D-glucose. ? Coral-like Au/ZnO exhibited superior photocatalytic activity to degrade Orange II. - Abstract: A porous coral-like zinc oxide (c-ZnO) photocatalyst was synthesized by the hydrothermal method. The coral-like structure was obtained by precipitating Zn{sub 4}(CO{sub 3})(OH){sub 6}H{sub 2}O (ZnCH), which forms nanosheets that aggregate together to form microspheres with the coral-like structure. X-ray diffraction (XRD) studies indicate that after heating at 550 C the ZnCH microspheres can be converted to ZnO microspheres with a morphology similar to that of ZnCH microspheres. Thermogravimetric analysis (TGA) shows this conversion takes place at approximately 260 C. A simple electrostatic self-assembly method has been employed to uniformly disperse Au nanoparticles (1 wt.%) on the ZnO surface. In this procedure ?-D-glucose was used to stabilize the Au nanoparticles. Scanning electron microscope images indicate that the diameter of coral-like ZnO microspheres (c-ZnO) is about 8 ?m. X-ray diffraction reveals that the ZnO is highly crystalline with a wurtzite structure and the Au metallic particles have an average size of about 13 nm. X-ray photoelectron spectroscopic (XPS) studies have confirmed the presence of ZnO and also showed that the Au is present in the metallic state. The photocatalytic degradation of Orange II dye, with either ultraviolet or visible light, is faster on Au/c-ZnO than on c-ZnO.

  6. Visible light plasmonic heating of Au-ZnO for the catalytic reduction of CO2

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Congjun; Ranasingha, Oshadha; Natesakhawat, Sittichai; Ohodnicki, Paul R.; Andio, Mark; Lewis, James P.; Matranga, Christopher

    2013-01-01

    Plasmonic excitation of Au nanoparticles attached to the surface of ZnO catalysts using low power 532 nm laser illumination leads to significant heating of the catalyst and the conversion of CO2 and H2 reactants to CH4 and CO products. Temperature-calibrated Raman spectra of ZnO phonons show that intensity-dependent plasmonic excitation can controllably heat Au–ZnO from 30 to ~600 °C and simultaneously tune the CH4 : CO product ratio. The laser induced heating and resulting CH4 : CO product distribution agrees well with predictions from thermodynamic models and temperature-programmed reaction experiments indicating that the reaction is a thermally driven process resultingmore » from the plasmonic heating of the Au-ZnO. The apparent quantum yield for CO2 conversion under continuous wave (cw) 532 nm laser illumination is 0.030%. The Au-ZnO catalysts are robust and remain active after repeated laser exposure and cycling. The light intensity required to initiate CO2 reduction is low ( ~2.5 x 105 W m-2) and achievable with solar concentrators. Our results illustrate the viability of plasmonic heating approaches for CO2 utilization and other practical thermal catalytic applications.« less

  7. Structural Phase Transition in AuZn Alloys

    SciTech Connect (OSTI)

    Winn,B.L.; Shapiro, S.M.; Lashley, J.C.; Opeil, C.; Ratcliff, W.

    2009-05-03

    AuxZn1-x alloys undergo a shape memory martensitic transformation whose temperature and nature (continuous or discontinuous) is strongly composition dependent. Neutron diffraction experiments were performed on single crystals of x=50 and 52 to explore the structural changes occurring at the transition temperature. A transverse modulation with wavevector q0=(1/3,1/3,0) develops below the transition temperature, with no observable change in lattice parameter. However, the Bragg peak width shows a broadening suggesting an unresolved rhombohedral distortion similar to what has been observed in NiTi-Fe alloys.

  8. Oxidation of palladium on Au(111) and ZnO(0001) supports

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lallo, J.; Tenney, S. A.; Kramer, A.; Sutter, P.; Batzill, M.

    2014-10-21

    The oxidation of supported Pd-deposits on Au(111) and ZnO(0001) single crystals has been studied by x- ray photoemission spectroscopy (XPS). Oxidation has been carried out ex-situ in a high-pressure cell with subsequent vacuum-transfer and characterization by XPS in ultrahigh vacuum (UHV), as well as using in-situ characterization by synchrotron based near-ambient pressure XPS. On Au(111) alloying of Pd with the substrate competes with oxidation and only sufficiently thick Pd films have been found to oxidize. For Pd on ZnO the oxidation conditions depend on the amount of deposited Pd. Thicker Pd deposits behave similar to bulk Pd, while thinner filmsmore » oxidize already at lower temperatures. Interestingly, for very small amounts of Pd, in-situ XPS shows full oxidation at room temperature and at less than 0.6 mbar O₂ pressure. This indicates a lowering of the kinetic barriers for oxidation of very small supported Pd-clusters. The formed oxide is, however, not stable in UHV and a slow reduction is observed. The instability of this oxide indicates that the Pd-oxide formed at the interface to ZnO may have different chemical properties compared to bulk PdO or surface oxides on Pd.« less

  9. Oxidation of palladium on Au(111) and ZnO(0001) supports

    SciTech Connect (OSTI)

    Lallo, J.; Tenney, S. A.; Kramer, A.; Sutter, P.; Batzill, M.

    2014-10-21

    The oxidation of supported Pd-deposits on Au(111) and ZnO(0001) single crystals has been studied by x- ray photoemission spectroscopy (XPS). Oxidation has been carried out ex-situ in a high-pressure cell with subsequent vacuum-transfer and characterization by XPS in ultrahigh vacuum (UHV), as well as using in-situ characterization by synchrotron based near-ambient pressure XPS. On Au(111) alloying of Pd with the substrate competes with oxidation and only sufficiently thick Pd films have been found to oxidize. For Pd on ZnO the oxidation conditions depend on the amount of deposited Pd. Thicker Pd deposits behave similar to bulk Pd, while thinner films oxidize already at lower temperatures. Interestingly, for very small amounts of Pd, in-situ XPS shows full oxidation at room temperature and at less than 0.6 mbar O? pressure. This indicates a lowering of the kinetic barriers for oxidation of very small supported Pd-clusters. The formed oxide is, however, not stable in UHV and a slow reduction is observed. The instability of this oxide indicates that the Pd-oxide formed at the interface to ZnO may have different chemical properties compared to bulk PdO or surface oxides on Pd.

  10. Visible light plasmonic heating of Au-ZnO for the catalytic reduction of CO{sub 2}

    SciTech Connect (OSTI)

    Wang, Congjun; Ranasingha, Oshadha; Natesakhawat, Sittichai; Ohodnicki, Paul R.; Ohodnicki, Andio, Mark; Lewis, James; P Matranga, Christopher

    2013-05-01

    Plasmonic excitation of Au nanoparticles attached to the surface of ZnO catalysts using low power 532 nm laser illumination leads to significant heating of the catalyst and the conversion of CO{sub 2} and H{sub 2} reactants to CH{sub 4} and CO products. Temperature-calibrated Raman spectra of ZnO phonons show that intensity-dependent plasmonic excitation can controllably heat AuZnO from 30 to #1;~600 {degrees}#3;C and simultaneously tune the CH{sub 4} : CO product ratio. The laser induced heating and resulting CH{sub 4} : CO product distribution agrees well with predictions from thermodynamic models and temperatureprogrammed reaction experiments indicating that the reaction is a thermally driven process resulting from the plasmonic heating of the AuZnO. The apparent quantum yield for CO{sub 2} conversion under continuous wave (cw) 532 nm laser illumination is 0.030%. The AuZnO catalysts are robust and remain active after repeated laser exposure and cycling. The light intensity required to initiate CO{sub 2} reduction is low (#1;~2.5 x#4; 10{sup 5} W m{sup #5;-2}) and achievable with solar concentrators. Our results illustrate the viability of plasmonic heating approaches for CO{sub 2} utilization and other practical thermal catalytic applications.

  11. The effect of Au and Ni doping on the heavy fermion state of the Kondo lattice antiferromagnet CePtZn

    SciTech Connect (OSTI)

    Dhar, S. K.; Aoki, Y.; Suemitsu, B.; Miyazaki, R.; Provino, A.; Manfrinetti, P.

    2014-05-07

    We have probed the effect of doping CePtZn with Au and Ni and also investigated in detail the magnetic behavior of the iso-structural CeAuZn. A magnetic ground state is observed in both CePt{sub 0.9}Au{sub 0.1}Zn and CePt{sub 0.9}Ni{sub 0.1}Zn with T{sub N}?=?2.1 and 1.1?K and the coefficient of the linear term of electronic heat capacity ??=?0.34 and 0.9?J/mol K{sup 2}, respectively. The corresponding values for CePtZn are 1.7?K and 0.6?J/mol K{sup 2}. The altered values of T{sub N} and ? show that the electronic correlations in CePtZn are affected by doping with Au and Ni. CeAuZn orders magnetically near 1.7?K and its electrical resistivity shows a normal metallic behavior. Together with a ? of 0.022?J/mol K{sup 2} the data indicate a weak 4f-conduction electron hybridization in CeAuZn characteristic of normal trivalent cerium based systems.

  12. D= DOE/RG-0067

    Office of Environmental Management (EM)

    D= DOE/RG-0067 o y e= New England/Hydro-Quebec ± 450 kv Transmission Line Interconnection-- Phase II U.S. Department of Energy Economic Regulatory Administration Office of Fuels Programs August 1986 DClE/E I S-*0 l29D This report has been reproduced directly from the best available copy. Available from the National Technical Information Service, U.S. Department of Commerce, Springfield, Virginia 22161. Price: Printed Copy Al3 Microfiche A01 Codes are used for pricing all publications. The code

  13. Biography Jörg Mönig

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    rg Mönig Dr. Monig presented at the first US/German Workshop on the topic of Towards a German Safety Case The ISIBEL Project

  14. Boundary Entropy Can Increase Under Bulk RG Flow (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Boundary Entropy Can Increase Under Bulk RG Flow Citation Details In-Document Search Title: Boundary Entropy Can Increase Under Bulk RG Flow You are accessing a document from...

  15. Photoluminescence Enhancement in CdSe/ZnSDNA linkedAu Nanoparticle Heterodimers Probed by Single Molecule Spectroscopy

    SciTech Connect (OSTI)

    Cotlet, M.; Maye, M.M.; Gang, O.

    2010-07-26

    Photoluminescence enhancement of up to 20 fold is demonstrated at the single molecule level for heterodimers composed of a core/shell CdSe/ZnS semiconductive quantum dot and a gold nanoparticle of 60 nm size separated by a 32 nm-long dsDNA linker when employing optical excitation at wavelengths near the surface plasmon resonance of the gold nanoparticle.

  16. RG&E (Gas)- Commercial and Industrial Efficiency Program

    Broader source: Energy.gov [DOE]

    NYSEG and RG&E offer rebates to non-residential customers installing energy efficiency equipment who pay a natural gas Systems Benefits Charge (SBC). Both prescriptive rebates and custom...

  17. RG&E (Electric)- Commercial and Industrial Efficiency Program

    Broader source: Energy.gov [DOE]

    NYSEG and RG&E offer rebates to non-residential customers installing energy efficient equipment that have an electricity Systems Benefits Charge (SBC) included in their energy bills. Both...

  18. The effect of Au and Ni doping on the heavy fermion state of the Kondo

    Office of Scientific and Technical Information (OSTI)

    lattice antiferromagnet CePtZn (Journal Article) | SciTech Connect The effect of Au and Ni doping on the heavy fermion state of the Kondo lattice antiferromagnet CePtZn Citation Details In-Document Search Title: The effect of Au and Ni doping on the heavy fermion state of the Kondo lattice antiferromagnet CePtZn We have probed the effect of doping CePtZn with Au and Ni and also investigated in detail the magnetic behavior of the iso-structural CeAuZn. A magnetic ground state is observed in

  19. Microsoft Word - RBL_Jan_2009_RG13-1-398.doc

    Office of Legacy Management (LM)

    13-1-398 Well: Gas production well, Federal RG 13-1-398, API # 05-103-10605. Operator: Williams Production RMT, Incorporated Sampler: U.S. Department of Energy, Office of Legacy Management, Grand Junction, CO. Date of Sampling Event: 7 January 2009 Samples of natural gas and produced water were collected from production well Federal RG 13-1-398. Location data for the surface collection point and the sample location are given in Table 1. A description of each sample collected is listed in Table

  20. Microsoft Word - RBL_Jan_2009_RG24-13-398.doc

    Office of Legacy Management (LM)

    24-13-398 Well: Gas production well, Federal RG 24-13-398, API # 05-103-10702. Operator: Williams Production RMT, Incorporated Sampler: U.S. Department of Energy, Office of Legacy Management, Grand Junction, CO. Date of Sampling Event: 7 January 2009 Samples of natural gas and produced water were collected from production well Federal RG 24-13-398. Location data for the surface collection point and the sample location are given in Table 1. A description of each sample collected is listed in

  1. LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    81 § ¨ ¦ 81 LAKESHORE AVON BR ANT-EDEN ALD EN-LANC ASTER AU BURN W SH ELDON CALEDONIA HURON C REEK LEIC EST ER COL DEN ASH FORD INDIAN FALLS LAWTONS SAR DINIA RPD-037 -2 GLENWOOD PU LASKI PAVILION CON CORD COL LINS N ELM A ORC HARD PARK-H AMBU RG DANLEY CORNERS ST ILLWAT ER CHAFF EE-ARCAD E FAYETT E-WATERLOO LAKEVIEW JAVA SEN EC A W ELLER Y AU RORA E ZOAR BU FFALO TIOGA SILVER LAKE AKR ON ROM E RAT HBON E ALM A BET HANY WYOMING ULYSSES BR ANCH W SAN DY CREEK COL LINS BLOOMFIELD E LEBANON

  2. ARM-96-003 UAV Fall 1996 Flight Series Mission Summary RG Ellingson

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    6-003 UAV Fall 1996 Flight Series Mission Summary RG Ellingson Fall 1996 DISCLAIMER This report was prepared as an account of work sponsored by the U.S. Government. Neither the United States nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately

  3. ARM-96-004 UAV Spring Flight Series Mission Summary RG Ellingson

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    96-004 UAV Spring Flight Series Mission Summary RG Ellingson Spring 1996 DISCLAIMER This report was prepared as an account of work sponsored by the U.S. Government. Neither the United States nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately

  4. Simulation of Electric Field in Semi Insulating Au/CdTe/Au Detector under Flux

    SciTech Connect (OSTI)

    Franc, J.; James, R.; Grill, R.; Kubat, J.; Belas, E.; Hoschl, P.; Moravec, P.; Praus, P.

    2009-08-02

    We report our simulations on the profile of the electric field in semi insulating CdTe and CdZnTe with Au contacts under radiation flux. The type of the space charge and electric field distribution in the Au/CdTe/Au structure is at high fluxes result of a combined influence of charge formed due to band bending at the electrodes and from photo generated carriers, which are trapped at deep levels. Simultaneous solution of drift-diffusion and Poisson equations is used for the calculation. We show, that the space charge originating from trapped photo-carriers starts to dominate at fluxes 10{sup 15}-10{sup 16}cm{sup -2}s{sup -1}, when the influence of contacts starts to be negligible.

  5. Telescope Guiding with a HyViSI H2RG Used in Guide Mode

    SciTech Connect (OSTI)

    Simms, Lance M.; Figerb, Donald F.; Hanold, Brandon J.; Kahn, Steven M.; Gilmore, D.Kirk

    2010-06-04

    We report on long exposure results obtained with a Teledyne HyViSI H2RG detector operating in guide mode. The sensor simultaneously obtained nearly seeing-limited data while also guiding the Kitt Peak 2.1 m telescope. Results from unguided and guided operation are presented and used to place lower limits on flux/fluence values for accurate centroid measurements. We also report on significant noise reduction obtained in recent laboratory measurements that should further improve guiding capability with higher magnitude stars.

  6. SITE ;&;*E: ELK R~dEx RG&cme ALTERNATE NAIIE:

    Office of Legacy Management (LM)

    . . . 1PiEil0RAlriDUiY SITE ;&;*E: ELK R~dEx RG&cme ALTERNATE NAIIE: ___--------------_~_---~~~~~~-~~~~~~~-~ ---_-----__~~-______~- ,;yTy. ~tyLtt RIdEi% ----------------------~---- STATE: n4l-i __---- CWNER C'S) Past': -_----------_------_---- Cuf-rent:-------------~~~~-----~--- Gmer contacted 0 yes. 0 no: i+ yes, date contacted _ _ _ _ -VP= CO- OPERATION I A - = - - - - - - - - - - - - - & Research & Development : P r o d u c t i o n s c a l e test'ing Fiiot Scale 0 6ench S c a

  7. Recognition of the Activated States of G[alpha]13 by the rgRGS Domain of PDZRhoGEF

    SciTech Connect (OSTI)

    Chen, Zhe; Singer, William D.; Danesh, Shahab M.; Sternweis, Paul C.; Sprang, Stephen R.

    2009-12-01

    G12 class heterotrimeric G proteins stimulate RhoA activation by RGS-RhoGEFs. However, p115RhoGEF is a GTPase Activating Protein (GAP) toward G{alpha}13, whereas PDZRhoGEF is not. We have characterized the interaction between the PDZRhoGEF rgRGS domain (PRG-rgRGS) and the alpha subunit of G13 and have determined crystal structures of their complexes in both the inactive state bound to GDP and the active states bound to GDP {center_dot} AlF (transition state) and GTP{gamma}S (Michaelis complex). PRG-rgRGS interacts extensively with the helical domain and the effector-binding sites on G{alpha}13 through contacts that are largely conserved in all three nucleotide-bound states, although PRG-rgRGS has highest affinity to the Michaelis complex. An acidic motif in the N terminus of PRG-rgRGS occupies the GAP binding site of G{alpha}13 and is flexible in the GDP {center_dot} AlF complex but well ordered in the GTPS complex. Replacement of key residues in this motif with their counterparts in p115RhoGEF confers GAP activity.

  8. COL Application Content Guide for HTGRs: Revision to RG 1.206, Part 1 - Status Report

    SciTech Connect (OSTI)

    Wayne Moe

    2012-08-01

    A combined license (COL) application is required by the Nuclear Regulatory Commission (NRC) for all proposed nuclear plants. The information requirements for a COL application are set forth in 10 CFR 52.79, “Contents of Applications; Technical Information in Final Safety Analysis Report.” An applicant for a modular high temperature gas-cooled reactor (HTGR) must develop and submit for NRC review and approval a COL application which conforms to these requirements. The technical information necessary to allow NRC staff to evaluate a COL application and resolve all safety issues related to a proposed nuclear plant is detailed and comprehensive. To this, Regulatory Guide (RG) 1.206, “Combined License Applications for Nuclear Power Plants” (LWR Edition), was developed to assist light water reactor (LWR) applicants in incorporating and effectively formatting required information for COL application review (Ref. 1). However, the guidance prescribed in RG 1.206 presumes a LWR design proposal consistent with the systems and functions associated with large LWR power plants currently operating under NRC license.

  9. Rationalization of Au concentration and distribution in AuNi...

    Office of Scientific and Technical Information (OSTI)

    Rationalization of Au concentration and distribution in AuNi@Pt core-shell nanoparticles for oxygen reduction reaction Citation Details In-Document Search This content will become ...

  10. Photoluminescence study of the substitution of Cd by Zn during the growth by atomic layer epitaxy of alternate CdSe and ZnSe monolayers

    SciTech Connect (OSTI)

    Hernndez-Caldern, I.; Salcedo-Reyes, J. C.

    2014-05-15

    We present a study of the substitution of Cd atoms by Zn atoms during the growth of alternate ZnSe and CdSe compound monolayers (ML) by atomic layer epitaxy (ALE) as a function of substrate temperature. Samples contained two quantum wells (QWs), each one made of alternate CdSe and ZnSe monolayers with total thickness of 12 ML but different growth parameters. The QWs were studied by low temperature photoluminescence (PL) spectroscopy. We show that the Cd content of underlying CdSe layers is affected by the exposure of the quantum well film to the Zn flux during the growth of ZnSe monolayers. The amount of Cd of the quantum well film decreases with higher exposures to the Zn flux. A brief discussion about the difficulties to grow the Zn{sub 0.5}Cd{sub 0.5}Se ordered alloy (CuAu-I type) by ALE is presented.

  11. Magnetoresistance of Au films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, D. L.; Song, X. H.; Zhang, X; Zhang, Xiaoguang

    2014-01-01

    Measurement of the magnetoresistance (MR) of Au films as a function of temperature and film thickness reveals a strong dependence on grain size distribution and clear violation of the Kohler s rule. Using a model of random resistor network, we show that this result can be explained if the MR arises entirely from inhomogeneity due to grain boundary scattering and thermal activation of grain boundary atoms.

  12. AU Organization Chart | Department of Energy

    Energy Savers [EERE]

    AU Organization Chart AU Organization Chart AU Organization Chart: December 22, 2015 PDF icon AU Organization Chart: December 22, 2015 More Documents & Publications FTCP Senior Technical Safety Manager (STSM) Status Report USW Health Safety and Environment Conference - HSS Workshop Response to several FOIA requests - Renewable Energy.

  13. Optical properties of ZnO/ZnS and ZnO/ZnTe heterostructures forphotovoltaic applications

    SciTech Connect (OSTI)

    Schrier, Joshua; Demchenko, Denis O.; Wang, Lin-Wang; Alivisatos,A. Paul

    2007-05-01

    Although ZnO and ZnS are abundant, stable, environmentallybenign, their band gap energies (3.44 eV, 3.72 eV) are too large foroptimal photovoltaic efficiency. By using band-corrected pseudopotentialdensity-functional theory calculations, we study how the band gap,opticalabsorption, and carrier localization canbe controlled by formingquantum-well like and nanowire-based heterostructures ofZnO/ZnS andZnO/ZnTe. In the case of ZnO/ZnS core/shell nanowires, which can besynthesized using existing methods, we obtain a band gap of 2.07 eV,which corresponds to a Shockley-Quiesser efficiency limitof 23 percent.Based on these nanowire results, we propose that ZnO/ZnScore/shellnanowires can be used as photovoltaic devices with organic polymersemiconductors as p-channel contacts.

  14. Interpretation of the first data on central Au+Au collisions at (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Interpretation of the first data on central Au+Au collisions at Citation Details In-Document Search Title: Interpretation of the first data on central Au+Au collisions at We compare three semimicroscopic theories to the first data on particle production in central Au+Au collisions taken at RHIC by the PHOBOS Collaboration as well as to existing data on central Pb+Pb collisions taken at the SPS by the NA49 Collaboration. The Linear Extrapolation of Ultrarelativistic

  15. Rod consolidation of RG and E's (Rochester Gas and Electric Corporation) spent PWR (pressurized water reactor) fuel

    SciTech Connect (OSTI)

    Bailey, W.J.

    1987-05-01

    The rod consolidation demonstration involved pulling the fuel rods from five fuel assemblies from Unit 1 of RG and E's R.E. Ginna Nuclear Power Plant. Slow and careful rod pulling efforts were used for the first and second fuel assemblies. Rod pulling then proceeded smoothly and rapidly after some minor modifications were made to the UST and D consolidation equipment. The compaction ratios attained ranged from 1.85 to 2.00 (rods with collapsed cladding were replaced by dummy rods in one fuel assembly to demonstrate the 2:1 compaction ratio capability). This demonstration involved 895 PWR fuel rods, among which there were some known defective rods (over 50 had collapsed cladding); no rods were broken or dropped during the demonstration. However, one of the rods with collapsed cladding unexplainably broke during handling operations (i.e., reconfiguration in the failed fuel canister), subsequent to the rod consolidation demonstration. The broken rod created no facility problems; the pieces were encapsulated for subsequent storage. Another broken rod was found during postdemonstration cutting operations on the nonfuel-bearing structural components from the five assemblies; evidence indicates it was broken prior to any rod consolidation operations. During the demonstration, burnish-type lines or scratches were visible on the rods that were pulled; however, experience indicates that such lines are generally produced when rods are pulled (or pushed) through the spacer grids. Rods with collapsed cladding would not enter the funnel (the transition device between the fuel assembly and the canister that aids in obtaining high compaction ratios). Reforming of the flattened areas of the cladding on those rods was attempted to make the rod cross sections more nearly circular; some of the reformed rods passed through the funnel and into the canister.

  16. Rationalization of Au concentration and distribution in AuNi@Pt core-shell

    Office of Scientific and Technical Information (OSTI)

    nanoparticles for oxygen reduction reaction (Journal Article) | SciTech Connect Rationalization of Au concentration and distribution in AuNi@Pt core-shell nanoparticles for oxygen reduction reaction Citation Details In-Document Search This content will become publicly available on September 18, 2016 Title: Rationalization of Au concentration and distribution in AuNi@Pt core-shell nanoparticles for oxygen reduction reaction Improving the activity and stability of Pt-based core-shell

  17. Au-Pt heteroaggregate dendritic nanostructures and Au-Pt alloy nanoparticles and their use as catalysts

    DOE Patents [OSTI]

    Eichhorn, Bryan W. (University Park, MD); Zhou, Shenghu (Greenbelt, MD); Jackson, Gregory Scott (University Park, MD)

    2011-10-18

    Au--Pt heteroaggregate dendritic nanostructures and AuPt alloy nanoparticles, and their use as anodic catalysts in fuel cells.

  18. SrAgZn and EuAgZn with KHg{sub 2}-type structureStructure, magnetic properties, and {sup 151}Eu Mssbauer spectroscopy

    SciTech Connect (OSTI)

    Gerke, Birgit; Rodewald, Ute Ch.; Niehaus, Oliver; Pttgen, Rainer

    2013-07-15

    Samples of SrAgZn and EuAgZn were synthesized by reaction of the elements in sealed tantalum crucibles. Both structures were refined on the basis of single crystal X-ray diffractometer data: KHg{sub 2}-type, Imma, a=476.7(1), b=780.9(2), c=810.1(2) pm, R{sub 1}/wR{sub 2}=0.0189/0.0119, 381 F values for SrAg{sub 1.12}Zn{sub 0.88} and a=474.43(9), b=760.8(2), c=799.0(2) pm, R{sub 1}/wR{sub 2}=0.0226/0.0483, 370 F values for EuAg{sub 1.17}Zn{sub 0.83} with 13 variables per refinement. Silver and zinc are randomly distributed on the Hg position and build up three-dimensional networks. EuAgZn shows ferromagnetic ordering at 29(1) K. In the temperature range from 75 to 300 K the sample shows CurieWeiss behaviour with ?{sub eff}=7.87(1) ?{sub B}/Eu atom and ?{sub P}=37.1(1) K, indicating divalent europium. {sup 151}Eu Mssbauer spectroscopic measurements confirmed the divalent state with an isomer shift of ?9.31 mm/s at 78 K. Temperature dependent {sup 151}Eu data show first magnetic hyperfine field splitting at 25 K and a saturated magnetization of 17 T at 5.2 K. The temperature dependence can be described by an S=7/2 Brillouin function. - Graphical abstract: The near neighbor coordination of the strontium and europium atoms in SrAg{sub 1.12}Zn{sub 0.88}, EuAg{sub 1.17}Zn{sub 0.83}, and EuAuZn. - Highlights: Synthesis of new intermetallic zinc compounds SrAgZn and EuAgZn. Ferromagnetic ordering of EuAgZn at 29 K. Magnetic hyperfine field splitting in the {sup 151}Eu Mssbauer spectrum.

  19. RHIC Au beam in Run 2014

    SciTech Connect (OSTI)

    Zhang, S. Y.

    2014-09-15

    Au beam at the RHIC ramp in run 2014 is reviewed together with the run 2011 and run 2012. Observed bunch length and longitudinal emittance are compared with the IBS simulations. The IBS growth rate of the longitudinal emittance in run 2014 is similar to run 2011, and both are larger than run 2012. This is explained by the large transverse emittance at high intensity observed in run 2012, but not in run 2014. The big improvement of the AGS ramping in run 2014 might be related to this change. The importance of the injector intensity improvement in run 2014 is emphasized, which gives rise to the initial luminosity improvement of 50% in run 2014, compared with the previous Au-Au run 2011. In addition, a modified IBS model, which is calibrated using the RHIC Au runs from 9.8 GeV/n to 100 GeV/n, is presented and used in the study.

  20. Spectral response of nanocrystalline ZnO films embedded with Au nanoparticles

    SciTech Connect (OSTI)

    Patra, Anuradha; Manivannan, A.; Kasiviswanathan, S.

    2012-10-28

    Flame sheet modeling is a common approach for the determination of flame transfer functions for prediction and modeling of thermoacoustic combustion instabilities. The dynamics of the flame-sheet model for simple flame geometries can be shown to be equivalent to a basic model of convective disturbances interacting with a steady heat release region. This framework shows that the flame transfer functions predicted by linearized flame-sheet models are the Fourier transform of the steady heat release rate profile for the flamesheet geometry transformed into Lagrangian convective time reference frame. This result is significant relative to existing flame-sheet modeling approaches in allowing the prediction of dynamic behaviors on the basis of steady information only. Multiple perturbations on the flame can be treated simply via superposition of individual perturbations. Analysis of results from these convective disturbance models illuminates the existence of two independent length scales governing the flame transfer function dynamics. Magnitude is governed by the tip-to-tail length of the flame, whereas phase is governed by the heat release rate profile center of mass calculated from the disturbance origin. The convective disturbance approach shows promise in its potential to derive flame transfer function predictions from a steady flame heat release rate profile.

  1. Materials Data on ZnAu3 (SG:64) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  2. Suppression of Upsilon production in d + Au and Au + Au collisions at root s(NN) = 200 GeV (vol 735, pg 127, 2014)

    SciTech Connect (OSTI)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; Gliske, S.; Krueger, K.; Spinka, H. M.; Underwood, D.G.

    2014-07-30

    We report measurements of ? meson production in p + p, d +Au, and Au+Aucollisions using the STAR detector at RHIC. We compare the ? yield to the measured cross section in p + p collisions in order to quantify any modifications of the yield in cold nuclear matter using d +Au data and in hot nuclear matter using Au+Au data separated into three centrality classes. Our p +p measurement is based on three times the statistics of our previous result. We obtain a nuclear modification factor for ? (1S + 2S + 3S) in the rapidity range |y| < 1 in d + Aucollisions of RdAu = 0.79 0.24(stat.) 0.03(syst.) 0.10(p + p syst.). A comparison with models including shadowing and initial state parton energy loss indicates the presence of additional cold-nuclear matter suppression. Similarly, in the top 10% most-central Au + Au collisions, we measure a nuclear modification factor of R AA = 0.49 0.1(stat.) 0.02(syst.) 0.06(p + p syst.), which is a larger suppression factor than that seen in cold nuclear matter. Our results are consistent with complete suppression of excited-state ? mesons in Au + Aucollisions. The additional suppression in Au + Au is consistent with the level expected in model calculations that include the presence of a hot, deconfined QuarkGluon Plasma. However, understanding the suppression seen in d + Au is still needed before any definitive statements about the nature of the suppression in Au + Au can be made.

  3. Cation-poor complex metallic alloys in Ba(Eu)AuAl(Ga) systems: Identifying the keys that control structural arrangements and atom distributions at the atomic level

    SciTech Connect (OSTI)

    Smetana, Volodymyr; Steinberg, Simon; Mudryk, Yaroslav; Pecharsky, Vitalij; Miller, Gordon J.; Mudring, Anja -Verena

    2015-10-19

    Four complex intermetallic compounds BaAu6xGa6y (x = 1, y = 0.9) (I), BaAu6xAl6y (x = 0.9, y = 0.6) (II), EuAu6.2Ga5.8 (III), and EuAu6.1Al5.9 (IV) have been synthesized, and their structures and homogeneity ranges have been determined by single crystal and powder X-ray diffraction. Whereas I and II originate from the NaZn13-type structure (cF104112, Fm3C), III (tP52, P4/nbm) is derived from the tetragonal Ce2Ni17Si9-type, and IV (oP104, Pbcm) crystallizes in a new orthorhombic structure type. Both I and II feature formally anionic networks with completely mixed site occupation by Au and triel (Tr = Al, Ga) atoms, while a successive decrease of local symmetry from the parental structures of I and II to III and, ultimately, to IV correlates with increasing separation of Au and Tr on individual crystallographic sites. Density functional theory-based calculations were employed to determine the crystallographic site preferences of Au and the respective triel element to elucidate reasons for the atom distribution (coloring scheme). Chemical bonding analyses for two different EuAu6Tr6 models reveal maximization of the number of heteroatomic AuTr bonds as the driving force for atom organization. The Fermi levels fall in broad pseudogaps for both models allowing some electronic flexibility. Spin-polarized band structure calculations on the EuAu6Tr6 models hint to singlet ground states for europium and long-range magnetic coupling for both EuAu6.2Ga5.8 (III) and EuAu6.1Al5.9 (IV). This is substantiated by experimental evidence because both compounds show nearly identical magnetic behavior with ferromagnetic transitions at TC = 6 K and net magnetic moments of 7.35 ?B/f.u. at 2 K. As a result, the effective moments of 8.3 ?B/f.u., determined from CurieWeiss fits, point to divalent oxidation states for europium in both III and IV.

  4. Microsoft Word - AU Funtional Area Points of Contact by Office...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Functional Area Points of Contact Listing by AU Office Director Page 1 of 11 Integrated ... Area Points of Contact Listing by AU Office Director Page 2 of 11 COMSEC ...

  5. Enhancement of photoluminescence in ZnS/ZnO quantum dots interfacial heterostructures

    SciTech Connect (OSTI)

    Rajalakshmi, M.; Sohila, S.; Ramesh, R.; Bhalerao, G.M.

    2012-09-15

    Highlights: ? ZnS/ZnO quantum dots (QDs) were synthesized by controlled oxidation of ZnS nanoparticles. ? Interfacial heterostructure formation of ZnS/ZnO QDs is seen in HRTEM. ? Enormous enhancement of UV emission (?10 times) in ZnS/ZnO QDs heterostructure is observed. ? Phonon confinement effect is seen in the Raman spectrum. -- Abstract: ZnS/ZnO quantum dots (QDs) were synthesized by controlled oxidation of ZnS nanoparticles. HRTEM image showed small nanocrystals of size 4 nm and the magnified image of single quantum dot shows interfacial heterostructure formation. The optical absorption spectrum shows a blue shift of 0.19 and 0.23 eV for ZnO and ZnS QDs, respectively. This is due to the confinement of charge carries within the nanostructures. Enormous enhancement in UV emission (10 times) is reported which is attributed to interfacial heterostructure formation. Raman spectrum shows phonons of wurtzite ZnS and ZnO. Phonon confinement effect is seen in the Raman spectrum wherein LO phonon peaks of ZnS and ZnO are shifted towards lower wavenumber side and are broadened.

  6. From the ternary Eu(Au/In)2 and EuAu4(Au/In)2 with remarkable Au/In distributions to a new structure type: The gold-rich Eu5Au16(Au/In)6 structure

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Steinberg, Simon; Card, Nathan; Mudring, Anja -Verena

    2015-08-13

    The ternary Eu(Au/In)2 (EuAu0.46In1.54(2)) (I), EuAu4(Au/In)2 (EuAu4+xIn2–x with x = 0.75(2) (II), 0.93(2), and 1.03(2)), and Eu5Au16(Au/In)6 (Eu5Au17.29In4.71(3)) (III) have been synthesized, and their structures were characterized by single-crystal X-ray diffraction. I and II crystallize with the CeCu2-type (Pearson Symbol oI12; Imma; Z = 4; a = 4.9018(4) Å; b = 7.8237(5) Å; c = 8.4457(5) Å) and the YbAl4Mo2-type (tI14; I4/mmm; Z = 2; a = 7.1612(7) Å; c = 5.5268(7) Å) and exhibit significant Au/In disorder. I is composed of an Au/In-mixed diamond-related host lattice encapsulating Eu atoms, while the structure of II features ribbons of distorted, squaredmore » Au8 prisms enclosing Eu, Au, and In atoms. Combination of these structural motifs leads to a new structure type as observed for Eu5Au16(Au/In)6 (Eu5Au17.29In4.71(3)) (oS108; Cmcm; Z = 4; a = 7.2283(4) Å; b = 9.0499(6) Å; c = 34.619(2) Å), which formally represents a one-dimensional intergrowth of the series EuAu2–“EuAu4In2”. The site preferences of the disordered Au/In positions in II were investigated for different hypothetical “EuAu4(Au/In)2” models using the projector-augmented wave method and indicate that these structures attempt to optimize the frequencies of the heteroatomic Au–In contacts. Furthermore, a chemical bonding analysis on two “EuAu5In” and “EuAu4In2” models employed the TB-LMTO-ASA method and reveals that the subtle interplay between the local atomic environments and the bond energies determines the structural and site preferences for these systems.« less

  7. Synthesis, structure, and bonding in K12Au21Sn4. A polar intermetallic compound with dense Au20 and open AuSn4 layers

    SciTech Connect (OSTI)

    Li, Bin; Kim, Sung-Jin; Miller, Gordon J.; and Corbett, John D.

    2009-10-29

    The new phase K{sub 12}Au{sub 21}Sn{sub 4} has been synthesized by direct reaction of the elements at elevated temperatures. Single crystal X-ray diffraction established its orthorhombic structure, space group Pmmn (No. 59), a = 12.162(2); b = 18.058(4); c = 8.657(2) {angstrom}, V = 1901.3(7) {angstrom}{sup 3}, and Z = 2. The structure consists of infinite puckered sheets of vertex-sharing gold tetrahedra (Au{sub 20}) that are tied together by thin layers of alternating four-bonded-Sn and -Au atoms (AuSn{sub 4}). Remarkably, the dense but electron-poorer blocks of Au tetrahedra coexist with more open and saturated Au-Sn layers, which are fragments of a zinc blende type structure that maximize tetrahedral heteroatomic bonding outside of the network of gold tetrahedra. LMTO band structure calculations reveal metallic properties and a pseudogap at 256 valence electrons per formula unit, only three electrons fewer than in the title compound and at a point at which strong Au-Sn bonding is optimized. Additionally, the tight coordination of the Au framework atoms by K plays an important bonding role: each Au tetrahedra has 10 K neighbors and each K atom has 8-12 Au contacts. The appreciably different role of the p element Sn in this structure from that in the triel members in K{sub 3}Au{sub 5}In and Rb{sub 2}Au{sub 3}Tl appears to arise from its higher electron count which leads to better p-bonding (valence electron concentrations = 1.32 versus 1.22).

  8. Collision-spike sputtering of Au nanoparticles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sandoval, Luis; Urbassek, Herbert M.

    2015-08-06

    Ion irradiation of nanoparticles leads to enhanced sputter yields if the nanoparticle size is of the order of the ion penetration depth. While this feature is reasonably well understood for collision-cascade sputtering, we explore it in the regime of collision-spike sputtering using molecular-dynamics simulation. For this specific case of 200-keV Xe bombardment of Au particles, we show that collision spikes lead to abundant sputtering with an average yield of 397 ± 121 atoms compared to only 116 ± 48 atoms for a bulk Au target. Only around 31% of the impact energy remains in the nanoparticles after impact; the remaindermore » is transported away by the transmitted projectile and the ejecta. The sputter yield of supported nanoparticles is estimated to be around 80% of that of free nanoparticles due to the suppression of forward sputtering.« less

  9. OPERATION OF THE RHIC AU ION SOURCE.

    SciTech Connect (OSTI)

    STESKI,D.B.; ALESSI,J.; BENJAMIN,J.; CARLSON,C.; MANNI,M.; THIEBERGER,P.; WIPLICH,M.

    2001-09-02

    The Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory (BNL) is beginning its second year of operation. A cesium sputter ion source injecting into a tandem Van de Graaff provides the gold ions for RHIC. The ion source is operated in the pulsed beam mode and produces a 500{micro}sec long pulse of Au{sup -} with a peak intensity of 290pA at the entrance of the tandem. After acceleration in the tandem and post stripping, this results in a beam of Au{sup +32} with an intensity of 80e{micro}A and an energy of 182MeV. Over the last several years, a series of improvements have been made to increase the intensity of the pulsed beam from the ion source. Details of the source performance and improvements will be presented. In addition, an effort is under way to provide other beam species for RHIC collisions.

  10. The electrical and mechanical properties of Au-V and Au-V{sub 2}O{sub 5}

    Office of Scientific and Technical Information (OSTI)

    thin films for wear-resistant RF MEMS switches (Journal Article) | SciTech Connect Journal Article: The electrical and mechanical properties of Au-V and Au-V{sub 2}O{sub 5} thin films for wear-resistant RF MEMS switches Citation Details In-Document Search Title: The electrical and mechanical properties of Au-V and Au-V{sub 2}O{sub 5} thin films for wear-resistant RF MEMS switches To explore alternatives to the use of pure Au in Ohmic contact RF microelectromechanical switches, we have

  11. Structural and optical properties of ZnO and ZnO:Fe nanoparticles under

    Office of Scientific and Technical Information (OSTI)

    dense electronic excitations (Journal Article) | SciTech Connect Structural and optical properties of ZnO and ZnO:Fe nanoparticles under dense electronic excitations Citation Details In-Document Search Title: Structural and optical properties of ZnO and ZnO:Fe nanoparticles under dense electronic excitations We report on the changes in structural, morphological, and optical properties of sol-gel derived ZnO and ZnO:Fe nanoparticles due to dense electronic excitations produced by heavy ion

  12. Ultraviolet emission from a multi-layer graphene/MgZnO/ZnO light-emitting diode

    SciTech Connect (OSTI)

    Kang, Jang-Won; Choi, Yong-Seok; Goo Kang, Chang; Hun Lee, Byoung [School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Kim, Byeong-Hyeok [Department of Nanobio Materials and Electronics, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Tu, C. W. [Department of Electrical and Computer Engineering, University of California, San Diego, La Jolla, California 92093-0407 (United States); Park, Seong-Ju, E-mail: sjpark@gist.ac.kr [School of Materials Science and Engineering, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Department of Nanobio Materials and Electronics, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of)

    2014-02-03

    We report on ultraviolet emission from a multi-layer graphene (MLG)/MgZnO/ZnO light-emitting diodes (LED). The p-type MLG and MgZnO in the MLG/MgZnO/ZnO LED are used as transparent hole injection and electron blocking layers, respectively. The current-voltage characteristics of the MLG/MgZnO/ZnO LED show that current transport is dominated by tunneling processes in the MgZnO barrier layer under forward bias conditions. The holes injected from p-type MLG recombine efficiently with the electrons accumulated in ZnO, and the MLG/MgZnO/ZnO LED shows strong ultraviolet emission from the band edge of ZnO and weak red-orange emission from the deep levels of ZnO.

  13. Structural and optical properties of ZnO and ZnO:Fe nanoparticles...

    Office of Scientific and Technical Information (OSTI)

    We report on the changes in structural, morphological, and optical properties of sol-gel derived ZnO and ZnO:Fe nanoparticles due to dense electronic excitations produced by heavy ...

  14. ZnS/Zn(O,OH)S-based buffer layer deposition for solar cells

    DOE Patents [OSTI]

    Bhattacharya, Raghu N.

    2009-11-03

    The invention provides CBD ZnS/Zn(O,OH)S and spray deposited ZnS/Zn(O,OH)S buffer layers prepared from a solution of zinc salt, thiourea and ammonium hydroxide dissolved in a non-aqueous/aqueous solvent mixture or in 100% non-aqueous solvent. Non-aqueous solvents useful in the invention include methanol, isopropanol and triethyl-amine. One-step deposition procedures are described for CIS, CIGS and other solar cell devices.

  15. DOElAU62350-43

    Office of Legacy Management (LM)

    DOElAU62350-43 REV. 2 BASELINE RISK ASSESSMENT OF GROUND WATER CONTAMINATION AT THE MONUMENT VALLEY URANIUM MILL TAILINGS SITE CANE VALLEY, ARIZONA March 1996 INTENDED FOR PUBLIC RELEASE This report has been reproduced from the best available copy. Available in paper copy and microfiche Number of pages in this report: 160 DOE and DOE contractors can obtain copies of this report from: Office of Scientific and Technical Information P.O. Box 62 Oak Ridge, TN 37831 (61 5) 576-8401 This report is

  16. RHIC performance for FY2011 Au+Au heavy ion run

    SciTech Connect (OSTI)

    Marr, G.; Ahrens, L.; Bai, M.; Beebe-Wang, J.; Blackler, I.; Blaskiewicz, M.; Brennan, J.M.; Brown, K.A.; Bruno, D.; Butler, J.; Carlson, C.; Connolly, R.; D'Ottavio, T.; Drees, K.A.; Fedotov, A.V.; Fischer, W.; Fu, W.; Gardner, C.J.; Gassner, D.M.; Glenn, J.W.; Gu, X.; Harvey, M.; Hayes, T.; Hoff, L.; Huang, H.; Ingrassia, P.F.; Jamilkowski, J.P.; Kling, N.; Lafky, M.; Laster, J.S.; Liu, C.; Luo, Y.; Mapes, M.; Marusic, A.; Mernick, K.; Michnoff, R.J.; Minty, M.G.; Montag, C.; Morris, J.; Naylor, C.; Nemesure, S.; Polizzo, S.; Ptitsyn, V.; Robert-Demolaize, G.; Roser, T.; Sampson, P.; Sandberg, J.; Schoefer, V.; Schultheiss, C.; Severino, F.; Shrey, T.; Smith, K.; Steski, D.; Tepikian, S.; Thieberger, P.; Trbojevic, D.; Tsoupas, N.; Tuozzolo, J.E.; VanKuik, B.; Wang, G.; Wilinski, M.; Zaltsman, A.; Zeno, K.; Zhang, S.Y.

    2011-09-04

    Following the Fiscal Year (FY) 2010 (Run-10) Relativistic Heavy Ion Collider (RHIC) Au+Au run, RHIC experiment upgrades sought to improve detector capabilities. In turn, accelerator improvements were made to improve the luminosity available to the experiments for this run (Run-11). These improvements included: a redesign of the stochastic cooling systems for improved reliability; a relocation of 'common' RF cavities to alleviate intensity limits due to beam loading; and an improved usage of feedback systems to control orbit, tune and coupling during energy ramps as well as while colliding at top energy. We present an overview of changes to the Collider and review the performance of the collider with respect to instantaneous and integrated luminosity goals. At the conclusion of the FY 2011 polarized proton run, preparations for heavy ion run proceeded on April 18, with Au+Au collisions continuing through June 28. Our standard operations at 100 GeV/nucleon beam energy was bracketed by two shorter periods of collisions at lower energies (9.8 and 13.5 GeV/nucleon), continuing a previously established program of low and medium energy runs. Table 1 summarizes our history of heavy ion operations at RHIC.

  17. Preparations for p-Au run in 2015

    SciTech Connect (OSTI)

    Liu, C.

    2014-12-31

    The p-Au particle collision is a unique category of collision runs. This is resulted from the different charge mass ratio of the proton and fully stripped Au ion (1 vs.79/197). The p-Au run requires a special acceleration ramp, and movement of a number of beam components as required by the beam trajectories. The DX magnets will be moved for the first time in the history of RHIC. In this note, the planning and preparations for p-Au run will be presented.

  18. High-performance deep ultraviolet photodetectors based on ZnO quantum dot assemblies

    SciTech Connect (OSTI)

    Xu, Xiaoyong; Xu, Chunxiang E-mail: jghu@yzu.edu.cn; Hu, Jingguo E-mail: jghu@yzu.edu.cn

    2014-09-14

    A high-performance ZnO quantum dots (QDs)-based ultraviolet (UV) photodetector has been successfully fabricated via the self-assembly of QDs on the Au interdigital electrode. The broadened band gap in ZnO QDs makes the device has the highly selective response for the deep UV detection. The unique QD-QD junction barriers similar to back-to-back Schottky barriers dominate the conductance of the QD network and the UV light-induced barrier-height modulation plays a crucial role in enhancing the photoresponsivity and the response speed. Typically, the as-fabricated device exhibits the fast response and recovery times of within 1 s, the deep UV selectivity of less than 340 nm, and the stable repeatability with on/off current ratio over 10, photoresponsivity of 5.0410A/W, and photocurrent gain of 1.910, demonstrating that the ZnO QD network is a superior building block for deep UV photodetectors.

  19. Identification of Au–S complexes on Au(100)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Walen, Holly; Liu, Da -Jiang; Oh, Junepyo; Yang, Hyun Jin; Kim, Yousoo; Thiel, P. A.

    2016-01-25

    In this study, using a combination of scanning tunneling microscopy and density functional theory (DFT) calculations, we have identified a set of related Au–S complexes that form on Au(100), when sulfur adsorbs and lifts the hexagonal surface reconstruction. The predominant complex is diamond-shaped with stoichiometry Au4S5. All of the complexes can be regarded as combinations of S–Au–S subunits. The complexes exist within, or at the edges of, p(2 × 2) sulfur islands that cover the unreconstructed Au regions, and are observed throughout the range of S coverage examined in this study, 0.009 to 0.12 monolayers. A qualitative model is developedmore » which incorporates competitive formation of complexes, Au rafts, and p(2 × 2) sulfur islands, as Au atoms are released by the surface structure transformation.« less

  20. Sideward flow in Au+Au collisions between 2A and 8A GeV

    SciTech Connect (OSTI)

    Liu, H.; Ajitanand, N.N.; Alexander, J.; Anderson, M.; Best, D.; Brady, F.P.; Case, T.; Caskey, W.; Cebra, D.; Chance, J.; Cole, B.; Crowe, K.; Das, A.; Draper, J.; Gilkes, M.; Gushue, S.; Heffner, M.; Hirsch, A.; Hjort, E.; Huo, L.; Justice, M.; Kaplan, M.; Keane, D.; Kintner, J.; Klay, J.; Krofcheck, D.; Lacey, R.; Lisa, M.A.; Liu, Y.M.; McGrath, R.; Milosevich, Z.; Odyniec, G.; Olson, D.; Panitkin, S.Y.; Porile, N.; Rai, G.; Ritter, H.G.; Romero, J.; Scharenberg, R.; Schroeder, L.S.; Srivastava, B.; Stone, N.T.B.; Symons, T.J.M.; Wang, S.; Whitfield, J.; Wienold, T.; Witt, R.; Wood, L.; Yang, X.; Zhang, W.N.; Zhang, Y.; E895 Collaboration

    2000-04-05

    Using the large acceptance Time Projection Chamber of experiment E895 at Brookhaven, measurements of collective sideward flow in Au + Au collisions at beam energies of 2A, 4A, 6A, and 8A GeV are presented in the form of in-plane transverse momentum

  1. Elliptic flow: transition from out-of-plane to in-plane emissionin Au + Au collisions

    SciTech Connect (OSTI)

    Pinkenburg, C.; Ajitanand, N.N.; Alexander, J.M.; Anderson, M.; Best, D.; Brady, F.P.; Case, T.; Caskey, W.; Cebra, D.; Chance, J.L.; Chung, P.; Cole, B.; Crowe, K.; Das, A.C.; Draper, J.E.; Elmaani, A.; Gilkes, M.L.; Gushue, S.; Heffner, M.; Hirsch, A.S.; Hjort, E.L.; Huo,L.; Justice, M.; Kaplan, M.; Keane, D.; Kintner, J.C.; Klay, J.; Krofcheck, D.; Lacey, R.A.; Lauret, J.; Law, C.; Lisa, M.A.; Liu, H.; Liu, Y.M.; McGrath, R.; Milosevich, Z.; Odyniec, G.; Olson, D.L.; Panitkin, S.Y.; Porile, N.T.; Rai, G.; Ritter, H.G.; Romero, J.L.; Scharenberg, R.P.; Schroeder, L.; Srivastava, B.; Stone, N.T.B.; Symons,T.J.M.; Whitfield, J.; Wienold, T.; Witt, R.; Wood, L.; Zhang, W.N.; E895Collaboration; Danielewicz, P.; Gossiaux, P.B.

    1999-07-31

    We have measured the proton elliptic flow excitation function for the Au+Au system spanning the beam energy range (2-8)A GeV. The excitation function shows a transition from negative to positive elliptic flow at a beam energy, Etr {approx} 4A GeV. Detailed comparisons with calculations from a relativistic Boltzmann equation are presented. The comparisons suggest a softening of the nuclear equation of state from a stiff form (K {approx} 380 MeV) at low beam energies (Ebeam < 2A GeV) to a softer form (K {approx} 210 MeV) at higher energies ( Ebeam < 4A GeV) where the calculated baryon density rho {approx} 4 rho 0.

  2. CO Oxidation mechanism on CeO2-supported Au nanoclusters

    SciTech Connect (OSTI)

    Kim H. Y.; Henkelman, G.

    2013-09-08

    To reveal the richer chemistry of CO oxidation by CeO2 supported Au Nanoclusters(NCs)/Nanoparticles, we design Au13 and Au12 supported on a flat and a stepped-CeO2 model (Au/CeO2) and study various kinds of CO oxidation mechanisms at the Au-CeO2 interface and the Au NC as well.

  3. Observation of D0 meson nuclear modifications in Au+Au collisions at sNN=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; et al

    2014-09-30

    We report the first measurement of charmed-hadron (D0) production via the hadronic decay channel (D0→K-+π+) in Au+Au collisions at √sNN=200 GeV with the STAR experiment. The charm production cross section per nucleon-nucleon collision at midrapidity scales with the number of binary collisions, Nbin, from p+p to central Au+Au collisions. The D0 meson yields in central Au+Aucollisions are strongly suppressed compared to those in p+p scaled by Nbin, for transverse momenta pT>3 GeV/c, demonstrating significant energy loss of charm quarks in the hot and dense medium. An enhancement at intermediate pT is also observed. Model calculations including strong charm-medium interactions andmore » coalescence hadronization describe our measurements.« less

  4. Observation of D0 meson nuclear modifications in Au+Au collisions at sNN=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; et al

    2014-09-30

    We report the first measurement of charmed-hadron (D0) production via the hadronic decay channel (D0→K-+π+) in Au+Au collisions at √sNN=200 GeV with the STAR experiment. The charm production cross section per nucleon-nucleon collision at midrapidity scales with the number of binary collisions, Nbin, from p+p to central Au+Au collisions. The D0 meson yields in central Au+Aucollisions are strongly suppressed compared to those in p+p scaled by Nbin, for transverse momenta pT>3 GeV/c, demonstrating significant energy loss of charm quarks in the hot and dense medium. An enhancement at intermediate pT is also observed. Model calculations including strong charm-medium interactions andmore »coalescence hadronization describe our measurements.« less

  5. Corrigendum to Suppression of ? production in d+Au and Au+Au collisions at ? SNN = 200 GeV" [Phys. Lett. B 735 (2014) 127-137

    SciTech Connect (OSTI)

    Adamczyk, L.

    2015-04-01

    We report measurements of ? meson production in p + p, d + Au, and Au+Au collisions using the STAR detector at RHIC. We compare the ? yield to the measured cross section in p + p collisions in order to quantify any modifications of the yield in cold nuclear matter using d + Au data and in hot nuclear matter using Au+Au data separated into three centrality classes. Our p + p measurement is based on three times the statistics of our previous result. We obtain a nuclear modification factor for Upsilon (1S + 2S + 3S) in the rapidity range |y| < 1 in d + Au collisions of RdAu = 0.79 0.24(stat.) 0.03(syst.) 0.10(p + p syst.). A comparison with models including shadowing and initial state parton energy loss indicates the presence of additional cold-nuclear matter suppression. Similarly, in the top 10% most-central Au + Au collisions, we measure a nuclear modification factor of R AA = 0.49 0.1(stat.) 0.02(syst.) 0.06(p + p syst.), which is a larger suppression factor than that seen in cold nuclear matter. Our results are consistent with complete suppression of excited-state Upsilon mesons in Au + Au collisions. The additional suppression in Au + Au is consistent with the level expected in model calculations that include the presence of a hot, deconfined QuarkGluon Plasma. However, understanding the suppression seen in d + Au is still needed before any definitive statements about the nature of the suppression in Au + Au can be made.

  6. Corrigendum to “Suppression of Υ production in d+Au and Au+Au collisions at √ SNN = 200 GeV" [Phys. Lett. B 735 (2014) 127-137

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.

    2015-04-01

    We report measurements of Υ meson production in p + p, d + Au, and Au+Au collisions using the STAR detector at RHIC. We compare the Υ yield to the measured cross section in p + p collisions in order to quantify any modifications of the yield in cold nuclear matter using d + Au data and in hot nuclear matter using Au+Au data separated into three centrality classes. Our p + p measurement is based on three times the statistics of our previous result. We obtain a nuclear modification factor for Upsilon (1S + 2S + 3S) in themore » rapidity range |y| < 1 in d + Au collisions of RdAu = 0.79 ± 0.24(stat.) ± 0.03(syst.) ± 0.10(p + p syst.). A comparison with models including shadowing and initial state parton energy loss indicates the presence of additional cold-nuclear matter suppression. Similarly, in the top 10% most-central Au + Au collisions, we measure a nuclear modification factor of R AA = 0.49 ±0.1(stat.) ±0.02(syst.) ±0.06(p + p syst.), which is a larger suppression factor than that seen in cold nuclear matter. Our results are consistent with complete suppression of excited-state Upsilon mesons in Au + Au collisions. The additional suppression in Au + Au is consistent with the level expected in model calculations that include the presence of a hot, deconfined Quark–Gluon Plasma. However, understanding the suppression seen in d + Au is still needed before any definitive statements about the nature of the suppression in Au + Au can be made.« less

  7. Study of asymmetries of Cd(Zn)Te devices investigated using photo-induced current transient spectroscopy, Rutherford backscattering, surface photo-voltage spectroscopy, and gamma ray spectroscopies

    SciTech Connect (OSTI)

    Crocco, J.; Bensalah, H.; Zheng, Q.; Dieguez, E.; Corregidor, V.; Avles, E.; Castaldini, A.; Fraboni, B.; Cavalcoli, D.; Cavallini, A.; Vela, O.

    2012-10-01

    Despite these recent advancements in preparing the surface of Cd(Zn)Te devices for detector applications, large asymmetries in the electronic properties of planar Cd(Zn)Te detectors are common. Furthermore, for the development of patterned electrode geometries, selection of each electrode surface is crucial for minimizing dark current in the device. This investigation presented here has been carried out with three objectives. Each objective is oriented towards establishing reliable methods for the selection of the anode and cathode surfaces independent of the crystallographic orientation. The objectives of this study are (i) investigate how the asymmetry in I-V characteristics of Cd(Zn)Te devices may be associated with the TeO2 interfacial layer using Rutherford backscattering to study the structure at the Au-Cd(Zn)Te interface, (ii) develop an understanding of how the concentration of the active traps in Cd(Zn)Te varies with the external bias, and (iii) propose non-destructive methods for selection of the anode and cathode which are independent of crystallographic orientation. The spectroscopic methods employed in this investigation include Rutherford backscattering spectroscopy, photo-induced current transient spectroscopy, and surface photo-voltage spectroscopy, as well as gamma ray spectroscopy to demonstrate the influence on detector properties.

  8. Corrigendum to “Suppression of Υ production in d+Au and Au+Au collisions at √ SNN = 200 GeV" [Phys. Lett. B 735 (2014) 127-137

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.

    2015-04-01

    We report measurements of Υ meson production in p + p, d + Au, and Au+Au collisions using the STAR detector at RHIC. We compare the Υ yield to the measured cross section in p + p collisions in order to quantify any modifications of the yield in cold nuclear matter using d + Au data and in hot nuclear matter using Au+Au data separated into three centrality classes. Our p + p measurement is based on three times the statistics of our previous result. We obtain a nuclear modification factor for Upsilon (1S + 2S + 3S) in themore »rapidity range |y| dAu = 0.79 ± 0.24(stat.) ± 0.03(syst.) ± 0.10(p + p syst.). A comparison with models including shadowing and initial state parton energy loss indicates the presence of additional cold-nuclear matter suppression. Similarly, in the top 10% most-central Au + Au collisions, we measure a nuclear modification factor of R AA = 0.49 ±0.1(stat.) ±0.02(syst.) ±0.06(p + p syst.), which is a larger suppression factor than that seen in cold nuclear matter. Our results are consistent with complete suppression of excited-state Upsilon mesons in Au + Au collisions. The additional suppression in Au + Au is consistent with the level expected in model calculations that include the presence of a hot, deconfined Quark–Gluon Plasma. However, understanding the suppression seen in d + Au is still needed before any definitive statements about the nature of the suppression in Au + Au can be made.« less

  9. Graphene-Au Nanoparticles Composite-Based Electrochemical Aptamer

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Biosensors (Conference) | SciTech Connect Conference: Graphene-Au Nanoparticles Composite-Based Electrochemical Aptamer Biosensors Citation Details In-Document Search Title: Graphene-Au Nanoparticles Composite-Based Electrochemical Aptamer Biosensors Authors: Guo, Shaojun [1] + Show Author Affiliations Los Alamos National Laboratory [Los Alamos National Laboratory Publication Date: 2014-03-27 OSTI Identifier: 1126641 Report Number(s): LA-UR-13-28234 DOE Contract Number: AC52-06NA25396

  10. Graphene-Au Nanoparticles Composite-Based Electrochemical Aptamer

    Office of Scientific and Technical Information (OSTI)

    Biosensors (Conference) | SciTech Connect Graphene-Au Nanoparticles Composite-Based Electrochemical Aptamer Biosensors Citation Details In-Document Search Title: Graphene-Au Nanoparticles Composite-Based Electrochemical Aptamer Biosensors Authors: Guo, Shaojun [1] + Show Author Affiliations Los Alamos National Laboratory [Los Alamos National Laboratory Publication Date: 2014-03-27 OSTI Identifier: 1126641 Report Number(s): LA-UR-13-28234 DOE Contract Number: AC52-06NA25396 Resource Type:

  11. Exploiting Intrinsic Triangular Geometry in Relativistic He 3 + Au

    Office of Scientific and Technical Information (OSTI)

    Collisions to Disentangle Medium Properties (Journal Article) | SciTech Connect Exploiting Intrinsic Triangular Geometry in Relativistic He 3 + Au Collisions to Disentangle Medium Properties Citation Details In-Document Search Title: Exploiting Intrinsic Triangular Geometry in Relativistic He 3 + Au Collisions to Disentangle Medium Properties Authors: Nagle, J. L. ; Adare, A. ; Beckman, S. ; Koblesky, T. ; Koop, J. Orjuela ; McGlinchey, D. ; Romatschke, P. ; Carlson, J. ; Lynn, J. E. ;

  12. Graphene-Au Nanoparticles Composite-Based Electrochemical Aptamer

    Office of Scientific and Technical Information (OSTI)

    Biosensors (Conference) | SciTech Connect Graphene-Au Nanoparticles Composite-Based Electrochemical Aptamer Biosensors Citation Details In-Document Search Title: Graphene-Au Nanoparticles Composite-Based Electrochemical Aptamer Biosensors × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information

  13. RHIC PERFORMANCE DURING THE FY10 200 GeV Au+Au HEAVY ION RUN

    SciTech Connect (OSTI)

    Brown, K.A.; Ahrens, L.; Bai, M.; Beebe-Wang, J.; Blaskiewicz, M.; Brennan, J.; Bruno, D.; Carlson, C.; Connolly, R.; de Maria, R.; DOttavio, T.; Drees, A.; Fischer, W.; Fu, W.; Gardner, C.; Gassner, D.; Glenn, J.W.; Hao, Y.; Harvey, M.; Hayes, T.; Hoff, L.; Huang, H.; Laster, J.; Lee, R.; Litvinenko, V.; Luo, Y.; MacKay, W.; Marr, G.; Marusic, A.; Mernick, K.; Michnoff, R.; Minty, M.; Montag, C.; Morris, J.; Nemesure, S.; Oerter, B.; Pilat, F.; Ptitsyn, V.; Robert-Demolaize, G.; Roser, T.; Russo, T.; Sampson, P.; Sandberg, J.; Satogata, T.; Severino, F.; Schoefer, V.; Schultheiss, C.; Smith, K.; Steski, D.; Tepikian, S.; Theisen, C.; Thieberger, P.; Trbojevic, D.; Tsoupas, N.; Tuozzolo, J.; Wang, G.; Wilinski, M.; Zaltsman, A.; Zeno, K.; Zhang, S.Y.

    2010-05-23

    Since the last successful RHIC Au+Au run in 2007 (Run-7), the RHIC experiments have made numerous detector improvements and upgrades. In order to benefit from the enhanced detector capabilities and to increase the yield of rare events in the acquired heavy ion data a significant increase in luminosity is essential. In Run-7 RHIC achieved an average store luminosity of = 12 x 10{sup 26} cm{sup -2} s{sup -1} by operating with 103 bunches (out of 111 possible), and by squeezing to {beta}* = 0.85 m. This year, Run-10, we achieved = 20 x 10{sup 26} cm{sup -2} s{sup -1}, which put us an order of magnitude above the RHIC design luminosity. To reach these luminosity levels we decreased {beta}* to 0.75 m, operated with 111 bunches per ring, and reduced longitudinal and transverse emittances by means of bunched-beam stochastic cooling. In addition we introduced a lattice to suppress intra-beam scattering (IBS) in both RHIC rings, upgraded the RF control system, and separated transition crossing times in the two rings. We present an overview of the changes and the results of Run-10 performance.

  14. Azimuthal anisotophy in U + U and Au + Au collisions at RHIC

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.

    2015-11-24

    Collisions between prolate uranium nuclei are used to study how particle production and azimuthal anisotropies depend on initial geometry in heavy-ion collisions. We report the two- and four-particle cumulants, v2{2} and v2{4}, for charged hadrons from U+U collisions at √SNN = 193 GeV and Au+Au collisions at √SNN = 200 GeV. Nearly fully overlapping collisions are selected based on the energy deposited by spectators in zero degree calorimeters (ZDCs). Within this sample, the observed dependence of v2{2} on multiplicity demonstrates that ZDC information combined with multiplicity can preferentially select different overlap configurations in U+U collisions. As a result, we alsomore » show that v2 vs multiplicity can be better described by models, such as gluon saturation or quark participant models, that eliminate the dependence of the multiplicity on the number of binary nucleon-nucleon collisions.« less

  15. Azimuthal anisotophy in U + U and Au + Au collisions at RHIC

    SciTech Connect (OSTI)

    Adamczyk, L.

    2015-11-24

    Collisions between prolate uranium nuclei are used to study how particle production and azimuthal anisotropies depend on initial geometry in heavy-ion collisions. We report the two- and four-particle cumulants, v2{2} and v2{4}, for charged hadrons from U+U collisions at √SNN = 193 GeV and Au+Au collisions at √SNN = 200 GeV. Nearly fully overlapping collisions are selected based on the energy deposited by spectators in zero degree calorimeters (ZDCs). Within this sample, the observed dependence of v2{2} on multiplicity demonstrates that ZDC information combined with multiplicity can preferentially select different overlap configurations in U+U collisions. As a result, we also show that v2 vs multiplicity can be better described by models, such as gluon saturation or quark participant models, that eliminate the dependence of the multiplicity on the number of binary nucleon-nucleon collisions.

  16. ZnCuInS/ZnSe/ZnS Quantum Dot-Based Downconversion Light-Emitting Diodes and Their Thermal Effect

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Liu, Wenyan; Zhang, Yu; Ruan, Cheng; Wang, Dan; Zhang, Tieqiang; Feng, Yi; Gao, Wenzhu; Yin, Jingzhi; Wang, Yiding; Riley, Alexis P.; et al

    2015-01-01

    The quantum dot-based light-emitting diodes (QD-LEDs) were fabricated using blue GaN chips and red-, yellow-, and green-emitting ZnCuInS/ZnSe/ZnS QDs. The power efficiencies were measured as 14.0 lm/W for red, 47.1 lm/W for yellow, and 62.4 lm/W for green LEDs at 2.6 V. The temperature effect of ZnCuInS/ZnSe/ZnS QDs on these LEDs was investigated using CIE chromaticity coordinates, spectral wavelength, full width at half maximum (FWHM), and power efficiency (PE). The thermal quenching induced by the increased surface temperature of the device was confirmed to be one of the important factors to decrease power efficiencies while the CIE chromaticity coordinates changed little due to themore » low emission temperature coefficients of 0.022, 0.050, and 0.068 nm/°C for red-, yellow-, and green-emitting ZnCuInS/ZnSe/ZnS QDs. These indicate that ZnCuInS/ZnSe/ZnS QDs are more suitable for downconversion LEDs compared to CdSe QDs.« less

  17. Measurement of J/? Azimuthal Anisotropy in Au+Au Collisions at ?sNN=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; et al

    2013-08-02

    The measurement of J/? azimuthal anisotropy is presented as a function of transverse momentum for different centralities in Au+Au collisions at ?sNN>/sub>=200 GeV. The measured J/? elliptic flow is consistent with zero within errors for transverse momentum between 2 and 10 GeV/c. Our measurement suggests that J/? particles with relatively large transverse momenta are not dominantly produced by coalescence from thermalized charm quarks, when comparing to model calculations.

  18. Measurement of J/? Azimuthal Anisotropy in Au+Au Collisions at ?sNN=200 GeV

    SciTech Connect (OSTI)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; Aschenauer, E.; Averichev, G. S.; Balewski, J.; Banerjee, A.; Barnovska, Z.; Beavis, D. R.; Bellwied, R.; Betancourt, M. J.; Betts, R. R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bichsel, H.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Borowski, W.; Bouchet, J.; Brandin, A. V.; Brovko, S. G.; Bruna, E.; Bltmann, S.; Bunzarov, I.; Burton, T. P.; Butterworth, J.; Cai, X. Z.; Caines, H.; Caldern de la Barca Snchez, M.; Cebra, D.; Cendejas, R.; Cervantes, M. C.; Chaloupka, P.; Chang, Z.; Chattopadhyay, S.; Chen, H. F.; Chen, J. H.; Chen, J. Y.; Chen, L.; Cheng, J.; Cherney, M.; Chikanian, A.; Christie, W.; Chung, P.; Chwastowski, J.; Codrington, M. J. M.; Corliss, R.; Cramer, J. G.; Crawford, H. J.; Cui, X.; Das, S.; Davila Leyva, A.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derradi de Souza, R.; Dhamija, S.; di Ruzza, B.; Didenko, L.; Ding, F.; Dion, A.; Djawotho, P.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Du, C. M.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Elnimr, M.; Engelage, J.; Eppley, G.; Eun, L.; Evdokimov, O.; Fatemi, R.; Fazio, S.; Fedorisin, J.; Fersch, R. G.; Filip, P.; Finch, E.; Fisyak, Y.; Flores, E.; Gagliardi, C. A.; Gangadharan, D. R.; Garand, D.; Geurts, F.; Gibson, A.; Gliske, S.; Grebenyuk, O. G.; Grosnick, D.; Gupta, A.; Gupta, S.; Guryn, W.; Haag, B.; Hajkova, O.; Hamed, A.; Han, L-X.; Harris, J. W.; Hays-Wehle, J. P.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Hofman, D. J.; Horvat, S.; Huang, B.; Huang, H. Z.; Huck, P.; Humanic, T. J.; Igo, G.; Jacobs, W. W.; Jena, C.; Judd, E. G.; Kabana, S.; Kang, K.; Kapitan, J.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Kesich, A.; Kikola, D. P.; Kiryluk, J.; Kisel, I.; Kisiel, A.; Klein, S. R.; Koetke, D. D.; Kollegger, T.; Konzer, J.; Koralt, I.; Korsch, W.; Kotchenda, L.; Kravtsov, P.; Krueger, K.; Kulakov, I.; Kumar, L.; Lamont, M. A. C.; Landgraf, J. M.; Landry, K. D.; LaPointe, S.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Leight, W.; LeVine, M. J.; Li, C.; Li, W.; Li, X.; Li, X.; Li, Y.; Li, Z. M.; Lima, L. M.; Lisa, M. A.; Liu, F.; Ljubicic, T.; Llope, W. J.; Longacre, R. S.; Lu, Y.; Luo, X.; Luszczak, A.; Ma, G. L.; Ma, Y. G.; Madagodagettige Don, D. M. M. D.; Mahapatra, D. P.; Majka, R.; Margetis, S.; Markert, C.; Masui, H.; Matis, H. S.; McDonald, D.; McShane, T. S.; Mioduszewski, S.; Mitrovski, M. K.; Mohammed, Y.; Mohanty, B.; Mondal, M. M.; Munhoz, M. G.; Mustafa, M. K.; Naglis, M.; Nandi, B. K.; Nasim, Md.; Nayak, T. K.; Nelson, J. M.; Nogach, L. V.; Novak, J.; Odyniec, G.; Ogawa, A.; Oh, K.; Ohlson, A.; Okorokov, V.; Oldag, E. W.; Oliveira, R. A. N.; Olson, D.; Pachr, M.; Page, B. S.; Pal, S. K.; Pan, Y. X.; Pandit, Y.; Panebratsev, Y.; Pawlak, T.; Pawlik, B.; Pei, H.; Perkins, C.; Peryt, W.; Pile, P.; Planinic, M.; Pluta, J.; Poljak, N.; Porter, J.; Poskanzer, A. M.; Powell, C. B.; Pruneau, C.; Pruthi, N. K.; Przybycien, M.; Pujahari, P. R.; Putschke, J.; Qiu, H.; Ramachandran, S.; Raniwala, R.; Raniwala, S.; Ray, R. L.; Riley, C. K.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Ross, J. F.; Ruan, L.; Rusnak, J.; Sahoo, N. R.; Sahu, P. K.; Sakrejda, I.; Salur, S.; Sandacz, A.; Sandweiss, J.; Sangaline, E.; Sarkar, A.; Schambach, J.; Scharenberg, R. P.; Schmah, A. M.; Schmidke, B.; Schmitz, N.; Schuster, T. R.; Seger, J.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shao, M.; Sharma, B.; Sharma, M.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Singaraju, R. N.; Skoby, M. J.; Smirnov, D.; Smirnov, N.; Solanki, D.; Sorensen, P.; deSouza, U. G.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Stevens, J. R.; Stock, R.; Strikhanov, M.; Stringfellow, B.; Suaide, A. A. P.; Suarez, M. C.; Sumbera, M.; Sun, X. M.; Sun, Y.; Sun, Z.; Surrow, B.; Svirida, D. N.; Symons, T. J. M.; Szanto de Toledo, A.; Takahashi, J.; Tang, A. H.; Tang, Z.; Tarini, L. H.; Tarnowsky, T.; Thomas, J. H.; Tian, J.; Timmins, A. R.; Tlusty, D.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Trzeciak, B. A.; Tsai, O. D.; Turnau, J.; Ullrich, T.; Underwood, D. G.; Van Buren, G.; van Nieuwenhuizen, G.; Vanfossen, J. A.; Varma, R.; Vasconcelos, G. M. S.; Videbk, F.; Viyogi, Y. P.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wada, M.; Wang, F.; Wang, G.; Wang, H.; Wang, J. S.; Wang, Q.; Wang, X. L.; Wang, Y.; Webb, G.; Webb, J. C.; Westfall, G. D.; Whitten, C.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y. F.; Xiao, Z.; Xie, W.; Xin, K.; Xu, H.; Xu, N.; Xu, Q. H.; Xu, W.; Xu, Y.; Xu, Z.; Xue, L.; Yang, Y.; Yang, Y.; Yepes, P.; Yi, L.; Yip, K.; Yoo, I-K.; Zawisza, M.; Zbroszczyk, H.; Zhang, J. B.; Zhang, S.; Zhang, X. P.; Zhang, Y.

    2013-08-02

    The measurement of J/? azimuthal anisotropy is presented as a function of transverse momentum for different centralities in Au+Au collisions at ?sNN>/sub>=200 GeV. The measured J/? elliptic flow is consistent with zero within errors for transverse momentum between 2 and 10 GeV/c. Our measurement suggests that J/? particles with relatively large transverse momenta are not dominantly produced by coalescence from thermalized charm quarks, when comparing to model calculations.

  19. ZnO and MgZnO Nanocrystalline Flexible Films: Optical and Material Properties

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Huso, Jesse; Morrison, John L.; Che, Hui; Sundararajan, Jency P.; Yeh, Wei Jiang; McIlroy, David; Williams, Thomas J.; Bergman, Leah

    2011-01-01

    An emore » merging material for flexible UV applications is Mg x Zn 1 − x O which is capable of tunable bandgap and luminescence in the UV range of ~3.4 eV–7.4 eV depending on the composition x . Studies on the optical and material characteristics of ZnO and Mg 0.3 Zn 0.7 O nanocrystalline flexible films are presented. The analysis indicates that the ZnO and Mg 0.3 Zn 0.7 O have bandgaps of 3.34 eV and 4.02 eV, respectively. The photoluminescence (PL) of the ZnO film was found to exhibit a structural defect-related emission at ~3.316 eV inherent to the nanocrystalline morphology. The PL of the Mg 0.3 Zn 0.7 O film exhibits two broad peaks at 3.38 eV and at 3.95 eV that are discussed in terms of the solubility limit of the ZnO-MgO alloy system. Additionally, external deformation of the film did not have a significant impact on its properties as indicated by the Raman LO-mode behavior, making these films attractive for UV flexible applications.« less

  20. AU Functional Area Points of Contact by Office Directors | Department of

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy AU Functional Area Points of Contact by Office Directors AU Functional Area Points of Contact by Office Directors AU functional area points of contact listing and contact information by AU Office Director (April 2015) PDF icon AU Functional Area Points of Contact by Office Directors - April 2015 More Documents & Publications Memorandum, Safeguards & Security Policy Panels - February 15, 2008 FAQS Sponsors and Recognized Experts Classification CommuniQué - Year: 2012

  1. Rationalization of Au concentration and distribution in AuNi@Pt core-shell nanoparticles for oxygen reduction reaction

    SciTech Connect (OSTI)

    An, Wei; Liu, Ping

    2015-09-18

    Improving the activity and stability of Pt-based coreshell nanocatalysts for proton exchange membrane fuel cells while lowering Pt loading has been one of the big challenges in electrocatalysis. Here, using density functional theory, we report the effect of adding Au as the third element to enhance the durability and activity of Ni@Pt coreshell nanoparticles (NPs) during the oxygen reduction reaction (ORR). Our results show that the durability and activity of a Ni@Pt NP can be finely tuned by controlling Au concentration and distribution. For a NiAu@Pt NP, the durability can be greatly promoted by thermodynamically favorable segregation of Au to replace the Pt atoms at vertex, edge, and (100) facets on the shell, while still keeping the ORR activity on the active Pt(111) shell as high as that of Ni@Pt nanoparticles. Such behavior strongly depends on a direct interaction with the Ni interlayer. The results not only highlight the importance of interplay between surface strain on the shell and the interlayershell interaction in determining the durability and activity but also provide guidance on how to maximize the usage of Au to optimize the performance of coreshell (Pt) nanoparticles. As a result, such understanding has allowed us to discover a novel NiAu@Pt nanocatalyst for the ORR.

  2. Heterojunction metal-oxide-metal Au-Fe{sub 3}O{sub 4}-Au single nanowire device for spintronics

    SciTech Connect (OSTI)

    Reddy, K. M. Punnoose, Alex; Hanna, Charles; Padture, Nitin P.

    2015-05-07

    In this report, we present the synthesis of heterojunction magnetite nanowires in alumina template and describe magnetic and electrical properties from a single nanowire device for spintronics applications. Heterojunction Au-Fe-Au nanowire arrays were electrodeposited in porous aluminum oxide templates, and an extensive and controlled heat treatment process converted Fe segment to nanocrystalline cubic magnetite phase with well-defined Au-Fe{sub 3}O{sub 4} interfaces as confirmed by the transmission electron microscopy. Magnetic measurements revealed Verwey transition shoulder around 120 K and a room temperature coercive field of 90 Oe. Current–voltage (I-V) characteristics of a single Au-Fe{sub 3}O{sub 4}-Au nanowire have exhibited Ohmic behavior. Anomalous positive magnetoresistance of about 0.5% is observed on a single nanowire, which is attributed to the high spin polarization in nanowire device with pure Fe{sub 3}O{sub 4} phase and nanocontact barrier. This work demonstrates the ability to preserve the pristine Fe{sub 3}O{sub 4} and well defined electrode contact metal (Au)–magnetite interface, which helps in attaining high spin polarized current.

  3. Rationalization of Au concentration and distribution in AuNi@Pt core-shell nanoparticles for oxygen reduction reaction

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    An, Wei; Liu, Ping

    2015-09-18

    Improving the activity and stability of Pt-based core–shell nanocatalysts for proton exchange membrane fuel cells while lowering Pt loading has been one of the big challenges in electrocatalysis. Here, using density functional theory, we report the effect of adding Au as the third element to enhance the durability and activity of Ni@Pt core–shell nanoparticles (NPs) during the oxygen reduction reaction (ORR). Our results show that the durability and activity of a Ni@Pt NP can be finely tuned by controlling Au concentration and distribution. For a NiAu@Pt NP, the durability can be greatly promoted by thermodynamically favorable segregation of Au tomore » replace the Pt atoms at vertex, edge, and (100) facets on the shell, while still keeping the ORR activity on the active Pt(111) shell as high as that of Ni@Pt nanoparticles. Such behavior strongly depends on a direct interaction with the Ni interlayer. The results not only highlight the importance of interplay between surface strain on the shell and the interlayer–shell interaction in determining the durability and activity but also provide guidance on how to maximize the usage of Au to optimize the performance of core–shell (Pt) nanoparticles. As a result, such understanding has allowed us to discover a novel NiAu@Pt nanocatalyst for the ORR.« less

  4. Formation, Migration, and Reactivity of Au CO Complexes on Gold Surfaces

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Jun; McEntee, Monica; Tang, Wenjie; Neurock, Matthew; Baddorf, Arthur P.; Maksymovych, Petro; Yates, Jr, John T.

    2016-01-12

    Here, we report experimental as well as theoretical evidence that suggests Au CO complex formation upon the exposure of CO to active sites (step edges and threading dislocations) on a Au(111) surface. Room-temperature scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy, transmission infrared spectroscopy, and density functional theory calculations point to Au CO complex formation and migration. Room-temperature STM of the Au(111) surface at CO pressures in the range from 10^ 8 to 10^ 4 Torr (dosage up to 10^6 langmuir) indicates Au atom extraction from dislocation sites of the herringbone reconstruction, mobile Au CO complex formation and diffusion, and Aumore » adatom cluster formation on both elbows and step edges on the Au surface. The formation and mobility of the Au CO complex result from the reduced Au Au bonding at elbows and step edges leading to stronger Au CO bonding and to the formation of a more positively charged CO (CO +) on Au. These studies indicate that the mobile Au CO complex is involved in the Au nanoparticle formation and reactivity, and that the positive charge on CO increases due to the stronger adsorption of CO at Au sites with lower coordination numbers.« less

  5. Homoepitaxy of ZnO and MgZnO Films at 90 C

    SciTech Connect (OSTI)

    Ehrentraut, Dirk; Goh, Gregory K.L.; Fujii, Katsushi; Ooi, Chin Chun; Quang, Le Hong; Fukuda, Tsuguo; Kano, Masataka; Zhang, Yuantao; Matsuoka, Takashi

    2014-06-01

    The aqueous synthesis of uniform single crystalline homoepitaxial zinc oxide, ZnO, and magnesium zinc oxide, Mg{sub x}Zn{sub 1?x}O, films under very low temperature conditions at T=90 C and ambient pressure has been explored. A maximum Mg content of 1 mol% was recorded by energy dispersive spectroscopy. The growth on the polar (0 0 0 1) and (0 0 0 1) faces resulted in films that are strongly different in their structural and optical quality as evidenced by high-resolution X-ray diffraction, secondary electron microscopy, and photoluminescence. This is a result of the chemistry and temperature of the solution dictating the stability range of growth-governing metastable species. The use of trisodium citrate, Na{sub 3}C{sub 6}H{sub 5}O{sub 7}, yielded coalesced, mirror-like homoepitaxial films whereas adding magnesium nitrate hexahydrate, Mg(NO{sub 3}){sub 2}6H{sub 2}O, favors the growth of films with pronounced faceting. - Graphical abstract: Homoepitaxial ZnO films grown from aqueous solution below boiling point of water on a ZnO substrate with off-orientation reveal parallel grooves that are characterized by (1 0 1{sup } 1) facets. Adding trisodium citrate yields closed, single-crystalline ZnO films, which can further be functionalized. Alloying with MgO yields MgZnO films with low Mg content only. - Highlights: A simple method to synthesize uniform single crystalline homoepitaxial ZnO and MgZnO films. ZnO growth on (0 0 0 1) and (0 0 0 1{sup }) face resulted in films that are strongly different in their structural and optical quality. Single crystalline MgZnO film was fabricated under mild conditions (90 C and ambient pressure). Mg incorporation of nearly 1 mol% was obtained while maintaining single phase wurtzite structure.

  6. AuRu/AC as an effective catalyst for hydrogenation reactions

    SciTech Connect (OSTI)

    Villa, Alberto; Chan-Thaw, Carine E.; Campisi, Sebastiano; Bianchi, Claudia L.; Wang, Di; Kotula, Paul G.; Kbel, Christian; Prati, Laura

    2015-03-23

    AuRu bimetallic catalysts have been prepared by sequential deposition of Au on Ru or vice versa obtaining different nanostructures: when Ru has been deposited on Au, a AucoreRushell has been observed, whereas the deposition of Au on Ru leads to a bimetallic phase with Ru enrichment on the surface. In the latter case, the unexpected Ru enrichment could be attributed to the weak adhesion of Ru on the carbon support, thus allowing Ru particles to diffuse on Au particles. Both structures result very active in catalysing the liquid phase hydrogenolysis of glycerol and levulinic acid but the activity, the selectivity and the stability depend on the structure of the bimetallic nanoparticles. Ru@Au/AC coreshell structure mostly behaved as the monometallic Ru, whereas the presence of bimetallic AuRu phase in Au@Ru/AC provides a great beneficial effect on both activity and stability.

  7. Pressure-Induced Structural Transformations of ZnO Nanowires...

    Office of Scientific and Technical Information (OSTI)

    their bulk moduli are significantly higher than those of bulk ZnO and nanocrystals. The SEM images of the ZnO nanowires both before and after the compression suggest the...

  8. Electroluminescence of ZnO-based semiconductor heterostructures

    SciTech Connect (OSTI)

    Novodvorskii, O A; Lotin, A A; Panchenko, Vladislav Ya; Parshina, L S; Khaidukov, E V; Zuev, D A; Khramova, O D [Institute on Laser and Information Technologies, Russian Academy of Sciences, Shatura, Moscow Region (Russian Federation)

    2011-01-31

    Using pulsed laser deposition, we have grown n-ZnO/p-GaN, n-ZnO/i-ZnO/p-GaN and n-ZnO/n-Mg{sub 0.2}Zn{sub 0.8}O/i-Cd{sub 0.2}Zn{sub 0.8}O/p-GaN light-emitting diode (LED) heterostructures with peak emission wavelengths of 495, 382 and 465 nm and threshold current densities (used in electroluminescence measurements) of 1.35, 2, and 0.48 A cm{sup -2}, respectively. Because of the spatial carrier confinement, the n-ZnO/n-Mg{sub 0.2}Zn{sub 0.8}O/i-Cd{sub 0.2}Zn{sub 0.8}O/p-GaN double heterostructure LED offers a higher electroluminescence intensity and lower electroluminescence threshold in comparison with the n-ZnO/p-GaN and n-ZnO/i-ZnO/p-GaN LEDs. (lasers)

  9. Formation of Zn-rich phyllosilicate, Zn-layered double hydroxide and hydrozincite in contaminated calcareous soils

    SciTech Connect (OSTI)

    Jacquat, Olivier; Voegelin, Andreas; Villard, Andre; Marcus, Matthew A.; Kretzschmar, Ruben

    2007-10-15

    Recent studies demonstrated that Zn-phyllosilicate- and Zn-layered double hydroxide-type (Zn-LDH) precipitates may form in contaminated soils. However, the influence of soil properties and Zn content on the quantity and type of precipitate forming has not been studied in detail so far. In this work, we determined the speciation of Zn in six carbonate-rich surface soils (pH 6.2 to 7.5) contaminated by aqueous Zn in the runoff from galvanized power line towers (1322 to 30090 mg/kg Zn). Based on 12 bulk and 23 microfocused extended X-ray absorption fine structure (EXAFS) spectra, the number, type and proportion of Zn species were derived using principal component analysis, target testing, and linear combination fitting. Nearly pure Zn-rich phyllosilicate and Zn-LDH were identified at different locations within a single soil horizon, suggesting that the local availabilities of Al and Si controlled the type of precipitate forming. Hydrozincite was identified on the surfaces of limestone particles that were not in direct contact with the soil clay matrix. With increasing Zn loading of the soils, the percentage of precipitated Zn increased from {approx}20% to {approx}80%, while the precipitate type shifted from Zn-phyllosilicate and/or Zn-LDH at the lowest studied soil Zn contents over predominantly Zn-LDH at intermediate loadings to hydrozincite in extremely contaminated soils. These trends were in agreement with the solubility of Zn in equilibrium with these phases. Sequential extractions showed that large fractions of soil Zn ({approx}30% to {approx}80%) as well as of synthetic Zn-kerolite, Zn-LDH, and hydrozincite spiked into uncontaminated soil were readily extracted by 1 M NH{sub 4}NO{sub 3} followed by 1 M NH{sub 4}-acetate at pH 6.0. Even though the formation of Zn precipitates allows for the retention of Zn in excess to the adsorption capacity of calcareous soils, the long-term immobilization potential of these precipitates is limited.

  10. Development of a Solar-Thermal ZnO/Zn Water-Splitting Thermochemical Cycle

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Development of a Solar-thermal ZnO/Zn Water-splitting Thermochemical Cycle Final Report (DE-PS36-03GO93007 - Subcontract RF-05-SHGR-006) Alan W. Weimer (PI), Christopher Perkins, Paul Lichty, Hans Funke, Jeremy Zartman, and David Hirsch Department of Chemical and Biological Engineering University of Colorado Boulder, CO 80309-0424 Carl Bingham and Allan Lewandowski National Renewable Energy Laboratory 1617 Cole Boulevard Golden, CO 80401-3393 Sophia Haussener and Aldo Steinfeld Department of

  11. Low frequency noise in the unstable contact region of Au-to-Au microcontact for microelectromechanical system switches

    SciTech Connect (OSTI)

    Qiu, Haodong; Wang, Hong; Ke, Feixiang

    2014-06-23

    The noise behavior of Au-to-Au microcontact for microelectromechanical system switches has been experimentally studied in the unstable contact region. The results suggest that the electrical conduction remains nonmetallic at the initial stage during contact formation due to the existence of alien films, and traps in the alien layer located at the contact interface could play an important role in determining the conduction noise. The conduction fluctuation induced by electron trapping-detrapping associated with the hydrocarbon layer is found to be an intrinsic noise source contributing to the low frequency noise in the unstable contact region.

  12. Dielectron Azimuthal Anisotropy at mid-rapidity in Au+Au collisions at root s=200GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.

    2014-12-11

    We report on the first measurement of the azimuthal anisotropy (v₂) of dielectrons (e⁺e⁻ pairs) at mid-rapidity from √(sNN)=200 GeV Au + Au collisions with the STAR detector at the Relativistic Heavy Ion Collider (RHIC), presented as a function of transverse momentum (pT) for different invariant-mass regions. In the mass region Meeee<2.9GeV/c², the measured dielectron v₂ is consistent, within experimental uncertainties, with that from the cc¯ contributions.

  13. ΛΛ correlation function in Au + Au collisions at √sNN = 200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.

    2015-01-12

    In this study, we present ΛΛ correlation measurements in heavy-ion collisions for Au+Au collisions at √sNN = 200 GeV using the STAR experiment at the Relativistic Heavy-Ion Collider (RHIC). The Lednický-Lyuboshitz analytical model has been used to fit the data to obtain a source size, a scattering length and an effective range. Implications of the measurement of the ΛΛ correlation function and interaction parameters for di-hyperon searches are discussed.

  14. Twinning effect on photoluminescence spectra of ZnSe nanowires

    SciTech Connect (OSTI)

    Xu, Jing; Wang, Chunrui Wu, Binhe; Xu, Xiaofeng; Chen, Xiaoshuang; Oh, Hongseok; Baek, Hyeonjun; Yi, Gyu-Chul

    2014-11-07

    Bandgap engineering in a single material along the axial length of nanowires may be realized by arranging periodic twinning, whose twin plane is vertical to the axial length of nanowires. In this paper, we report the effect of twin on photoluminescence of ZnSe nanowires, which refers to the bandgap of it. The exciton-related emission peaks of transverse twinning ZnSe nanowires manifest a 10-meV-blue-shift in comparison with those of longitudinal twinning ZnSe nanowires. The blue-shift is attributed to quantum confinement effect, which is influenced severely by the proportion of wurtzite ZnSe layers in ZnSe nanowires.

  15. AuRu/AC as an effective catalyst for hydrogenation reactions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Villa, Alberto; Chan-Thaw, Carine E.; Campisi, Sebastiano; Bianchi, Claudia L.; Wang, Di; Kotula, Paul G.; Kübel, Christian; Prati, Laura

    2015-03-23

    AuRu bimetallic catalysts have been prepared by sequential deposition of Au on Ru or vice versa obtaining different nanostructures: when Ru has been deposited on Au, a Aucore–Rushell has been observed, whereas the deposition of Au on Ru leads to a bimetallic phase with Ru enrichment on the surface. In the latter case, the unexpected Ru enrichment could be attributed to the weak adhesion of Ru on the carbon support, thus allowing Ru particles to diffuse on Au particles. Both structures result very active in catalysing the liquid phase hydrogenolysis of glycerol and levulinic acid but the activity, the selectivitymore » and the stability depend on the structure of the bimetallic nanoparticles. Ru@Au/AC core–shell structure mostly behaved as the monometallic Ru, whereas the presence of bimetallic AuRu phase in Au@Ru/AC provides a great beneficial effect on both activity and stability.« less

  16. Gold-rich R3Au7Sn3: Establishing the interdependence between...

    Office of Scientific and Technical Information (OSTI)

    Gold-rich R3Au7Sn3: Establishing the interdependence between electronic features and ... This content will become publicly available on May 18, 2016 Title: Gold-rich R3Au7Sn3: ...

  17. Observation of dynamic water microadsorption on Au surface

    SciTech Connect (OSTI)

    Huang, Xiaokang, E-mail: xiaokang.huang@tqs.com; Gupta, Gaurav; Gao, Weixiang; Tran, Van; Nguyen, Bang; McCormick, Eric; Cui, Yongjie; Yang, Yinbao; Hall, Craig; Isom, Harold [TriQuint Semiconductor, Inc., 500 W Renner Road, Richardson, Texas 75080 (United States)

    2014-05-15

    Experimental and theoretical research on water wettability, adsorption, and condensation on solid surfaces has been ongoing for many decades because of the availability of new materials, new detection and measurement techniques, novel applications, and different scales of dimensions. Au is a metal of special interest because it is chemically inert, has a high surface energy, is highly conductive, and has a relatively high melting point. It has wide applications in semiconductor integrated circuitry, microelectromechanical systems, microfluidics, biochips, jewelry, coinage, and even dental restoration. Therefore, its surface condition, wettability, wear resistance, lubrication, and friction attract a lot of attention from both scientists and engineers. In this paper, the authors experimentally investigated Au{sub 2}O{sub 3} growth, wettability, roughness, and adsorption utilizing atomic force microscopy, scanning electron microscopy, reflectance spectrometry, and contact angle measurement. Samples were made using a GaAs substrate. Utilizing a super-hydrophilic Au surface and the proper surface conditions of the surrounding GaAs, dynamic microadsorption of water on the Au surface was observed in a clean room environment. The Au surface area can be as small as 12??m{sup 2}. The adsorbed water was collected by the GaAs groove structure and then redistributed around the structure. A model was developed to qualitatively describe the dynamic microadsorption process. The effective adsorption rate was estimated by modeling and experimental data. Devices for moisture collection and a liquid channel can be made by properly arranging the wettabilities or contact angles of different materials. These novel devices will be very useful in microfluid applications or biochips.

  18. Growth of Long Range Forward-Backward Multiplicity Correlations with Centrality in Au+Au Collisions at sqrt sNN = 200 GeV

    SciTech Connect (OSTI)

    STAR Collaboration; Abelev, Betty

    2010-07-05

    Forward-backward multiplicity correlation strengths have been measured with the STAR detector for Au+Au and p+p collisions at {radical}s{sub NN} = 200 GeV. Strong short and long range correlations (LRC) are seen in central Au+Au collisions. The magnitude of these correlations decrease with decreasing centrality until only short range correlations are observed in peripheral Au+Au collisions. Both the Dual Parton Model (DPM) and the Color Glass Condensate (CGC) predict the existence of the long range correlations. In the DPM the fluctuation in the number of elementary (parton) inelastic collisions produces the LRC. In the CGC longitudinal color flux tubes generate the LRC. The data is in qualitative agreement with the predictions from the DPM and indicates the presence of multiple parton interactions.

  19. Impact of air-exposure on the chemical and electronic structure ofZnO:Zn3N2 thin films

    SciTech Connect (OSTI)

    Bar, M.; Ahn, K.-S.; Shet, S.; Yan, Y.; Weinhardt, L.; Fuchs, O.; Blum, M.; Pookpanratana, S.; George, K.; Yang, W.; Denlinger, J.D.; Al-Jassim, M.; Heske, C.

    2008-09-08

    The chemical and electronic surface structure of ZnO:Zn3N2 ("ZnO:N") thin films with different N contents was investigated by soft x-ray emission spectroscopy. Upon exposure to ambient air (in contrast to storage in vacuum), the chemical and electronic surface structure of the ZnO:N films changes substantially. In particular, we find that the Zn3N2/(Zn3N2+ZnO) ratio decreases with exposure time and that this change depends on the initial N content. We suggest a degradation mechanism based on the reaction of the Zn3N2 content with atmospheric humidity.

  20. Spin noise spectroscopy of ZnO

    SciTech Connect (OSTI)

    Horn, H.; Berski, F.; Hbner, J.; Oestreich, M.; Balocchi, A.; Marie, X.; Mansur-Al-Suleiman, M.; Bakin, A.; Waag, A.

    2013-12-04

    We investigate the thermal equilibrium dynamics of electron spins bound to donors in nanoporous ZnO by optical spin noise spectroscopy. The spin noise spectra reveal two noise contributions: A weak spin noise signal from undisturbed localized donor electrons with a dephasing time of 24 ns due to hyperfine interaction and a strong spin noise signal with a spin dephasing time of 5 ns which we attribute to localized donor electrons which interact with lattice defects.

  1. Stable highly conductive ZnO via reduction of Zn vacancies

    SciTech Connect (OSTI)

    Look, David C.; Droubay, Timothy C.; Chambers, Scott A.

    2012-09-04

    Growth of Ga-doped ZnO by pulsed laser deposition at 200 ?C in an ambient of Ar and H2 produces a resistivity ? of ~ 1.5 x 10-4 ?-cm, stable to 500 ?C. Annealing on Zn foil reduces ? to ~ 1.2 x 10-4 ?-cm, one of the lowest values ever reported. The key is reducing the Zn-vacancy acceptor concentration NA to 5 x 1019, only 3% of the Ga-donor concentration ND of 1.6 x 1021 cm-3, with ND and NA determined from a degenerate mobility theory. The plasmonic wavelength is 1060 nm, further bridging the gap between metals and semiconductors.

  2. Electronic Structure and Optical Properties of Cu2ZnGeSe4. First-Principles Calculations and Vacuum-Ultraviolet Spectroscopic Ellipsometric Studies

    SciTech Connect (OSTI)

    Choi, Sukgeun; Park, Ji-Sang; Donohue, Andrea; Christensen, Steven T.; To, Bobby; Beall, Carolyn; Wei, Su-Huai; Repins, Ingid L.

    2015-11-19

    Cu2ZnGeSe4 is of interest for the development of next-generation thin-film photovoltaic technologies. To understand its electronic structure and related fundamental optical properties, we perform first-principles calculations for three structural variations: kesterite, stannite, and primitive-mixed CuAu phases. The calculated data are compared with the room-temperature dielectric function?=?1+i?2 spectrum of polycrystalline Cu2ZnGeSe4 determined by vacuum-ultraviolet spectroscopic ellipsometry in the photon-energy range of 0.7 to 9.0 eV. Ellipsometric data are modeled with the sum of eight Tauc-Lorentz oscillators, and the best-fit model yields the band-gap and Tauc-gap energies of 1.25 and 1.19 eV, respectively. A comparison of overall peak shapes and relative intensities between experimental spectra and the calculated ? data for three structural variations suggests that the sample may not have a pure (ordered) kesterite phase. We found that the complex refractive index N=n+ik, normal-incidence reflectivity R, and absorption coefficients ? are calculated from the modeled ? spectrum, which are also compared with those of Cu2ZnSnSe4 . The spectral features for Cu2ZnGeSe4 appear to be weaker and broader than those for Cu2ZnSnSe4 , which is possibly due to more structural imperfections presented in Cu2ZnGeSe4 than Cu2ZnSnSe4 .

  3. Local spectroscopy of a kondo impurity: Co on Au(111)

    SciTech Connect (OSTI)

    Madhavan, V.; Chen, W.; Jamneala, T.; Crommie, M.F.; Wingreen, N.S.

    2001-07-15

    We present a detailed study of the local electronic properties of the Kondo system formed from cobalt adatoms deposited onto Au(111) at a temperature of 6.6 K. Cryogenic scanning-tunneling spectroscopy was used to observe impurity-induced resonances at the Fermi energy and at the Au(111) surface-state band edge. The line shape of the Fermi-energy resonance, identified as a Kondo resonance, is observed to vary with lateral position from the impurity center and with impurity binding position on the reconstructed Au(111) surface. Little vertical dependence is seen in the resonance line shape for positions above the center of the impurity. Interaction effects between Kondo impurities are observed to remain small as cobalt coverage is increased up to 1 ML on the gold surface. The Kondo resonance is shown theoretically to be a member of a general class of Fano resonances arising from the interaction of a discrete impurity state with a conduction-electron continuum. The asymmetric line shape of the resonance thus reflects quantum interference between the d orbital and continuum conduction electron channels, as well as their coupling to the STM tip.

  4. Optical probing of MgZnO/ZnO heterointerface confinement potential energy levels

    SciTech Connect (OSTI)

    Solovyev, V. V.; Van'kov, A. B.; Kukushkin, I. V.; Falson, J.; Kozuka, Y.; Zhang, D.; Smet, J. H.; Maryenko, D.; Tsukazaki, A.; Kawasaki, M.

    2015-02-23

    Low-temperature photoluminescence and reflectance measurements were employed to study the optical transitions present in two-dimensional electron systems confined at Mg{sub x}Zn{sub 1x}O/ZnO heterojunctions. Transitions involving A- and B-holes and electrons from the two lowest subbands formed within the confinement potential are detected. In the studied density range of 2.06.5??10{sup 11?}cm{sup ?2}, the inter-subband splitting is measured and the first excited electron subband is shown to be empty of electrons.

  5. Optical Properties of ZnO-Alloyed Nanocrystalline Films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Che, Hui; Huso, Jesse; Morrison, John L.; Thapa, Dinesh; Huso, Michelle; Yeh, Wei Jiang; Tarun, M. C.; McCluskey, M. D.; Bergman, Leah

    2012-01-01

    ZnO is emore » merging as one of the materials of choice for UV applications. It has a deep excitonic energy level and a direct bandgap of ~3.4 eV. Alloying ZnO with certain atomic constituents adds new optical and electronic functionalities to ZnO. This paper presents research on M g x Z n 1 − x O and Z n S 1 − x O x nanocrystalline flexible films, which enable tunable optical properties in the deep-UV and in the visible range. The ZnO and Mg 0 .3 Zn 0 .7 O films were found to have bandgaps at 3.35 and 4.02 eV, respectively. The photoluminescence of the Mg 0 .3 Zn 0 .7 O exhibited a bandedge emission at 3.95 eV, and at lower energy 3.38 eV due to the limited solubility inherent to these alloys. ZnS 0 .76 O 0 .24 and ZnS 0 .16 O 0 .84 were found to have bandgaps at 3.21 and 2.65 eV, respectively. The effect of nitrogen doping on ZnS 0 .16 O 0 .84 is discussed in terms of the highly lattice mismatched nature of these alloys and the resulting valence-band modification.« less

  6. Dielectron Azimuthal Anisotropy at mid-rapidity in Au+Au collisions at root s=200GeV

    SciTech Connect (OSTI)

    Adamczyk, L.; STAR Collaboration

    2014-12-01

    We report on the first measurement of the azimuthal anisotropy (v?) of dielectrons (e?e? pairs) at mid-rapidity from ?(sNN)=200 GeV Au + Au collisions with the STAR detector at the Relativistic Heavy Ion Collider (RHIC), presented as a function of transverse momentum (pT) for different invariant-mass regions. In the mass region Mee<1.1 GeV/c the dielectron v? measurements are found to be consistent with expectations from ??,?,?, and ? decay contributions. In the mass region 1.1ee<2.9GeV/c, the measured dielectron v? is consistent, within experimental uncertainties, with that from the cc contributions.

  7. Dielectron Azimuthal Anisotropy at mid-rapidity in Au+Au collisions at root s=200GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.

    2014-12-11

    We report on the first measurement of the azimuthal anisotropy (v₂) of dielectrons (e⁺e⁻ pairs) at mid-rapidity from √(sNN)=200 GeV Au + Au collisions with the STAR detector at the Relativistic Heavy Ion Collider (RHIC), presented as a function of transverse momentum (pT) for different invariant-mass regions. In the mass region Mee<1.1 GeV/c² the dielectron v₂ measurements are found to be consistent with expectations from π⁰,η,ω, and Φ decay contributions. In the mass region 1.1ee<2.9GeV/c², the measured dielectron v₂ is consistent, within experimental uncertainties, with that from the cc¯ contributions.

  8. Dielectron Azimuthal Anisotropy at mid-rapidity in Au+Au collisions at root s=200GeV

    SciTech Connect (OSTI)

    Adamczyk, L.

    2014-12-11

    We report on the first measurement of the azimuthal anisotropy (v₂) of dielectrons (e⁺e⁻ pairs) at mid-rapidity from √(sNN)=200 GeV Au + Au collisions with the STAR detector at the Relativistic Heavy Ion Collider (RHIC), presented as a function of transverse momentum (pT) for different invariant-mass regions. In the mass region Mee<1.1 GeV/c² the dielectron v₂ measurements are found to be consistent with expectations from π⁰,η,ω, and Φ decay contributions. In the mass region 1.1ee<2.9GeV/c², the measured dielectron v₂ is consistent, within experimental uncertainties, with that from the cc¯ contributions.

  9. Formation of Pd/Au Nanostructures from Pd Nanowires via Galvanic Replacement Reaction

    SciTech Connect (OSTI)

    Teng,X.; Wang, Q.; Liu, P.; Han, W.; Frenkel, A.; Wen, W.; Marinkovic, N.; Hanson, J.; Rodriguez, J.

    2008-01-01

    Bimetallic nanostructures with non-random metal atoms distribution are very important for various applications. To synthesize such structures via benign wet chemistry approach remains challenging. This paper reports a synthesis of a Au/Pd alloy nanostructure through the galvanic replacement reaction between Pd ultrathin nanowires (2.4 {+-} 0.2 nm in width, over 30 nm in length) and AuCl3 in toluene. Both morphological and structural changes were monitored during the reaction up to 10 h. Continuous changes of chemical composition and crystalline structure from Pd nanowires to Pd68Au32 and Pd45Au55 alloys, and to Au nanoparticles were observed. More interestingly, by using combined techniques such as high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), energy dispersive X-ray spectrometry (EDS), UV-vis absorption, and extended X-ray absorption fine structure (EXAFS) spectroscopy, we found the formation of Pd68Au32 non-random alloy with Au-rich core and Pd-rich shell, and random Pd45Au55 alloy with uniformly mixed Pd and Au atom inside the nanoparticles, respectively. Density functional theory (DFT) calculations indicated that alkylamine will strongly stabilize Pd to the surface, resulting in diffusion of Au atoms into the core region to form a non-random alloy. We believe such benign synthetic techniques can also enable the large scale preparation of various types of non-random alloys for several technically important catalysis applications.

  10. Structural and phonon transmission study of Ge-Au-Ge eutectically bonded interfaces

    SciTech Connect (OSTI)

    Knowlton, W.B. |

    1995-07-01

    This thesis presents a structural analysis and phonon transparency investigation of the Ge-Au-Ge eutectic bond interface. Interface development was intended to maximize the interfacial ballistic phonon transparency to enhance the detection of the dark matter candidate WIMPs. The process which was developed provides an interface which produces minimal stress, low amounts of impurities, and insures Ge lattice continuity through the interface. For initial Au thicknesses of greater than 1,000 {angstrom} Au per substrate side, eutectic epitaxial growth resulted in a Au dendritic structure with 95% cross sectional and 90% planar Au interfacial area coverages. In sections in which Ge bridged the interface, lattice continuity across the interface was apparent. Epitaxial solidification of the eutectic interface with initial Au thicknesses < 500 A per substrate side produced Au agglomerations thereby reducing the Au planar interfacial area coverage to as little as 30%. The mechanism for Au coalescence was attributed to lateral diffusion of Ge and Au in the liquid phase during solidification. Phonon transmission studies were performed on eutectic interfaces with initial Au thicknesses of 1,000 {angstrom}, 500 {angstrom}, and 300 {angstrom} per substrate side. Phonon imaging of eutectically bonded samples with initial Au thicknesses of 300 {angstrom}/side revealed reproducible interfacial percent phonon transmissions from 60% to 70%. Line scan phonon imaging verified the results. Phonon propagation TOF spectra distinctly showed the predominant phonon propagation mode was ballistic. This was substantiated by phonon focusing effects apparent in the phonon imaging data. The degree of interface transparency to phonons and resulting phonon propagation modes correlate with the structure of the interface following eutectic solidification. Structural studies of samples with initial Au thickness of 1,000 {angstrom}/side appear to correspond with the phonon transmission study.

  11. Electrodeposition of Zn based nanostructure thin films for photovoltaic applications

    SciTech Connect (OSTI)

    Al-Bathi, S. A. M.

    2015-03-30

    We present here a systematic study on the synthesis thin films of various ZnO, CdO, Zn{sub x}Cd{sub 1-x} (O) and ZnTe nanostructures by electrodeposition technique with ZnCl{sub 2,} CdCl{sub 2} and ZnSO{sub 4} solution as starting reactant. Several reaction parameters were examined to develop an optimal procedure for controlling the size, shape, and surface morphology of the nanostructure. The results showed that the morphology of the products can be carefully controlled through adjusting the concentration of the electrolyte. The products present well shaped Nanorods arrays at specific concentration and temperature. UV-VIS spectroscopy and X-ray diffraction results show that the product presents good crystallinity. A possible formation process has been proposed.

  12. Supported Au-CuO Catalysts for Low Temperature CO Oxidation | Department of

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy Supported Au-CuO Catalysts for Low Temperature CO Oxidation Supported Au-CuO Catalysts for Low Temperature CO Oxidation Catalytic properties of Au-CuOx/SiO2 are investigated in removing pollutants from simulated automotive exhaust to meet an increasing demand for high emissions control at low temperatures. PDF icon p-02_bauer.pdf More Documents & Publications Low Temperature Emission Control Vehicle Technologies Office Merit Review 2014: Low Temperature Emission Control to Enable

  13. Identification of {gamma} rays from {sup 172}Au and {alpha} decays of {sup 172}Au, {sup 168}Ir, and {sup 164}Re

    SciTech Connect (OSTI)

    Hadinia, B.; Cederwall, B.; Andgren, K.; Baeck, T.; Johnson, A.; Khaplanov, A.; Wyss, R.; Page, R. D.; Grahn, T.; Paul, E. S.; Sandzelius, M.; Scholey, C.; Greenlees, P. T.; Jakobsson, U.; Jones, P. M.; Julin, R.; Juutinen, J.; Ketelhut, S.; Leino, M.; Nyman, M.

    2009-12-15

    The very neutron deficient odd-odd nucleus {sup 172}Au was studied in reactions of 342 and 348 MeV {sup 78}Kr beams with an isotopically enriched {sup 96}Ru target. The {alpha} decays previously reported for {sup 172}Au were confirmed and the decay chain extended down to {sup 152}Tm through the discovery of a new {alpha}-decaying state in {sup 164}Re[E{sub {alpha}}=5623(10) keV; t{sub 1/2}=864{sub -110}{sup +150} ms; b{sub {alpha}}=3(1)%]. Fine structure in these {alpha} decays of {sup 172}Au and {sup 168}Ir were identified. A new {alpha}-decaying state was also observed and assigned as the ground state in {sup 172}Au[E{sub {alpha}}=6762(10) keV; t{sub 1/2}=22{sub -5}{sup +6} ms]. This decay chain was also correlated down to {sup 152}Tm through previously reported {alpha} decays. Prompt {gamma} rays from excited states in {sup 172}Au have been identified using the recoil-decay tagging technique. The partial level scheme constructed for {sup 172}Au indicates that it has an irregular structure. Possible configurations of the {alpha}-decaying states in {sup 172}Au are discussed in terms of the systematics of nuclei in this region and total Routhian surface calculations.

  14. Stimulated electroluminescence emission from n-ZnO/p-GaAs:Zn heterojunctions fabricated by electro-deposition

    SciTech Connect (OSTI)

    K, P.; Tekmen, S.; Baltakesmez, A.; Tzemen, S.; Meral, K.; Onganer, Y.

    2013-12-15

    In this study, n-ZnO thin films were electrochemically deposited on p-GaAs:Zn substrates. The XRD results of ZnO thin films deposited on p-GaAs:Zn substrates at potentials varied from ?0.9 V to ?1.2 V show a strong c-axis (002) orientation and homogeneity. The current-voltage characteristics exhibit rectification, proving a low turn-on voltage and an ideality factor of 4.71. The n-ZnO/p-GaAs heterostructures show blue-white electroluminescence (EL) emission, which is composed of broad emission bands. In addition to these broad peaks, stimulated emission also appear on the top of the spectra due to the multiple reflections from the mirror like surfaces of ZnO-ZnO and ZnO-GaAs interfaces. Besides, three broad photoluminescence (PL) emission peaks have also been observed peaking at respectively around 3.36 eV, 3.28 eV and 3.07 eV generally attributed to the near bandedge emission, the residual donor level and deep level emission due to the localized defects, respectively.

  15. 328Post shot analysis of plasma conditions of Au Spheres illuminated...

    Office of Scientific and Technical Information (OSTI)

    Conference: 328Post shot analysis of plasma conditions of Au Spheres illuminated by the URLLE Omega laser, as measured via Thomson scattering Citation Details In-Document Search...

  16. 328Post shot analysis of plasma conditions of Au Spheres illuminated...

    Office of Scientific and Technical Information (OSTI)

    Au Spheres illuminated by the URLLE Omega laser, as measured via Thomson scattering ... Subject: 71 CLASSICAL AND QUANTUMM MECHANICS, GENERAL PHYSICS Word Cloud More Like This ...

  17. Gold-rich R3Au7Sn3: Establishing the interdependence between electronic

    Office of Scientific and Technical Information (OSTI)

    features and physical properties (Journal Article) | SciTech Connect Gold-rich R3Au7Sn3: Establishing the interdependence between electronic features and physical properties Citation Details In-Document Search This content will become publicly available on May 18, 2016 Title: Gold-rich R3Au7Sn3: Establishing the interdependence between electronic features and physical properties Two new polar intermetallic compounds Y3Au7Sn3 (I) and Gd3Au7Sn3 (II) have been synthesized and their structures

  18. Examination of charge transfer in Au/YSZ for high-temperature optical gas sensing

    SciTech Connect (OSTI)

    Baltrus, John P.; Ohodnicki, Paul R.

    2014-01-01

    Au-nanoparticle incorporated oxide thin film materials demonstrate significant promise as functionalsensor materials for high temperature optical gas sensing in severe environments relevant for fossil andnuclear based power generation. The Au/yttria-stabilized zirconia (YSZ) system has been extensivelystudied in the literature and serves as a model system for fundamental investigations that seek to betterunderstand the mechanistic origin of the plasmonic gas sensing response. In this work, X-ray photoelec-tron spectroscopy techniques are applied to Au/YSZ films in an attempt to provide further experimentalevidence for a proposed sensing mechanism involving a change in free carrier density of Au nanoparticles due to charge transfer.

  19. Microwave Synthesis of Au?Rh Core?Shell Nanoparticles and Implications...

    Office of Scientific and Technical Information (OSTI)

    Microwave Synthesis of Au?Rh Core?Shell Nanoparticles and Implications of the Shell Thickness in Hydrogenation Catalysis Citation Details In-Document Search Title: Microwave ...

  20. ZnO/Cu(InGa)Se.sub.2 solar cells prepared by vapor phase Zn doping

    DOE Patents [OSTI]

    Ramanathan, Kannan; Hasoon, Falah S.; Asher, Sarah E.; Dolan, James; Keane, James C.

    2007-02-20

    A process for making a thin film ZnO/Cu(InGa)Se.sub.2 solar cell without depositing a buffer layer and by Zn doping from a vapor phase, comprising: depositing Cu(InGa)Se.sub.2 layer on a metal back contact deposited on a glass substrate; heating the Cu(InGa)Se.sub.2 layer on the metal back contact on the glass substrate to a temperature range between about 100.degree. C. to about 250.degree. C.; subjecting the heated layer of Cu(InGa)Se.sub.2 to an evaporant species from a Zn compound; and sputter depositing ZnO on the Zn compound evaporant species treated layer of Cu(InGa)Se.sub.2.

  1. RG&E (Gas)- Residential Efficiency Program

    Broader source: Energy.gov [DOE]

    An online rebate reservation system is used to ensure program funds are not overextended. All new rebate requests must first be reserved in the rebate reservation system to be valid. The program...

  2. J rg Calefice | Open Energy Information

    Open Energy Info (EERE)

    it. Jrg Calefice is a company located in Germany . References " Jrg Calefice" Retrieved from "http:en.openei.orgwindex.php?titleJrgCalefice&oldid782975...

  3. Air-gap gating of MgZnO/ZnO heterostructures

    SciTech Connect (OSTI)

    Tambo, T.; Falson, J. Kozuka, Y.; Maryenko, D.; Tsukazaki, A.; Kawasaki, M.

    2014-08-28

    The adaptation of air-gap dielectric based field-effect transistor technology to controlling the MgZnO/ZnO heterointerface confined two-dimensional electron system (2DES) is reported. We find it possible to tune the charge density of the 2DES via a gate electrode spatially separated from the heterostructure surface by a distance of 5??m. Under static gating, the observation of the quantum Hall effect suggests that the charge carrier density remains homogeneous, with the 2DES in the 3?mm square sample the sole conductor. The availability of this technology enables the exploration of the charge carrier density degree of freedom in the pristine sample limit.

  4. Identified Hadron Compositions in p+p and Au+Au Collisions at High Transverse Momenta at ?(sNN)=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alakhverdyants, A. V.; Alekseev, I.; Alford, J.; Anderson, B. D.; Anson, C. D.; Arkhipkin, D.; Averichev, G. S.; et al

    2012-02-14

    We report transverse momentum (pT?15 GeV/c) spectra of ?, K, p, p?, K0S, and ?? at midrapidity in p+p and Au+Au collisions at ?(sNN)=200 GeV. Perturbative QCD calculations are consistent with ? spectra in p+p collisions but do not reproduce K and p(p?) spectra. The observed decreasing antiparticle-to-particle ratios with increasing pT provide experimental evidence for varying quark and gluon jet contributions to high-pT hadron yields. The relative hadron abundances in Au+Au at pT ? 8 GeV/c are measured to be similar to the p+p results, despite the expected Casimir effect for parton energy loss.

  5. Identified Hadron Compositions in p+p and Au+Au Collisions at High Transverse Momenta at √(sNN)=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alakhverdyants, A. V.; Alekseev, I.; Alford, J.; Anderson, B. D.; Anson, C. D.; Arkhipkin, D.; Averichev, G. S.; et al

    2012-02-14

    We report transverse momentum (pT≤15 GeV/c) spectra of π±, K±, p, p̄, K0S, and ρ⁰ at midrapidity in p+p and Au+Au collisions at √(sNN)=200 GeV. Perturbative QCD calculations are consistent with π± spectra in p+p collisions but do not reproduce K and p(p̄) spectra. The observed decreasing antiparticle-to-particle ratios with increasing pT provide experimental evidence for varying quark and gluon jet contributions to high-pT hadron yields. The relative hadron abundances in Au+Au at pT ≳ 8 GeV/c are measured to be similar to the p+p results, despite the expected Casimir effect for parton energy loss.

  6. Mechanism of ternary breakup in the reaction {sup 197}Au+{sup 197}Au at 15A MeV

    SciTech Connect (OSTI)

    Tian Junlong; Wu Xizhen; Li Zhuxia; Zhao Kai; Zhang Yingxun; Li Xian; Yan Shiwei

    2010-11-15

    The mechanism of the ternary breakup of the very heavy system {sup 197}Au+{sup 197}Au at an energy of 15A MeV has been studied by using the improved quantum molecular dynamics model. The calculation results reproduce the characteristic features in ternary breakup events explored in a series of experiments; i.e., the masses of three fragments are comparable in size and the very fast, nearly collinear breakup of the colliding system is dominant in the ternary breakup events. Further, the evolution of the time scales of different ternary reaction modes and the behavior of mass distributions of three fragments with impact parameters are studied. The time evolution of the configurations of the composite reaction systems is also studied. We find that for most of the ternary breakup events with the features found in the experiments, the configuration of the composite system has two-preformed-neck shape. The study shows that those ternary breakup events having the characteristic features found in the experiments happen at relatively small impact parameter reactions, but not at peripheral reactions. The ternary breakup reaction at peripheral reactions belongs to binary breakup with a neck emission.

  7. Thermal nature of charmonium transverse momentum spectra from Au-Au collisions at the highest energies available at the BNL Relativistic Heavy Ion Collider (RHIC)

    SciTech Connect (OSTI)

    Akkelin, S. V.; Sinyukov, Yu. M.; Braun-Munzinger, P.

    2010-03-15

    We analyze the transverse momentum distribution of J/psi mesons produced in Au+Au collisions at the top RHIC energy within a blast-wave model that accounts for a possible inhomogeneity of the charmonium distribution and/or flow fluctuations. The results imply that the transverse momentum spectra of J/psi, phi, and OMEGA hadrons measured at the RHIC can be described well if kinetic freeze-out takes place just after chemical freeze-out for these particles.

  8. Electrodeposition of zinc on glassy carbon from ZnCl/sub 2/ and ZnBr/sub 2/ electrolytes

    SciTech Connect (OSTI)

    McBreen, J.; Gannon, E.

    1983-08-01

    The initial stages of the electrocrystallization of zinc from 3M ZnCl/sub 2/ and 3M ZnBr/sub 2/ on glassy carbon has been investigated using cyclic voltametry, the potential step method, and scanning electron microscopy. Particular care was taken to ensure electrolyte purity and to eliminate resistance effects in the measurements. The nucleation overvoltage in 3M ZnCl/sub 2/ was about 17 and about 12 mV in 3M ZnBr/sub 2/. In 3M ZnCl/sub 2/, the current transients from the potential step measurements could be fitted to a simple model that assumes instantaneous nucleation followed by growth of three dimensional centers under kinetic control. A similar mechanism is operative for 3M ZnBr/sub 2/ at low overvoltages. At higher overvoltages, the current transient is governed by mixed kinetic and diffusion control and cannot be fitted to a simple model. The lower nucleation overvoltage and the faster kinetics in 3M ZnBr/sub 2/ is correlated with the lower stability constants for the zinc bromide complexes. Erroneous results are obtained when resistance effects are not accounted for.

  9. Multifunctional hybrid Fe2O3-Au nanoparticles for efficient plasmonic heating

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Murph, Simona E. Hunyadi; Larsen, George K.; Lascola, Robert J.

    2016-02-20

    We describe the synthesis and properties of multifunctional Fe2O3-Au nanoparticles produced by a wet chemical approach and investigate their photothermal properties using laser irradiation. Here, the composite Fe2O3-Au nanoparticles retain the properties of both materials, creating a multifunctional structure with excellent magnetic and plasmonic properties.

  10. Interface Reactions and Electrical Characteristics of Au/GaSb Contacts

    SciTech Connect (OSTI)

    H. Ehsani; R.J. Gutmann; G.W. Charache

    2000-07-07

    The reaction of Au with GaSb occurs at a relatively low temperature (100 C). Upon annealing, a AuSb{sub 2} compound and several Au-Ga phases are produced. Phase transitions occur toward higher Ga concentration with increasing annealing temperatures. Furthermore, the depth of the contact also increases with increased annealing temperature. They found that the AuSb{sub 2} compound forms on the GaSb surface, with the compound crystal partially ordered with respect to the substrate. The transition of Schottky- to ohmic-contact behavior in Au/n-type GaSb occurs simultaneously with the formation of the AuGa compound at about a 250 C annealing temperature. This ohmic contact forms without the segregation of dopants at the metallic compound/GaSb interface. Therefore it is postulated that transition from Schottky- to ohmic-contact behavior is obtained through a series of tunneling transitions of electrons through defects in the depletion region in the Au/n-type GaSb contacts. Contact resistivities of 6-7 x 10{sup -6} {Omega}-cm{sup 2} were obtained with the annealing temperature between 300 and 350 C for 30 seconds. In Au/p-type GaSb contacts, the resistivity was independent of the annealing temperature. This suggested that the carrier transport in p-type contact dominated by thermionic emission.

  11. The low-temperature form of calcium gold stannide, CaAuSn

    SciTech Connect (OSTI)

    Lin, Qisheng; Corbett, John D.

    2014-07-19

    The EuAuGe-type CaAuSn phase has been synthesized and single-crystal X-ray diffraction analysis reveals that it has an orthorhombic symmetry (space group Imm2), with a = 4.5261 (7) , b = 7.1356 (11) and c = 7.8147 (11) . The structure features puckered layers that are connected by homoatomic Au-Au and Sn-Sn interlayer bonds. This structure is one of the two parent structures of its high-temperature polymorph (ca 873 K), which is an intergrowth structure of the EuAuGe- and SrMgSi-type structures in a 2:3 ratio.

  12. Determination of the number density of excited and ground Zn atoms during rf magnetron sputtering of ZnO target

    SciTech Connect (OSTI)

    Maaloul, L.; Gangwar, R. K.; Stafford, L.

    2015-07-15

    A combination of optical absorption spectroscopy (OAS) and optical emission spectroscopy measurements was used to monitor the number density of Zn atoms in excited 4s4p ({sup 3}P{sub 2} and {sup 3}P{sub 0}) metastable states as well as in ground 4s{sup 2} ({sup 1}S{sub 0}) state in a 5 mTorr Ar radio-frequency (RF) magnetron sputtering plasma used for the deposition of ZnO-based thin films. OAS measurements revealed an increase by about one order of magnitude of Zn {sup 3}P{sub 2} and {sup 3}P{sub 0} metastable atoms by varying the self-bias voltage on the ZnO target from ?115 to ?300?V. Over the whole range of experimental conditions investigated, the triplet-to-singlet metastable density ratio was 5??1, which matches the statistical weight ratio of these states in Boltzmann equilibrium. Construction of a Boltzmann plot using all Zn I emission lines in the 200500?nm revealed a constant excitation temperature of 0.33??0.04?eV. In combination with measured populations of Zn {sup 3}P{sub 2} and {sup 3}P{sub 0} metastable atoms, this temperature was used to extrapolate the absolute number density of ground state Zn atoms. The results were found to be in excellent agreement with those obtained previously by actinometry on Zn atoms using Ar as the actinometer gas [L. Maaloul and L. Stafford, J. Vac. Sci. Technol., A 31, 061306 (2013)]. This set of data was then correlated to spectroscopic ellipsometry measurements of the deposition rate of Zn atoms on a Si substrate positioned at 12?cm away from the ZnO target. The deposition rate scaled linearly with the number density of Zn atoms. In sharp contrast with previous studies on RF magnetron sputtering of Cu targets, these findings indicate that metastable atoms play a negligible role on the plasma deposition dynamics of Zn-based coatings.

  13. Nuclear matter effects on J/? production in asymmetric Cu+Au collisions at ?SNN=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.

    2014-12-18

    We report on J/? production from asymmetric Cu+Au heavy-ion collisions at ?sNN =200 GeV at the Relativistic Heavy Ion Collider at both forward (Cu-going direction) and backward (Au-going direction) rapidities. The nuclear modification of J/? yields in Cu+Au collisions in the Au-going direction is found to be comparable to that in Au+Au collisions when plotted as a function of the number of participating nucleons. In the Cu-going direction, J/? production shows a stronger suppression. This difference is comparable in magnitude and has the same sign as the difference expected from shadowing effects due to stronger low-x gluon suppression in themorelarger Au nucleus. The relative suppression is opposite to that expected from hot nuclear matter dissociation, since a higher energy density is expected in the Au-going direction.less

  14. Evolution of quasiparticle states with and without a Zn impurity...

    Office of Scientific and Technical Information (OSTI)

    Title: Evolution of quasiparticle states with and without a Zn impurity in doped 122 iron pnictides Authors: Pan, Lihua ; Li, Jian ; Tai, Yuan-Yen ; Graf, Matthias J. ; Zhu, ...

  15. Selective Zn2+ sensing using a modified bipyridine complex

    SciTech Connect (OSTI)

    Akula, Mahesh; El-Khoury, Patrick Z.; Nag, Amit; Bhattacharya, Anupam

    2014-06-01

    A novel fluorescent Zn2+ sensor, 4-(pyridin-2-yl)-3H-pyrrolo[2, 3-c]quinoline (PPQ), has been designed, synthesized and characterized by various spectroscopic and analytical techniques. PPQ exhibits superior detection of Zn2+ in the presence of various cations tested, including Cd2+ and Hg2+, via wavelength shifted fluorescence intensity enhancement. The emission wavelength at 500 nm, ensures probable noninterference from cellular components while performing biological applications.

  16. High efficient ZnO nanowalnuts photocatalyst: A case study

    SciTech Connect (OSTI)

    Yan, Feng; Zhang, Siwen; Liu, Yang; Liu, Hongfeng; Qu, Fengyu; Cai, Xue; Wu, Xiang

    2014-11-15

    Highlights: Walnut-like ZnO nanostructures are synthesized through a facile hydrothermal method. Morphologies and microstructures of the as-obtained ZnO products were investigated. The photocatalytic results demonstrate that methyl orange (MO) aqueous solution can be degraded over 97% after 45 min under UV light irradiation. - Abstract: Walnut-like ZnO nanostructures are successfully synthesized through a facile hydrothermal method. The structure and morphology of the as-synthesized products were characterized by X-ray diffraction (XRD) and scanning electron microscope (SEM). The photocatalytic properties of ZnO nanowalnuts are investigated by photodegradating several organic dyes, such as Congo red (CR), methyl orange (MO) and eosin red aqueous solutions under UV irradiation, respectively. The results demonstrate that methyl orange (MO) aqueous solution can be degraded over 97% after 45 min under UV light irradiation. In addition, eosin red and Congo red (CR) aqueous solution degradation experiments are also conducted in the same condition, respectively. It showed that ZnO nanowalnuts represent high photocatalytic activities with a degradation efficiency of 87% for CR with 115 min of irradiation and 97% for eosin red with 55 min of irradiation. The reported ZnO products may be promising candidates as the photocatalysts in waste water treatment.

  17. Whitfield Solar Ltd | Open Energy Information

    Open Energy Info (EERE)

    Kingdom Zip: RG6 6AU Sector: Renewable Energy, Solar Product: Developing solar photovoltaic concentrators aimed at generating clean renewable energy for the world market....

  18. Measurements of dielectron production in Au + Au collisions at sNN=200 GeV from the STAR experiment

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; et al

    2015-08-24

    We report on measurements of dielectron (e⁺e⁻) production in Au+Au collisions at a center-of-mass energy of 200 GeV per nucleon-nucleon pair using the STAR detector at RHIC. Systematic measurements of the dielectron yield as a function of transverse momentum (pT) and collision centrality show an enhancement compared to a cocktail simulation of hadronic sources in the low invariant-mass region (Mee < 1GeV/c2). This enhancement cannot be reproduced by the ρ-meson vacuum spectral function. In minimum-bias collisions, in the invariant-mass range of 0.30 – 0.76GeV/c², integrated over the full pT acceptance, the enhancement factor is 1.76±0.06(stat.)±0.26(sys.)±0.29(cocktail). The enhancement factor exhibits weakmore » centrality and pT dependence in STAR's accessible kinematic regions, while the excess yield in this invariant-mass region as a function of the number of participating nucleons follows a power-law shape with a power of 1.44±0.10. Models that assume an in-medium broadening of the ρ-meson spectral function consistently describe the observed excess in these measurements. In addition, we report on measurements of ω- and Φ-meson production through their e⁺e⁻ decay channel. These measurements show good agreement with Tsallis blast-wave model predictions, as well as, in the case of the Φ meson, results through its K⁺K⁻ decay channel. In the intermediate invariant-mass region (1.1 < Mee < 3GeV/c²), we investigate the spectral shapes from different collision centralities. Physics implications for possible in-medium modification of charmed hadron production and other physics sources are discussed.« less

  19. Effects of the proximity of Au nanoparticles on magnetic and transport properties of LSMO ultrathin layers

    SciTech Connect (OSTI)

    Brivio, S.; Magen Dominguez, Cesar; Sidorenko, A; Petti, D.; Cantoni, M.; Finazzi, M; Ciccacci, F; Renzi, R; Varela del Arco, Maria; Picozzi, S.; Bertacco, R.

    2010-01-01

    The effect of the proximity of Au nanoparticles on the transport and magnetic properties of ultrathin La2/3Sr1/3MnO3 (LSMO) films has been investigated. We find a huge increase of the resistivity of the manganite (by four orders of magnitude for a Au nominal thickness of 2 nm), which is accompanied by a strong decrease of the Curie temperature. A combined scanning transmission electron microscopy and electron energy loss spectroscopy (STEM-EELS) analysis shows that interfaces are coherent and atomically sharp, and that the structural quality is very high. On the other end, a strong reduction of the Mn oxidation state is seen upon Au capping. NMR data show a strong attenuation of the double exchange signal upon formation of Au nanoparticles. Ab-initio calculations indicate a negligible influence of Au on LSMO at an ideal interface, with the LSMO surface magnetic and electronic properties essentially unchanged upon creation of the Au/LSMO interface. In view of these calculations, the experimental results cannot be explained in terms of purely electrostatic effects induced by the proximity of a noble metal. Here we propose that the main driving force underlying the observed change in physical properties is the high reactivity of Au nanoparticles which can locally pump oxygen from the manganite, thus favouring a phase separation ensuing from O inhomogeneity which deteriorates the transport and electrical properties.

  20. Glycerol Hydrogenolysis on Carbon-Supported PtRu and AuRu Bimetallic Catalysts

    SciTech Connect (OSTI)

    Maris,E.; Ketchie, W.; Murayama, M.; Davis, R.

    2007-01-01

    Bimetallic PtRu and AuRu catalysts were prepared by a surface redox method in which Pt or Au was deposited onto the surface of carbon-supported Ru nanoparticles with an average diameter of 2-3 nm. Characterization by H2 chemisorption, analytical TEM, and X-ray absorption spectroscopy at the Ru K-edge, Pt LIII-edge, and Au LIII-edge confirmed that Pt and Au were successfully deposited onto Ru without disrupting the Ru particles. Depression of the ethane hydrogenolysis rate over Ru after addition of Au provided further evidence of successful deposition. The bimetallic particles were subsequently evaluated in the aqueous-phase hydrogenolysis of glycerol at 473 K and 40 bar H2 at neutral and elevated pH. Although monometallic Pt and Ru exhibited different activities and selectivities to products, the bimetallic PtRu catalyst functioned more like Ru. A similar result was obtained for the AuRu bimetallic catalyst. The PtRu catalyst appeared to be stable under the aqueous-phase reaction conditions, whereas the AuRu catalyst was altered by the harsh conditions. Gold appeared to migrate off the Ru and agglomerate on the carbon during the reaction in liquid water.

  1. Synthesis of reduced graphene oxide/ZnO nanorods composites on graphene coated PET flexible substrates

    SciTech Connect (OSTI)

    Huang, Lei, E-mail: leihuang@shnu.edu.cn; Guo, Guilue; Liu, Yang; Chang, Quanhong; Shi, Wangzhou

    2013-10-15

    Graphical abstract: - Highlights: ZnO nanorods synthesized on CVD-graphene and rGO surfaces, respectively. ZnO/CVD-graphene and ZnO/rGO form a distinctive porous 3D structure. rGO/ZnO nanostructures possibility in energy storage devices. - Abstract: In this work, reduced graphene oxide (rGO)/ZnO nanorods composites were synthesized on graphene coated PET flexible substrates. Both chemical vapor deposition (CVD) graphene and reduced graphene oxide (rGO) films were prepared following by hydrothermal growth of vertical aligned ZnO nanorods. Reduced graphene sheets were then spun coated on the ZnO materials to form a three dimensional (3D) porous nanostructure. The morphologies of the ZnO/CVD graphene and ZnO/rGO were investigated by SEM, which shows that the ZnO nanorods grown on rGO are larger in diameters and have lower density compared with those grown on CVD graphene substrate. As a result of fact, the rough surface of nano-scale ZnO on rGO film allows rGO droplets to seep into the large voids of ZnO nanorods, then to form the rGO/ZnO hierarchical structure. By comparison of the different results, we conclude that rGO/ZnO 3D nanostructure is more desirable for the application of energy storage devices.

  2. MeV Au Ion Irradiation in Silicon and Nanocrystalline Zirconia Film Deposited on Silicon Substrate

    SciTech Connect (OSTI)

    Chang, Yongqin; Zhang, Yanwen; Zhu, Zihua; Edmondson, Philip D.; Weber, William J.

    2012-09-01

    Nanocrystalline zirconia (ZrO2) film with thickness of 305 nm deposited on a silicon substrate was irradiated with 2 MeV Au ions to different fluences at different temperatures. The implanted ion profiles were measured by time-of-flight secondary ion mass spectrometry (ToF-SIMS) and simulated using the stopping and range of ions inmatter (SRIM) code, respectively. The experimental results show that a large fraction of the incident Au ions penetrates through the ZrO2 film and are deposited into the Si substrate. At the interface of ZrO2 and Si, a sudden decrease of Au concentration is observed due to the much larger scattering cross section of Au in ZrO2 than in Si. The depth profile of the Au ions is measured in both the ZrO2 films and the Si substrates, and the results show that the Au distribution profiles do not exhibit a dependence on irradiation temperature. The local Au concentration increases proportionally with the irradiation fluence, suggesting that no thermal or irradiation-induced redistribution of the implanted Au ions. However, the Au concentration in the ZrO2 films, as determined by SIMS, is considerably lower than that predicted by the SRIM results, and the penetration depth from the SIMS measurements is much deeper than that from the SRIM predictions. These observations can be explained by an overestimation of the electronic stopping power, used in the SRIM program, for heavy incident ions in light targets. Over-estimation of the heavy-ion electronic stopping power may lead to errors in local dose calculation and underestimation of the projected range of slow heavy ions in targets that contain light elements. A quick estimate based on a reduced target density may be used to compensate the overestimation of the electronic stopping power in the SRIM program to provide better ion profile prediction.

  3. MeV Au Ion Irradiation in Silicon and Nanocrystalline Zirconia Film Deposited on Silicon Substrate

    SciTech Connect (OSTI)

    Chang, Yongqin; Zhang, Yanwen; Zhu, Zihua; Edmondson, Dr. Philip; Weber, William J

    2012-01-01

    Nanocrystalline zirconia (ZrO2) film with thickness of 305 nm deposited on a silicon substrate was irradiated with 2 MeV Au ions to different fluences at different temperatures. The implanted ion profiles were measured by time-of-flight secondary ion mass spectrometry (ToF-SIMS) and simulated using the stopping and range of ions in matter (SRIM) code, respectively. The experimental results show that a large fraction of the incident Au ions penetrates through the ZrO2 film and are deposited into the Si substrate. At the interface of ZrO2 and Si, a sudden decrease of Au concentration is observed due to the much larger scattering cross section of Au in ZrO2 than in Si. The depth profile of the Au ions is measured in both the ZrO2 films and the Si substrates, and the results show that the Au distribution profiles do not exhibit a dependence on irradiation temperature. The local Au concentration increases proportionally with the irradiation fluence, suggesting that no thermal or irradiation-induced redistribution of the implanted Au ions. However, the Au concentration in the ZrO2 films, as determined by SIMS, is considerably lower than that predicted by the SRIM results, and the penetration depth from the SIMS measurements is much deeper than that from the SRIM predictions. These observations can be explained by an overestimation of the electronic stopping power, used in the SRIM program, for heavy incident ions in light targets. Overestimation of the heavy-ion electronic stopping power may lead to errors in local dose calculation and underestimation of the projected range of slow heavy ions in targets that contain light elements. A quick estimate based on a reduced target density may be used to compensate the overestimation of the electronic stopping power in the SRIM program to provide better ion profile prediction.

  4. Improve the open-circuit voltage of ZnO solar cells with inserting ZnS layers by two ways

    SciTech Connect (OSTI)

    Sun, Yunfei; Yang, Jinghai; Yang, Lili; Cao, Jian; Gao, Ming; Zhang, Zhiqiang; Wang, Zhe; Song, Hang

    2013-04-15

    ZnS NPs layers were deposited on ZnO NRs by two different ways. One is spin coating; the other is successive ionic layer adsorption and reaction (SILAR) method. The ZnO NRs/ZnS NPs composites were verified by X-ray diffraction, X-ray photoelectron spectroscopy, and UVvisible spectrophotometer; their morphologies and thicknesses were examined by scanning electron microscopic and transmission electron microscopic images. The CdS quantum dot sensitized solar cells (QDSSCs) were constructed using ZnO NRs/ZnS NPs composites as photoanode and their photovoltaic characteristic was studied by JV curves. The results indicated that the way of SILAR is more beneficial for retarding the back transfer of electrons to CdS and electrolyte than spin coating method. The open-circuit voltage increased to 0.59 V by introducing a ZnS layer through SILAR method. When ZnS NPs layer was deposited for 10 times on ZnO NRs, the conversion efficiency of QDSSC shows ?3.3 folds increments of as-synthesized ZnO solar cell. - Graphical abstract: When ZnO nanorods were deposited by ZnS for 10 times, the conversion efficiency of QDSSC shows ?3.3 folds increments of as-synthesized ZnO solar cell. Highlights: ? ZnS layers were deposited with two different ways. ? The way of SILAR is more beneficial for retarding the back transfer of electrons. ? The open-circuit voltage increased to 0.59 V by introducing a ZnS layer through SILAR method.

  5. Enhanced efficiency of graphene-silicon Schottky junction solar cells by doping with Au nanoparticles

    SciTech Connect (OSTI)

    Liu, X.; Zhang, X. W. Yin, Z. G.; Meng, J. H.; Gao, H. L.; Zhang, L. Q.; Zhao, Y. J.; Wang, H. L.

    2014-11-03

    We have reported a method to enhance the performance of graphene-Si (Gr/Si) Schottky junction solar cells by introducing Au nanoparticles (NPs) onto the monolayer graphene and few-layer graphene. The electron transfer between Au NPs and graphene leads to the increased work function and enhanced electrical conductivity of graphene, resulting in a remarkable improvement of device efficiency. By optimizing the initial thickness of Au layers, the power conversion efficiency of Gr/Si solar cells can be increased by more than three times, with a maximum value of 7.34%. These results show a route for fabricating efficient and stable Gr/Si solar cells.

  6. High-frequency signal transmission through single-atom contacts of Au and

    Office of Scientific and Technical Information (OSTI)

    Pt (Journal Article) | SciTech Connect High-frequency signal transmission through single-atom contacts of Au and Pt Citation Details In-Document Search Title: High-frequency signal transmission through single-atom contacts of Au and Pt Signal transmission through atom-sized contacts of Au and Pt has been studied at room temperature for frequencies from 9 kHz to 1 GHz and for conductances (1-10)G{sub 0} (G≡2e{sup 2}/h is the quantum unit of conductance). We measured the frequency spectrum

  7. Growth and characterization of AuN films through the pulsed arc technique

    SciTech Connect (OSTI)

    Devia, A. Castillo, H.A.; Benavides, V.J.; Arango, Y.C.; Quintero, J.H.

    2008-02-15

    AuN films were produced through the PAPVD (Plasma Assisted Physics Vapor Deposition) method, using the pulsed arc technique in a mono-vaporizer noncommercial system, which consists of a chamber with two faced electrodes, and a power controlled system. In order to obtain the films, an Au Target with 99% purity and stainless steel 304 were used as target and substrate respectively. Nitrogen was injected in gaseous phase at 2.3 mbar pressure, and a discharge of 160 V was performed, supplied by the power controlled source. Au4f and N1s narrow spectra were analyzed using XPS (X-ray Photoelectron Spectroscopy)

  8. CO Oxidation at the Interface of Au Nanoclusters and the Stepped-CeO2(111) Surface

    SciTech Connect (OSTI)

    Kim H. Y.; Henkelman, G.

    2013-01-14

    To reveal the richer chemistry of CO oxidation by CeO2 supported Au Nanoclusters NCs)/Nanoparticles, we design a Au12 supported on a stepped-CeO2 model (Au/CeO2-step) and study various kinds of CO oxidation mechanisms at the interface of the Au/CeO2-step: oxygen spillover from the CeO2 to the Au NCs;2 CO oxidation by the O2 bound to the Au-Ce3+ interface;3 and CO oxidation by the Mars-van Krevelen (M-vK) mechanism.4 DFT+U calculations show that lattice oxygen at the CeO2 step edge oxidizes CO bound to Au NCs by the M-vK mechanism. CO2 desorption determines the rate of CO oxidation and the vacancy formation energy (Evac) is a reactivity descriptor for CO oxidation. The maximum Evac that insures spontaneous CO2 production is higher for the Au/CeO2-step than the Au/CeO2-surface suggesting that the CeO2-step is a better supporting material than the CeO2-surface for CO oxidation by the Au/CeO2. Our results also suggest that for CO oxidation by Au NCs supported on nano- or meso-structured CeO2, which is the case of industrial catalysts, the M-vK mechanism accounts for a large portion of the total activity.

  9. Efficient electrocatalytic conversion of CO.sub.2 to CO using ligand-protected Au.sub.25 clusters

    DOE Patents [OSTI]

    Kauffman, Douglas; Matranga, Christopher; Qian, Huifeng; Jin, Rongchao; Alfonso, Dominic R.

    2015-09-22

    An apparatus and method for CO.sub.2 reduction using an Au.sub.25 electrode. The Au.sub.25 electrode is comprised of ligand-protected Au.sub.25 having a structure comprising an icosahedral core of 13 atoms surrounded by a shell of six semi-ring structures bonded to the core of 13 atoms, where each semi-ring structure is typically --SR--Au--SR--Au--SR or --SeR--Au--SeR--Au--SeR. The 12 semi-ring gold atoms within the six semi-ring structures are stellated on 12 of the 20 faces of the icosahedron of the Au.sub.13 core, and organic ligand --SR or --SeR groups are bonded to the Au.sub.13 core with sulfur or selenium atoms. The Au.sub.25 electrode and a counter-electrode are in contact with an electrolyte comprising CO.sub.2 and H+, and a potential of at least -0.1 volts is applied from the Au.sub.25 electrode to the counter-electrode.

  10. Systematic study of azimuthal anisotropy in Cu + Cu and Au + Au collisions at √sNN = 62.4 and 200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.

    2015-09-23

    We have studied the dependence of azimuthal anisotropy v2 for inclusive and identified charged hadrons in Au+Au and Cu+Cu collisions on collision energy, species, and centrality. The values of v2 as a function of transverse momentum pT and centrality in Au+Au collisions at √sNN=200 and 62.4 GeV are the same within uncertainties. However, in Cu+Cu collisions we observe a decrease in v2 values as the collision energy is reduced from 200 to 62.4 GeV. The decrease is larger in the more peripheral collisions. By examining both Au+Au and Cu+Cu collisions we find that v2 depends both on eccentricity and themore » number of participants, Npart. We observe that v2 divided by eccentricity (ε) monotonically increases with Npart and scales as N1/3part. Thus, the Cu+Cu data at 62.4 GeV falls below the other scaled v2 data. For identified hadrons, v2 divided by the number of constituent quarks nq is independent of hadron species as a function of transverse kinetic energy KET=mT–m between 0.1T/nq<1 GeV. Combining all of the above scaling and normalizations, we observe a near-universal scaling, with the exception of the Cu+Cu data at 62.4 GeV, of v2/(nq∙ε∙N1/3part) vs KET/nq for all measured particles.« less

  11. Gold-rich R3Au7Sn3: Establishing the interdependence between electronic features and physical properties

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Provino, Alessia; Steinberg, Simon; Smetana, Volodymyr; Kulkarni, Ruta; Dhar, Sudesh K.; Manfrinetti, Pietro; Mudring, Anja -Verena

    2015-05-18

    Two new polar intermetallic compounds Y3Au7Sn3 (I) and Gd3Au7Sn3 (II) have been synthesized and their structures have been determined by single crystal X-ray diffraction (P63/m; Z = 2, a = 8.148(1)/8.185(3), and c = 9.394(2)/9.415(3) for I/II, respectively). They can formally be assigned to the Cu10Sn3 type and consist of parallel slabs of Sn centered, edge-sharing trigonal Au6 antiprisms connected through R3 (R = Y, Gd) triangles. Additional Au atoms reside in the centres of trigonal Au6 prisms forming Au@Au6 clusters with Au–Au distances of 2.906–2.960 Å, while the R–R contacts in the R3 groups are considerably larger than themore » sums of their metallic radii. These exclusive structural arrangements provide alluring systems to study the synergism between strongly correlated systems, particularly, those in the structure of (II), and extensive polar intermetallic contacts, which has been inspected by measurements of the magnetic properties, heat capacities and electrical conductivities of both compounds. Gd3Au7Sn3 shows an antiferromagnetic ordering at 13 K, while Y3Au7Sn3 is a Pauli paramagnet and a downward curvature in its electrical resistivity at about 1.9 K points to a superconducting transition. DFT-based band structure calculations on R3Au7Sn3 (R = Y, Gd) account for the results of the conductivity measurements and different spin ordering models of (II) provide conclusive hints about its magnetic structure. As a result, chemical bonding analyses of both compounds indicate that the vast majority of bonding originates from the heteroatomic Au–Gd and Au–Sn interactions, while homoatomic Au–Au bonding is evident within the Au@Au6 clusters.« less

  12. Enhanced photocatalytic performance of Ga{sup 3+}-doped ZnO

    SciTech Connect (OSTI)

    Zhong, Jun Bo; Li, Jian Zhang; Zeng, Jun; He, Xi Yang; Hu, Wei; Shen, Yue Cheng

    2012-11-15

    Graphical abstract: In general, the strong SPS response corresponds to the high separation rate of photoinduced charge carriers on the basis of the SPS principle. The photovoltage of Ga{sup 3+}-doped ZnO is higher than that of ZnO, thus it can be confirmed that the Ga{sup 3+}-doped ZnO has a higher charge separation rate than the ZnO sample. Among these samples, 1%Ga has highest charge separation rate. Display Omitted Highlights: ? Ga{sup 3+} has been employed to dope ZnO photocatalyst. ? Ga{sup 3+} increases the BET surface area and changes the morphology of ZnO. ? The photoinduced charge separation rate has been enhanced. ? The photocatalytic activity has been greatly promoted. -- Abstract: ZnO and Ga{sup 3+}-doped ZnO with different molar ratio of Ga/Zn (1%, 2% and 3%) were prepared by a parallel flow precipitation method. The photocatalysts prepared were characterized by BET surface area, X-ray diffraction (XRD), UV/vis diffuse reflectance spectroscopy (DRS), scanning electron microscope (SEM) and surface photovoltage spectroscopy (SPS), respectively. The results show that doping Ga{sup 3+} into ZnO increases the BET surface area. The XRD spectra of the photocatalysts calcined at 573 K show only the characteristic peaks of wurtzite-type. Ga{sup 3+}-doped ZnO absorbs much more light than ZnO in the visible light region. Doping Ga{sup 3+} into ZnO greatly changes the morphology of ZnO and enhances the photoinduced charge separation rate. The photocatalytic activity of ZnO and Ga{sup 3+}-doped ZnO for decolorization of methyl orange (MO) solution was evaluated, of all the photocatalysts prepared, the Ga{sup 3+}-doped ZnO with 1% possesses the best photocatalytic activity and the possible reason was discussed.

  13. Synthesis, characterization and optical properties of hybrid PVAZnO nanocomposite: A composition dependent study

    SciTech Connect (OSTI)

    Hemalatha, K.S. [Department of Physics, Bangalore University, Bangalore 560 056, Karnataka (India); Department of Physics, Maharani's Science College for Women, Palace Road, Bangalore 560 001, Karnataka (India); Rukmani, K., E-mail: rukmani9909@yahoo.co.in [Department of Physics, Bangalore University, Bangalore 560 056, Karnataka (India); Suriyamurthy, N. [Radiological Safety Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, Tamil Nadu (India); Nagabhushana, B.M. [Department of Chemistry, M.S. Ramaiah Institute of Technology, Bangalore 560 054, Karnataka (India)

    2014-03-01

    Graphical abstract: - Highlights: ZnO nanoparticles were prepared by solution combustion method. PVAZnO nanocomposites were synthesized by solution casting method. Doped and undoped films were characterized using different techniques. Red shift in optical band gap was observed in Nanocomposite films with respect to nano ZnO. Photoluminescence intensity was found to be optimum for PVA10 mol% ZnO nanocomposite film. - Abstract: Nanocomposites of poly vinyl alcohol (PVA) and ZnO have been synthesized using the solution casting technique for different concentrations of nano ZnO powder prepared by low temperature solution combustion method. The formation of polymer nanocomposite and changes in the structural and micro structural properties of the materials were investigated by X-ray diffraction, Energy dispersive X ray spectroscopy and optical microscopy techniques (FTIR and UVVisible). The surface morphology of PVAZnO nanocomposite films were elucidated using Scanning Electron Microscopy. The optical absorption spectrum of nano ZnO shows blue shift in the optical band gap energy with respect to characteristic bulk ZnO at room temperature, whereas PVAZnO hybrid films show red shift with respect to nano ZnO. The photoluminescence studies show that the intensity of the blue emission (470 nm) varies with change in concentration of ZnO with an optimum intensity observed at 10 mol% of ZnO.

  14. Photoactivation experiment on {sup 197}Au and its implications for the dipole strength in heavy nuclei

    SciTech Connect (OSTI)

    Nair, C.; Erhard, M.; Junghans, A. R.; Bemmerer, D.; Beyer, R.; Klug, J.; Kosev, K.; Rusev, G.; Schilling, K. D.; Schwengner, R.; Wagner, A.; Grosse, E.

    2008-11-15

    The {sup 197}Au({gamma},n) reaction is used as an activation standard for photodisintegration studies on astrophysically relevant nuclei. At the bremsstrahlung facility of the superconducting electron accelerator ELBE (Electron Linear accelerator of high Brilliance and low Emittance) of Forschungszentrum Dresden-Rossendorf, photoactivation measurements on {sup 197}Au have been performed with bremsstrahlung endpoint energies from 8.0 to 15.5 MeV. The measured activation yield is compared with previous experiments as well as with calculations using Hauser-Feshbach statistical models. It is shown that the experimental data are best described by a two-Lorentzian parametrization with taking the axial deformation of {sup 197}Au into account. The experimental {sup 197}Au({gamma},n) reaction yield measured at ELBE via the photoactivation method is found to be consistent with previous experimental data using photon scattering or neutron detection methods.

  15. Effect of growth temperature on ballistic electron transport through the Au/Si(001) interface

    SciTech Connect (OSTI)

    Eckes, M. W.; Friend, B. E.; Stollenwerk, A. J.

    2014-04-28

    Ballistic electron emission spectroscopy was used to investigate electron transport through Au/Si(001) Schottky diodes grown at 35?C and 22?C. Aside from a decreased Schottky height, this small increase in temperature introduced an energy dependent scattering component, which was absent in the samples grown at 22?C. These differences may be attributed to the increased amount of Au-Si intermixing at the interface. Despite the non-epitaxial nature of the growth technique, strong evidence was found in both sets of samples that indicated the presence of a forward-focused current subject to some degree of parallel momentum conservation at the interface. This evidence was present in all samples grown at 35?C, but was only observed in those samples grown at 22?C when the Au films were 10?nm or thicker. This sensitivity to growth temperature could account for discrepancies in previous studies on Au/Si(001)

  16. Measurement of J/ψ Azimuthal Anisotropy in Au+Au Collisions at √sNN=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; et al

    2013-08-02

    The measurement of J/ψ azimuthal anisotropy is presented as a function of transverse momentum for different centralities in Au+Au collisions at √sNN>/sub>=200 GeV. The measured J/ψ elliptic flow is consistent with zero within errors for transverse momentum between 2 and 10 GeV/c. Our measurement suggests that J/ψ particles with relatively large transverse momenta are not dominantly produced by coalescence from thermalized charm quarks, when comparing to model calculations.

  17. Plexciton Dynamics: Exciton-Plasmon Coupling in a J-Aggregate-Au Nanoshell

    Office of Scientific and Technical Information (OSTI)

    Complex Provides a Mechanism for Nonlinearity (Journal Article) | SciTech Connect Journal Article: Plexciton Dynamics: Exciton-Plasmon Coupling in a J-Aggregate-Au Nanoshell Complex Provides a Mechanism for Nonlinearity Citation Details In-Document Search Title: Plexciton Dynamics: Exciton-Plasmon Coupling in a J-Aggregate-Au Nanoshell Complex Provides a Mechanism for Nonlinearity Coherently coupled plasmons and excitons give rise to new optical excitations- plexcitons - due to the strong

  18. 328Post shot analysis of plasma conditions of Au Spheres illuminated by the

    Office of Scientific and Technical Information (OSTI)

    URLLE Omega laser, as measured via Thomson scattering (Conference) | SciTech Connect Conference: 328Post shot analysis of plasma conditions of Au Spheres illuminated by the URLLE Omega laser, as measured via Thomson scattering Citation Details In-Document Search Title: 328Post shot analysis of plasma conditions of Au Spheres illuminated by the URLLE Omega laser, as measured via Thomson scattering Authors: Rosen, M D ; Ross, J S ; Scott, H A ; Landen, N ; Dewald, E ; Froula, D ; May, M ;

  19. Memorandum, AU-1 Clarification on the Drug Testing Custody and Control Form

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    for Department of Energy Contractors | Department of Energy AU-1 Clarification on the Drug Testing Custody and Control Form for Department of Energy Contractors Memorandum, AU-1 Clarification on the Drug Testing Custody and Control Form for Department of Energy Contractors May 20, 2015 Title 10 Code of Federal Regulations part 707 (10 CFR part 707), Workplace Substance Abuse Programs at DOE Sites, applies to DOE contractors and contains the drug testing requirements for their programs.10 CFR

  20. Disassembly of hot nuclear matter formed in Au-induced reactions near the Fermi energy

    SciTech Connect (OSTI)

    Delis, D.N.

    1993-09-01

    Complex fragment emission has been studied in the 60 MeV/A {sup 197}Au + {sup 12}C, {sup 27}Al, {sup 51}V, {sup nat}Cu, and {sup 197}Au reactions. Velocity spectra, angular distributions and cross sections have been constructed for each target from the inclusive data. Coincidence data including 2-, 3-, 4-, and 5-fold events have also been examined. Furthermore neutron multiplicity distributions have been obtained for the above reactions by utilizing a novel neutron calorimetric approach.

  1. Theoretical study of Ag- and Au-filled skutterudites. | Department of

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy Theoretical study of Ag- and Au-filled skutterudites. Theoretical study of Ag- and Au-filled skutterudites. Uses ab initio atomistic DFT modeling as implemented in VASP to determine theoretical values of thermoelectric properties for Ag-filled skutterudites. PDF icon stoica.pdf More Documents & Publications Thermoelectric Generator Development for Automotive Waste Heat Recovery Recent Progress in the Development of N-type Skutterudites Advanced Thermoelectric Materials and

  2. Low dark current and high speed ZnO metalsemiconductormetal photodetector on SiO{sub 2}/Si substrate

    SciTech Connect (OSTI)

    al??kan, Deniz; Btn, Bayram; ak?r, M. Cihan; zcan, ?adan; zbay, Ekmel

    2014-10-20

    ZnO thin films are deposited by radio-frequency magnetron sputtering on thermally grown SiO{sub 2} on Si substrates. Pt/Au contacts are fabricated by standard photolithography and lift-off in order to form a metal-semiconductor-metal (MSM) photodetector. The dark current of the photodetector is measured as 1?pA at 100?V bias, corresponding to 100?pA/cm{sup 2} current density. Spectral photoresponse measurement showed the usual spectral behavior and 0.35?A/W responsivity at a 100?V bias. The rise and fall times for the photocurrent are measured as 22 ps and 8?ns, respectively, which are the lowest values to date. Scanning electron microscope image shows high aspect ratio and dense grains indicating high surface area. Low dark current density and high speed response are attributed to high number of recombination centers due to film morphology, deducing from photoluminescence measurements. These results show that as deposited ZnO thin film MSM photodetectors can be used for the applications needed for low light level detection and fast operation.

  3. Thickness Effect of Al-Doped ZnO Window Layer on Damp Heat Stability of CuInGaSe2 Solar Cells: Preprint

    SciTech Connect (OSTI)

    Pern, F. J.; Mansfield, L.; DeHart, C.; Glick, S. H.; Yan, F.; Noufi, R.

    2011-07-01

    We investigated the damp heat (DH) stability of CuInGaSe2 (CIGS) solar cells as a function of thickness of the Al-doped ZnO (AZO) window layer from the 'standard' 0.12 ?m to a modest 0.50 ?m over an underlying 0.10-?m intrinsic ZnO buffer layer. The CIGS cells were prepared with external electrical contact using fine Au wire to the tiny 'standard' Ni/Al (0.05 ?m/3 ?m) metal grid contact pads. Bare cell coupons and sample sets encapsulated in a specially designed, Al-frame test structure with an opening for moisture ingress control using a TPT backsheet were exposed to DH at 85oC and 85% relative humidity, and characterized by current-voltage (I-V), quantum efficiency (QE), and (electrochemical) impedance spectroscopy (ECIS). The results show that bare cells exhibited rapid degradation within 50-100 h, accompanied by film wrinkling and delamination and corrosion of Mo and AlNi grid, regardless of AZO thickness. In contrast, the encapsulated cells did not show film wrinkling, delamination, and Mo corrosion after 168 h DH exposure; but the trend of efficiency degradation rate showed a weak correlation to the AZO thickness.

  4. Bond-bending isomerism of Au2I3-: Competition between covalent bonding and aurophilicity

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Li, Wan -Lu; Liu, Hong -Tao; Jian, Tian; Lopez, Gary V.; Piazza, Zachary A.; Huang, Dao -Ling; Chen, Teng -Teng; Su, Jing; Yang, Ping; Chen, Xin; et al

    2015-10-13

    We report a joint photoelectron spectroscopy and theoretical investigation of the gaseous Au2I3– cluster, which is found to exhibit two types of isomers due to competition between Au–I covalent bonding and Au–Au aurophilic interactions. The covalent bonding favors a bent IAuIAuI– structure with an obtuse Au–I–Au angle (100.7°), while aurophilic interactions pull the two Au atoms much closer, leading to an acutely bent structure (72.0°) with an Au–Au distance of 3.08 Å. The two isomers are separated by a small barrier and are nearly degenerate with the obtuse isomer being slightly more stable. At low temperature, only the obtuse isomermore » is observed; distinct experimental evidence is observed for the co-existence of a combination of isomers with both acute and obtuse bending angles at room temperature. As a result, the two bond-bending isomers of Au2I3– reveal a unique example of one molecule being able to oscillate between different structures as a result of two competing chemical forces.« less

  5. Stability of Surface and Subsurface Hydrogen on and in Au/Ni Near-Surface Alloys

    SciTech Connect (OSTI)

    Celik, Fuat E.; Mavrikakis, Manos

    2015-10-01

    Periodic, self-consistent DFT-GGA (PW91) calculations were used to study the interaction of hydrogen atoms with the (111) surfaces of substitutional near-surface alloys (NSAs) of Au and Ni with different surface layer compositions and different arrangements of Au atoms in the surface layer. The effect of hydrogen adsorption on the surface and in the first and second subsurface layers of the NSAs was studied. Increasing the Au content in the surface layer weakens hydrogen binding on the surface, but strengthens subsurface binding, suggesting that the distribution of surface and subsurface hydrogen will be different than that on pure Ni(111). While the metal composition of the surface layer has an effect on the binding energy of hydrogen on NSA surfaces, the local composition of the binding site has a stronger effect. For example, fcc hollow sites consisting of three Ni atoms bind H nearly as strongly as on Ni(111), and fcc sites consisting of three Au atoms bind H nearly as weakly as on Au(111). Sites with one or two Au atoms show intermediate binding energies. The preference of hydrogen for three-fold Ni hollow sites alters the relative stabilities of different surface metal atom arrangements, and may provide a driving force for adsorbate-induced surface rearrangement.

  6. Process for fabricating ZnO-based varistors

    DOE Patents [OSTI]

    Lauf, Robert J. (Oak Ridge, TN)

    1985-01-01

    The invention is a process for producing ZnO-based varistors incorporating a metal oxide dopant. In one form, the invention comprises providing a varistor powder mix of colloidal particles of ZnO and metal-oxide dopants including Bi.sub.2 O.sub.3. The mix is hot-pressed to form a compact at temperatures below 850.degree. C. and under conditions effecting reduction of the ZnO to sub-stoichiometric oxide. This promotes densification while restricting liquid formation and grain growth. The compact then is heated under conditions restoring the zinc oxide to stoichiometric composition, thus improving the varistor properties of the compact. The process produces fine-grain varistors characterized by a high actual breakdown voltage and a high average breakdown voltage per individual grain boundary.

  7. Nitrogen is a deep acceptor in ZnO

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Tarun, M. C.; Iqbal, M. Zafar; McCluskey, M. D.

    2011-04-14

    Zinc oxide is a promising material for blue and UV solid-state lighting devices, among other applications. Nitrogen has been regarded as a potential p-type dopant for ZnO. However, recent calculations indicate that nitrogen is a deep acceptor. This paper presents experimental evidence that nitrogen is, in fact, a deep acceptor and therefore cannot produce p-type ZnO. A broad photoluminescence (PL) emission band near 1.7 eV, with an excitation onset of ~2.2 eV, was observed, in agreement with the deep-acceptor model of the nitrogen defect. Thus the deep-acceptor behavior can be explained by the low energy of the ZnO valence bandmore » relative to the vacuum level.« less

  8. One-step electrochemical synthesis of a grapheneZnO hybrid for improved photocatalytic activity

    SciTech Connect (OSTI)

    Wei, Ang; Xiong, Li; Sun, Li; Liu, Yanjun; Li, Weiwei; Lai, Wenyong; Liu, Xiangmei; Wang, Lianhui; Huang, Wei; Dong, Xiaochen

    2013-08-01

    Graphical abstract: - Highlights: GrapheneZnO hybrid was synthesized by one-step electrochemical deposition. GrapheneZnO hybrid presents a special structure and wide UVvis absorption spectra. GrapheneZnO hybrid exhibits an exceptionally higher photocatalytic activity for the degradation of dye methylene blue. - Abstract: A grapheneZnO (G-ZnO) hybrid was synthesized by one-step electrochemical deposition. During the formation of ZnO nanostructure by cathodic electrochemical deposition, the graphene oxide was electrochemically reduced to graphene simultaneously. Scanning electron microscope images, X-ray photoelectron spectroscopy, X-ray diffraction, Raman spectra, and UVvis absorption spectra indicate the resulting G-ZnO hybrid presents a special structure and wide UVvis absorption spectra. More importantly, it exhibits an exceptionally higher photocatalytic activity for the degradation of dye methylene blue than that of pure ZnO nanostructure under both ultraviolet and sunlight irradiation.

  9. Enhanced photoelectrochemical responses of ZnO films through Ga and N codoping

    SciTech Connect (OSTI)

    Ahn, Kwang-Soon; Yan, Yanfa; Shet, Sudhakar; Deutsch, Todd; Turner, John; Al-Jassim, Mowafak

    2007-12-03

    We report on the crystallinity and photoelectrochemical (PEC) response of ZnO thin films codoped by Ga and N. The ZnO:(Ga,N) thin films were deposited by cosputtering at room temperature and followed by postannealing at 500 deg. C in air for 2 h. We found that ZnO:(Ga,N) thin films exhibited significantly enhanced crystallinity compared to ZnO doped solely with N at the same growth conditions. Furthermore, ZnO:(Ga,N) thin films exhibited enhanced N incorporation over ZnO doped solely with N at high temperatures. As a result, ZnO:(Ga,N) thin films achieved dramatically improved PEC response, compared to ZnO thin films doped solely with N at any conditions. Our results suggest a general way to improve PEC response for wide-band-gap oxides.

  10. Effect of ZnO seed layer on the morphology and optical properties of ZnO nanorods grown on GaN buffer layers

    SciTech Connect (OSTI)

    Nandi, R. Mohan, S. Major, S. S.; Srinivasa, R. S.

    2014-04-24

    ZnO nanorods were grown by chemical bath deposition on sputtered, polycrystalline GaN buffer layers with and without ZnO seed layer. Scanning electron microscopy and X-ray diffraction show that the ZnO nanorods on GaN buffer layers are not vertically well aligned. Photoluminescence spectrum of ZnO nanorods grown on GaN buffer layer, however exhibits a much stronger near-band-edge emission and negligible defect emission, compared to the nanorods grown on ZnO buffer layer. These features are attributed to gallium incorporation at the ZnO-GaN interface. The introduction of a thin (25 nm) ZnO seed layer on GaN buffer layer significantly improves the morphology and vertical alignment of ZnO-NRs without sacrificing the high optical quality of ZnO nanorods on GaN buffer layer. The presence of a thick (200 nm) ZnO seed layer completely masks the effect of the underlying GaN buffer layer on the morphology and optical properties of nanorods.

  11. Structure of graphene oxide dispersed with ZnO nanoparticles

    SciTech Connect (OSTI)

    Yadav, Rishikesh Pandey, Devendra K.; Khare, P. S.

    2014-10-15

    Graphene has been proposed as a promising two-dimensional nanomaterial with outstanding electronic, optical, thermal and mechanical properties for many applications. In present work a process of dispersion of graphene oxide with ZnO nanoparticles in ethanol solution with different pH values, have been studied. Samples have been characterized by XRD, SEM, PL, UV-visible spectroscopy and particles size measurement. The results analysis indicates overall improved emission spectrum. It has been observed that the average diameter of RGO (Reduced Graphene Oxide) decreases in presence of ZnO nanoparticles from 3.8?m to 0.41?m.

  12. Nucleon-gold collisions at 200A GeV using tagged d + Au interactions in the PHOBOS detector

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Back, B. B.; Nouicer, R.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Becker, B.; Betts, R. R.; Bickley, A. A; Stienberg, P.; Ioradnova, A.; et al

    2015-09-23

    Forward calorimetry in the PHOBOS detector has been used to study charged hadron production in d+Au, p+Au, and n+Au collisions at √sNN =200GeV. The forward proton calorimeter detectors are described and a procedure for determining collision centrality with these detectors is detailed. The deposition of energy by deuteron spectator nucleons in the forward calorimeters is used to identify p+Au and n+Au collisions in the data. A weighted combination of the yield of p+Au and n+Au is constructed to build a reference for Au+Au collisions that better matches the isospin composition of the gold nucleus. The pT and centrality dependence ofmore » the yield of this improved reference system is found to match that of d+Au. The shape of the charged-particle transverse momentum distribution is observed to extrapolate smoothly from p+p¯ to central d+Au as a function of the charged-particle pseudorapidity density. The asymmetry of positively and negatively charged hadron production in p+Au is compared to that of n+Au. No significant asymmetry is observed at midrapidity. In conclusion, these studies augment recent results from experiments at the CERN Large Hadron Collider and BNL Relativistic Heavy Ion Collider facilities to give a more complete description of particle production in p+A and d+A collisions, essential for the understanding the medium produced in high-energy nucleus-nucleus collisions.« less

  13. Nucleon-gold collisions at 200A GeV using tagged d + Au interactions in the PHOBOS detector

    SciTech Connect (OSTI)

    Back, B. B.; Nouicer, R.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Becker, B.; Betts, R. R.; Bickley, A. A; Stienberg, P.; Ioradnova, A.; Pak, R.; Sukhanov, A.

    2015-09-23

    Forward calorimetry in the PHOBOS detector has been used to study charged hadron production in d+Au, p+Au, and n+Au collisions at √sNN =200GeV. The forward proton calorimeter detectors are described and a procedure for determining collision centrality with these detectors is detailed. The deposition of energy by deuteron spectator nucleons in the forward calorimeters is used to identify p+Au and n+Au collisions in the data. A weighted combination of the yield of p+Au and n+Au is constructed to build a reference for Au+Au collisions that better matches the isospin composition of the gold nucleus. The pT and centrality dependence of the yield of this improved reference system is found to match that of d+Au. The shape of the charged-particle transverse momentum distribution is observed to extrapolate smoothly from p+p¯ to central d+Au as a function of the charged-particle pseudorapidity density. The asymmetry of positively and negatively charged hadron production in p+Au is compared to that of n+Au. No significant asymmetry is observed at midrapidity. In conclusion, these studies augment recent results from experiments at the CERN Large Hadron Collider and BNL Relativistic Heavy Ion Collider facilities to give a more complete description of particle production in p+A and d+A collisions, essential for the understanding the medium produced in high-energy nucleus-nucleus collisions.

  14. Energy dependence of Kπ, pπ and Kp fluctuations in Au+Au collisions from √sNN=7.7 to 200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.

    2015-08-07

    A search for the quantum chromodynamics (QCD) critical point was performed by the STAR experiment at the Relativistic Heavy Ion Collider, using dynamical fluctuations of unlike particle pairs. Heavy ion collisions were studied over a large range of collision energies with homogeneous acceptance and excellent particle identification, covering a significant range in the QCD phase diagram where a critical point may be located. Dynamical Kπ, pπ, and Kp fluctuations as measured by the STAR experiment in central 0–5% Au+Au collisions from center-of-mass collision energies √sNN=7.7 to 200 GeV are presented. The observable νdyn was used to quantify the magnitude ofmore »the dynamical fluctuations in event-by-event measurements of the Kπ, pπ, and Kp pairs. The energy dependences of these fluctuations from central 0–5% Au+Au collisions all demonstrate a smooth evolution with collision energy.« less

  15. Measurement of Υ(1S + 2S +3S) production in p + p and Au + Au collisions at \\(\\sqrt{s_{\\mathrm{NN}}}=200\\) GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.; Afanasiev, S.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Akimoto, R.; Al-Bataineh, H.; Al-Ta'ani, H.; Alexander, J.; Angerami, A.; et al

    2015-02-24

    Measurements of bottomonium production in heavy-ion and p+p collisions at the Relativistic Heavy Ion Collider (RHIC) are presented. The inclusive yield of the three Υ states, Υ(1S + 2S + 3S), was measured in the PHENIX experiment via electron-positron decay pairs at midrapidity for Au+Au and p+p collisions at \\(\\sqrt{s_{\\mathrm{NN}}}=200\\) GeV. The Υ(1S + 2S + 3S) → e⁺e⁻ differential cross section at midrapidity was found to be Beedσ/dy = 108 ± 38 (stat) ± 15 (syst) ± 11 (luminosity) pb in p+p collisions. The nuclear modification factor in the 30% most central Au+Au collisions indicates a suppression of themore »total Υ state yield relative to the extrapolation from p+p collision data. Thus, the suppression is consistent with measurements at higher energies by the CMS experiment at the Large Hadron Collider.« less

  16. Measurement of Υ(1S + 2S +3S) production in p + p and Au + Au collisions at \\(\\sqrt{s_{\\mathrm{NN}}}=200\\) GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.; Afanasiev, S.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Akimoto, R.; Al-Bataineh, H.; Al-Ta'ani, H.; Alexander, J.; Angerami, A.; et al

    2015-02-24

    Measurements of bottomonium production in heavy-ion and p+p collisions at the Relativistic Heavy Ion Collider (RHIC) are presented. The inclusive yield of the three Υ states, Υ(1S + 2S + 3S), was measured in the PHENIX experiment via electron-positron decay pairs at midrapidity for Au+Au and p+p collisions at \\(\\sqrt{s_{\\mathrm{NN}}}=200\\) GeV. The Υ(1S + 2S + 3S) → e⁺e⁻ differential cross section at midrapidity was found to be Beedσ/dy = 108 ± 38 (stat) ± 15 (syst) ± 11 (luminosity) pb in p+p collisions. The nuclear modification factor in the 30% most central Au+Au collisions indicates a suppression of themore » total Υ state yield relative to the extrapolation from p+p collision data. Thus, the suppression is consistent with measurements at higher energies by the CMS experiment at the Large Hadron Collider.« less

  17. Energy dependence of Kπ, pπ and Kp fluctuations in Au+Au collisions from √sNN=7.7 to 200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.

    2015-08-07

    A search for the quantum chromodynamics (QCD) critical point was performed by the STAR experiment at the Relativistic Heavy Ion Collider, using dynamical fluctuations of unlike particle pairs. Heavy ion collisions were studied over a large range of collision energies with homogeneous acceptance and excellent particle identification, covering a significant range in the QCD phase diagram where a critical point may be located. Dynamical Kπ, pπ, and Kp fluctuations as measured by the STAR experiment in central 0–5% Au+Au collisions from center-of-mass collision energies √sNN=7.7 to 200 GeV are presented. The observable νdyn was used to quantify the magnitude ofmore » the dynamical fluctuations in event-by-event measurements of the Kπ, pπ, and Kp pairs. The energy dependences of these fluctuations from central 0–5% Au+Au collisions all demonstrate a smooth evolution with collision energy.« less

  18. Initial eccentricity in deformed {sup 197}Au+{sup 197}Au and {sup 238}U+{sup 238}U collisions at {radical}(s{sub NN})=200 GeV at the BNL Relativistic Heavy Ion Collider

    SciTech Connect (OSTI)

    Filip, Peter; Lednicky, Richard; Masui, Hiroshi; Xu Nu

    2009-11-15

    Initial eccentricity and eccentricity fluctuations of the interaction volume created in relativistic collisions of deformed {sup 197}Au and {sup 238}U nuclei are studied using optical and Monte Carlo (MC) Glauber simulations. It is found that the nonsphericity noticeably influences the average eccentricity in central collisions, and eccentricity fluctuations are enhanced from deformation. Quantitative results are obtained for Au+Au and U+U collisions at energy {radical}(s{sub NN})=200 GeV.

  19. Efficient H{sub 2} production over Au/graphene/TiO{sub 2} induced by surface plasmon resonance of Au and band-gap excitation of TiO{sub 2}

    SciTech Connect (OSTI)

    Liu, Yang; Yu, Hongtao; Wang, Hua; Chen, Shuo; Quan, Xie

    2014-11-15

    Highlights: Both surface plasmon resonance and band-gap excitation were used for H{sub 2} production. Au/Gr/TiO{sub 2} composite photocatalyst was synthesized. Au/Gr/TiO{sub 2} exhibited enhancement of light absorption and charge separation. H{sub 2} production rate of Au/Gr/TiO{sub 2} was about 2 times as high as that of Au/TiO{sub 2}. - Abstract: H{sub 2} production over Au/Gr/TiO{sub 2} composite photocatalyst induced by surface plasmon resonance of Au and band-gap excitation of TiO{sub 2} using graphene (Gr) as an electron acceptor has been investigated. Electron paramagnetic resonance study indicated that, in this composite, Gr collected electrons not only from Au with surface plasmon resonance but also from TiO{sub 2} with band-gap excitation. Surface photovoltage and UVvis absorption measurements revealed that compared with Au/TiO{sub 2}, Au/Gr/TiO{sub 2} displayed more effective photogenerated charge separation and higher optical absorption. Benefiting from these advantages, the H{sub 2} production rate of Au/Gr/TiO{sub 2} composite with Gr content of 1.0 wt% and Au content of 2.0 wt% was about 2 times as high as that of Au/TiO{sub 2}. This work represents an important step toward the efficient application of both surface plasmon resonance and band-gap excitation on the way to converting solar light into chemical energy.

  20. Photoinduced reduction of surface states in Fe:ZnO

    SciTech Connect (OSTI)

    Knut, R. Palmgren, P.; Karis, O.; Lagerqvist, U.; Pohl, A.; Pal, P.; Svedlindh, P.

    2015-05-28

    We report on the electronic structure of nano-crystalline Fe:ZnO, which has recently been found to be an efficient photocatalyst. Using resonant photoemission spectroscopy, we determine the binding energy of Fe 3d states corresponding to different valencies and coordination of the Fe atoms. The photo-activity of ZnO reduces Fe from 3+ to 2+ in the surface region of the nano-crystalline material due to the formation of oxygen vacancies. Electronic states corresponding to low-spin Fe{sup 2+} are observed and attributed to crystal field modification at the surface. These states are potentially important for the photocatalytic sensitivity to visible light due to their location deep in the ZnO bandgap. X-ray absorption and x-ray photoemission spectroscopy suggest that Fe is only homogeneously distributed for concentrations up to 3%. Increased concentrations does not result in a higher concentration of Fe ions in the surface region. This is limiting the photocatalytic functionality of ZnO, where the most efficient Fe doping concentration has been shown to be 1%-4%.

  1. Defect Chemistry Study of Nitrogen Doped ZnO Thin Films

    SciTech Connect (OSTI)

    Miami University: Dr. Lei L. Kerr Wright State University: Dr. David C. Look and Dr. Zhaoqiang Fang

    2009-11-29

    Our team has investigated the defect chemistry of ZnO:N and developed a thermal evaporation (vapor-phase) method to synthesis p-type ZnO:N. Enhanced p-type conductivity of nitrogen doped ZnO via nano/micro structured rods and Zn-rich Co-doping process were studied. Also, an extended X-Ray absorption fine structure study of p-type nitrogen doped ZnO was conducted. Also reported are Hall-effect, photoluminescence, and DLTS studies.

  2. Controlled growth and multi-photon luminescence of hexagonal arrays of Au nanoparticles on anodic aluminum oxide templates

    SciTech Connect (OSTI)

    Li Jianbo; Yu Ying; Peng Xiaoniu; Yang Zhongjian; Zhou Li; Zhou Zhangkai

    2012-06-15

    Au nanoparticles were deposited onto anodic aluminum oxide (AAO) templates by using a rotating sputtering technique. Interestingly, hexagonal arrays of Au nanoparticles were obtained at an appropriate rotating rate and deposition time. Strong three-photon luminescence was observed from the hexagonally arrayed Au nanoparticles, which is attributed to the strong enhancements of local electromagnetic fields at both excitation and emission wavelengths. Our findings provide a new method to prepare Au nanoparticle arrays with large field enhancements and could have prospective applications in plasmonic nanodevices, such as surface-enhanced Raman scattering substrates, and biosensors.

  3. Spin correlations and electron transport in MnBi:Au films

    SciTech Connect (OSTI)

    Kharel, P.; Skomski, R.; Sellmyer, D. J.

    2011-04-01

    The structural, magnetic, and electron transport properties of Mn{sub 55-x}Au{sub x}Bi{sub 45} (x = 0, 4.5) thin films prepared by magnetron sputtering have been investigated. The magnetization of the MnBi films decreases and the coercivity increases due to Au doping. The temperature dependence of resistivity between 2 to 300 K shows that the films are metallic but the 4.5% Au-doped film shows a Kondo behavior with resistance minimum at 10.2 K. The magnetoresistance is anisotropic and the positive transverse magnetoresistance is significantly enhanced (16.3% at 70 kOe) by Au doping. We interpret these data in terms of a model in which Au atoms preferentially substitute for Mn atoms on the Mn lattice, and some Mn atoms are displaced to interstitial sites in the NiAs structure. These interstitial Mn atoms are coupled antiferromagnetically to the Mn atoms on the original Mn lattice leading to the large decrease in magnetization, Kondo effect, and the positive magnetoresistance.

  4. INTERSTELLAR PICK-UP IONS OBSERVED BETWEEN 11 AND 22 AU BY NEW HORIZONS

    SciTech Connect (OSTI)

    Randol, B. M.; McComas, D. J.; Schwadron, N. A.

    2013-05-10

    We report new observations by the Solar Wind Around Pluto instrument on the New Horizons spacecraft, which measures energy per charge (E/q) spectra of solar wind and interstellar pick-up ions (PUIs) between 11 AU and 22 AU from the Sun. The data provide an unprecedented look at PUIs as there have been very few measurements of PUIs beyond 10 AU. We analyzed the PUI part of the spectra by comparing them to the classic Vasyliunas and Siscoe PUI model. Our analysis indicates that PUIs are usually well-described by this distribution. We derive parameters relevant to PUI studies, such as the ionization rate normalized to 1 AU. Our result for the average ionization rate between 11 and 12 AU agrees with an independently derived average value found during the same time. Later, we find a general increase in the ionization rate, which is consistent with the increase in solar activity. We also calculate the PUI thermal pressure, which appears to be roughly consistent with previous results. Through fitting of the solar wind proton peaks in our spectra, we derive solar wind thermal pressures. Based on our analysis, we predict a ratio of PUI thermal pressure to solar wind thermal pressure just inside the termination shock to be between 100 and >1000.

  5. TUNING OF SIZE AND SHAPE OF AU-PT NANOCATALYST FOR DIRECT METHANOL FUEL CELLS

    SciTech Connect (OSTI)

    Murph, S.

    2011-04-20

    In this paper, we report the precise control of the size, shape and surface morphology of Au-Pt nanocatalysts (cubes, blocks, octahedrons and dogbones) synthesized via a seed-mediated approach. Gold 'seeds' of different aspect ratios (1 to 4.2), grown by a silver-assisted approach, were used as templates for high-yield production of novel Au-Pt nanocatalysts at a low temperature (40 C). Characterization by electron microscopy (SEM, TEM, HRTEM), energy dispersive X-ray analysis (EDX), UV-Vis spectroscopy, zeta-potential (surface charge), atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and inductively coupled plasma mass spectrometry (ICP-MS) were used to better understand their physico-chemical properties, preferred reactivities and underlying nanoparticle growth mechanism. A rotating disk electrode was used to evaluate the Au-Pt nanocatalysts electrochemical performance in the oxygen reduction reaction (ORR) and the methanol oxidation reaction (MOR) of direct methanol fuel cells. The results indicate the Au-Pt dogbones are partially and in some cases completely unaffected by methanol poisoning during the evaluation of the ORR. The ORR performance of the octahedron particles in the absence of MeOH is superior to that of the Au-Pt dogbones and Pt-black, however its performance is affected by the presence of MeOH.

  6. Theoretical study of syngas hydrogenation to methanol on the polar Zn-terminated ZnO(0001) surface

    SciTech Connect (OSTI)

    Zhao, Ya-Fan; Rousseau, Roger J.; Li, Jun; Mei, Donghai

    2012-08-02

    Methanol synthesis from syngas (CO/CO2/H2) hydrogenation on the perfect Znterminated polar ZnO(0001) surface have been investigated using periodic density functional theory calculations. Our results show that direct CO2 hydrogenation to methanol on the perfect ZnO(0001) surface is unlikely because in the presence of surface atomic H and O the highly stable formate (HCOO) and carbonate (CO3) readily produced from CO2 with low barriers 0.11 and 0.09 eV will eventually accumulate and block the active sites of the ZnO(0001) surface. In contrast, methanol synthesis from CO hydrogenation is thermodynamically and kinetically feasible on the perfect ZnO(0001) surface. CO can be consecutively hydrogenated into formyl (HCO), formaldehyde (H2CO), methoxy (H3CO) intermediates, leading to the final formation of methanol (H3COH). The reaction route via hydroxymethyl (H2COH) intermediate, a previously proposed species on the defected Oterminated ZnO( ) surface, is kinetically inhibited on the perfect ZnO(0001) surface. The rate-determining step in the consecutive CO hydrogenation route is the hydrogenation of H3CO to H3COH. We also note that this last hydrogenation step is pronouncedly facilitated in the presence of water by lowering the activation barrier from 1.02 to 0.55 eV. This work was supported by the U.S. Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences, and performed at EMSL, a national scientific user facility sponsored by the Department of Energys Office of Biological and Environmental Research located at Pacific Northwest National Laboratory (PNNL). Computational resources were provided at EMSL and the National Energy Research Scientific Computing Center at Lawrence Berkeley National Laboratory. J. Li and Y.-F. Zhao were also financially supported by the National Natural Science Foundation of China (Nos. 20933003 and 91026003) and the National Basic Research Program of China (No. 2011CB932400). Y.-F. Zhao acknowledges the fellowship from PNNL.

  7. Local structures of polar wurtzites Zn1-xMgxO studied by raman and 67Zn/25Mg NMR spectroscopies and by total neutron scattering

    SciTech Connect (OSTI)

    Proffen, Thomas E; Kim, Yiung- Il; Cadars, Sylvian; Shayib, Ramzy; Feigerle, Charles S; Chmelka, Bradley F; Seshadri, Ram

    2008-01-01

    Research in the area of polar semiconductor heterostructures has been growing rapidly, driven in large part by interest in two-dimensional electron gas (2DEG) systems. 2DEGs are known to form at heterojunction interfaces that bear polarization gradients. They can display extremely high electron mobilities, especially at low temperatures, owing to spatial confinement of carrier motions. Recent reports of 2DEG behaviors in Ga{sub 1-x}Al{sub x}N/GaN and Zn{sub 1-x}Mg{sub x}O/ZnO heterostructures have great significance for the development of quantum Hall devices and novel high-electron-mobility transistors (HEMTs). 2DEG structures are usually designed by interfacing a polar semiconductor with its less or more polar alloys in an epitaxial manner. Since the quality of the 2DEG depends critically on interface perfection, as well as the polarization gradient at the heterojunction, understanding compositional and structural details of the parent and alloy semiconductors is an important component in 2DEG design and fabrication. Zn{sub 1-x}Mg{sub x}O/ZnO is one of the most promising heterostructure types for studies of 2DEGs, due to the large polarization of ZnO, the relatively small lattice mismatch, and the large conduction band offsets in the Zn{sub 1-x}Mg{sub x}O/ZnO heterointerface. Although 2DEG formation in Zn{sub 1-x}Mg{sub x}O/ZnO heterostructures have been researched for some time, a clear understanding of the alloy structure of Zn{sub 1-x}Mg{sub x}O is currently lacking. Here, we conduct a detailed and more precise study of the local structure of Zn{sub 1-x}Mg{sub x}O alloys using Raman and solid-state nuclear magnetic resonance (NMR), in conjunction with neutron diffraction techniques.

  8. Systematic study of charged-pion and kaon femtoscopy in Au+Au collisions at √sNN = 200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.

    2015-09-23

    We present a systematic study of charged pion and kaon interferometry in Au+Au collisions at √sNN=200 GeV. The kaon mean source radii are found to be larger than pion radii in the outward and longitudinal directions for the same transverse mass; this difference increases for more central collisions. The azimuthal-angle dependence of the radii was measured with respect to the second-order event plane and similar oscillations of the source radii were found for pions and kaons. Hydrodynamic models qualitatively describe the similar oscillations of the mean source radii for pions and kaons, but they do not fully describe the transverse-massmore »dependence of the oscillations.« less

  9. Systematic study of charged-pion and kaon femtoscopy in Au+Au collisions at √sNN = 200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.

    2015-09-23

    We present a systematic study of charged pion and kaon interferometry in Au+Au collisions at √sNN=200 GeV. The kaon mean source radii are found to be larger than pion radii in the outward and longitudinal directions for the same transverse mass; this difference increases for more central collisions. The azimuthal-angle dependence of the radii was measured with respect to the second-order event plane and similar oscillations of the source radii were found for pions and kaons. Hydrodynamic models qualitatively describe the similar oscillations of the mean source radii for pions and kaons, but they do not fully describe the transverse-massmore » dependence of the oscillations.« less

  10. Systematic study of charged-pion and kaon femtoscopy in Au+Au collisions at ?sNN = 200 GeV

    SciTech Connect (OSTI)

    Adare, A.

    2015-09-23

    We present a systematic study of charged pion and kaon interferometry in Au+Au collisions at ?sNN=200 GeV. The kaon mean source radii are found to be larger than pion radii in the outward and longitudinal directions for the same transverse mass; this difference increases for more central collisions. The azimuthal-angle dependence of the radii was measured with respect to the second-order event plane and similar oscillations of the source radii were found for pions and kaons. Hydrodynamic models qualitatively describe the similar oscillations of the mean source radii for pions and kaons, but they do not fully describe the transverse-mass dependence of the oscillations.

  11. Photoconductive response of a single Au nanorod coupled to LaAlO{sub

    Office of Scientific and Technical Information (OSTI)

    3}/SrTiO{sub 3} nanowires (Journal Article) | SciTech Connect Photoconductive response of a single Au nanorod coupled to LaAlO{sub 3}/SrTiO{sub 3} nanowires Citation Details In-Document Search Title: Photoconductive response of a single Au nanorod coupled to LaAlO{sub 3}/SrTiO{sub 3} nanowires Terahertz (THz) spectroscopy is an important tool that provides resonant access to free carrier motion, molecular rotation, lattice vibrations, excitonic, spin, and other degrees of freedom. Current

  12. High-frequency signal transmission through single-atom contacts of Au and Pt

    SciTech Connect (OSTI)

    Aoyama, Shodai; Kurokawa, Shu; Sakai, Akira

    2015-03-23

    Signal transmission through atom-sized contacts of Au and Pt has been studied at room temperature for frequencies from 9 kHz to 1 GHz and for conductances (1?10)G{sub 0} (G?2e{sup 2}/h is the quantum unit of conductance). We measured the frequency spectrum of S parameter S{sub 21}=|S{sub 21}|e{sup i?} and found ??0 up to 1?GHz for all contacts irrespective of their conductance. Our observations directly prove that the atom-sized contacts of Au and Pt, including their single-atom contacts, behave as a pure resistance in the RF regime.

  13. Photo-induced wettability of TiO{sub 2} film with Au buffer layer

    SciTech Connect (OSTI)

    Purkayastha, Debarun Dhar; Sangani, L. D. Varma; Krishna, M. Ghanashyam; Madhurima, V.

    2014-04-24

    The effect of thickness of Au buffer layer (15-25 nm) between TiO{sub 2} film and substrate on the wettability of TiO{sub 2} films is reported. TiO{sub 2} films grown on Au buffer layer have a higher contact angle of 96-;100 as compared to 47.6o for the film grown without buffer layer. The transition from hydrophobicity to hydrophilicity under UV irradiation occurs within 10 min. for the buffer layered films whereas it is almost 30 min. for the film grown without buffer layer. The enhanced photo induced hydrophilicity is shown to be surface energy driven.

  14. Density Functional Study of Au-n110(n = 3-5) Clusters on Relaxed Graphite

    Office of Scientific and Technical Information (OSTI)

    Surfaces (Journal Article) | SciTech Connect Density Functional Study of Au-n110(n = 3-5) Clusters on Relaxed Graphite Surfaces Citation Details In-Document Search Title: Density Functional Study of Au-n110(n = 3-5) Clusters on Relaxed Graphite Surfaces No abstract prepared. Authors: Wang, Guan M. ; BelBruno, Joseph J. ; Kenny, Steven D. ; Smith, Roger Publication Date: 2005-02-10 OSTI Identifier: 15011649 DOE Contract Number: AC05-76RL01830 Resource Type: Journal Article Resource Relation:

  15. Protein Viability on Au Nanoparticles during an Electrospray and Electrostatic-Force-Directed Assembly Process

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Mao, Shun; Lu, Ganhua; Yu, Kehan; Chen, Junhong

    2010-01-01

    We study the protein viability on Au nanoparticles during an electrospray and electrostatic-force-directed assembly process, through which Au nanoparticle-antibody conjugates are assembled onto the surface of carbon nanotubes (CNTs) to fabricate carbon nanotube field-effect transistor (CNTFET) biosensors. Enzyme-linked immunosorbent assay (ELISA) and field-effect transistor (FET) measurements have been used to investigate the antibody activity after the nanoparticle assembly. Upon the introduction of matching antigens, the colored reaction from the ELISA and the change in the electrical characteristic of the CNTFET device confirm that the antibody activity is preserved during the assembly process.

  16. Experimental evidences of a large extrinsic spin Hall effect in AuW alloy

    SciTech Connect (OSTI)

    Laczkowski, P.; Rojas-Sánchez, J.-C.

    2014-04-07

    We report an experimental study of a gold-tungsten alloy (7 at. % W concentration in Au host) displaying remarkable properties for spintronics applications using both magneto-transport in lateral spin valve devices and spin-pumping with inverse spin Hall effect experiments. A very large spin Hall angle of about 10% is consistently found using both techniques with the reliable spin diffusion length of 2 nm estimated by the spin sink experiments in the lateral spin valves. With its chemical stability, high resistivity, and small induced damping, this AuW alloy may find applications in the nearest future.

  17. PdAgAu alloy with high resistance to corrosion by H{sub 2}S

    SciTech Connect (OSTI)

    Braun, Fernando; Miller, James B.; Gellman, Andrew J.; Tarditi, Ana M.; Fleutot, Benoit; Petro, Kondratyuk, Cornaglia, Laura M

    2012-12-01

    PdAgAu alloy films were prepared on porous stainless steel supports by sequential electroless deposition. Two specific compositions, Pd{sub 83}Ag{sub 2}Au{sub 15} and Pd{sub 74}Ag{sub 14}Au{sub 12}, were studied for their sulfur tolerance. The alloys and a reference Pd foil were exposed to 1000 H{sub 2}S/H{sub 2} at 623 K for periods of 3 and 30 hours. The microstructure, morphology and bulk composition of both nonexposed and H{sub 2}S-exposed samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS). XRD and SEM analysis revealed time-dependent growth of a bulk Pd{sub 4}S phase on the Pd foil during H{sub 2}S exposure. In contrast, the PdAgAu ternary alloys displayed the same FCC structure before and after H{sub 2}S exposure. In agreement with the XRD and SEM results, sulfur was not detected in the bulk of either ternary alloy samples by EDS, even after 30 hours of H{sub 2}S exposure. X-ray photoelectron spectroscopy (XPS) depth profiles were acquired for both PdAgAu alloys after 3 and 30 hours of exposure to characterize sulfur contamination near their surfaces. Very low S 2p and S 2s XPS signals were observed at the top-surfaces of the PdAgAu alloys, and those signals disappeared before the etch depth reached ~ 10 nm, even for samples exposed to H{sub 2}S for 30 hours. The depth profile analyses also revealed silver and gold segregation to the surface of the alloys; preferential location of Au on the alloys surface may be related to their resistance to bulk sulfide formation. In preliminary tests, a PdAgAu alloy membrane displayed higher initial H{sub 2} permeability than a similarly prepared pure Pd sample and, consistent with resistance to bulk sulfide formation, lower permeability loss in H{sub 2}S than pure Pd.

  18. Heavy-quark production and elliptic flow in Au+Au collisions at √sNN=62.4 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.

    2015-04-28

    In this study, we present measurements of electrons and positrons from the semileptonic decays of heavy-flavor hadrons at midrapidity (|y|< 0.35) in Au+Au collisions at √sNN = 62.4 GeV. The data were collected in 2010 by the PHENIX experiment that included the new hadron-blind detector. The invariant yield of electrons from heavy-flavor decays is measured as a function of transverse momentum in the range 1 < peT < 5 GeV/c. The invariant yield per binary collision is slightly enhanced above the p+p reference in Au+Au 0%–20%, 20%–40%, and 40%–60% centralities at a comparable level. At this low beam energy thismore » may be a result of the interplay between initial-state Cronin effects, final-state flow, and energy loss in medium. The v₂ of electrons from heavy-flavor decays is nonzero when averaged between 1.3 < peT < 2.5 GeV/c for 0%–40% centrality collisions at √sNN = 62.4 GeV. For 20%–40% centrality collisions, the v₂ at √sNN = 62.4 GeV is smaller than that for heavy-flavor decays at √sNN = 200 GeV. The v₂ of the electrons from heavy-flavor decay at the lower beam energy is also smaller than v₂ for pions. Both results indicate that the heavy-quarks interact with the medium formed in these collisions, but they may not be at the same level of thermalization with the medium as observed at √sNN = 200 GeV.« less

  19. Heavy-quark production and elliptic flow in Au+Au collisions at ?sNN=62.4 GeV

    SciTech Connect (OSTI)

    Adare, A.

    2015-04-28

    In this study, we present measurements of electrons and positrons from the semileptonic decays of heavy-flavor hadrons at midrapidity (|y|< 0.35) in Au+Au collisions at ?sNN = 62.4 GeV. The data were collected in 2010 by the PHENIX experiment that included the new hadron-blind detector. The invariant yield of electrons from heavy-flavor decays is measured as a function of transverse momentum in the range 1 < peT < 5 GeV/c. The invariant yield per binary collision is slightly enhanced above the p+p reference in Au+Au 0%20%, 20%40%, and 40%60% centralities at a comparable level. At this low beam energy this may be a result of the interplay between initial-state Cronin effects, final-state flow, and energy loss in medium. The v? of electrons from heavy-flavor decays is nonzero when averaged between 1.3 < peT < 2.5 GeV/c for 0%40% centrality collisions at ?sNN = 62.4 GeV. For 20%40% centrality collisions, the v? at ?sNN = 62.4 GeV is smaller than that for heavy-flavor decays at ?sNN = 200 GeV. The v? of the electrons from heavy-flavor decay at the lower beam energy is also smaller than v? for pions. Both results indicate that the heavy-quarks interact with the medium formed in these collisions, but they may not be at the same level of thermalization with the medium as observed at ?sNN = 200 GeV.

  20. An X-ray Absorption Fine Structure study of Au adsorbed onto the non-metabolizing cells of two soil bacterial species

    SciTech Connect (OSTI)

    Song, Zhen; Kenney, Janice P.L.; Fein, Jeremy B.; Bunker, Bruce A.

    2015-02-09

    Gram-positive and Gram-negative bacterial cells can remove Au from Au(III)-chloride solutions, and the extent of removal is strongly pH dependent. In order to determine the removal mechanisms, X-ray Absorption Fine Structure (XAFS) spectroscopy experiments were conducted on non-metabolizing biomass of Bacillus subtilis and Pseudomonas putida with fixed Au(III) concentrations over a range of bacterial concentrations and pH values. X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) data on both bacterial species indicate that more than 90% of the Au atoms on the bacterial cell walls were reduced to Au(I). In contrast to what has been observed for Au(III) interaction with metabolizing bacterial cells, no Au(0) or Au-Au nearest neighbors were observed in our experimental systems. All of the removed Au was present as adsorbed bacterial surface complexes. For both species, the XAFS data suggest that although Au-chloride-hydroxide aqueous complexes dominate the speciation of Au in solution, Au on the bacterial cell wall is characterized predominantly by binding of Au atoms to sulfhydryl functional groups and amine and/or carboxyl functional groups, and the relative importance of the sulfhydryl groups increases with increasing pH and with decreasing Au loading. The XAFS data for both microorganism species suggest that adsorption is the first step in the formation of Au nanoparticles by bacteria, and the results enhance our ability to account for the behavior of Au in bacteria-bearing geologic systems.

  1. Field emission properties of ZnO nanosheet arrays

    SciTech Connect (OSTI)

    Naik, Kusha Kumar; Rout, Chandra Sekhar E-mail: dj.late@ncl.res.in E-mail: csrout@iitbbs.ac.in; Khare, Ruchita; More, Mahendra A.; Chakravarty, Disha; Late, Dattatray J. E-mail: dj.late@ncl.res.in E-mail: csrout@iitbbs.ac.in; Thapa, Ranjit E-mail: dj.late@ncl.res.in E-mail: csrout@iitbbs.ac.in

    2014-12-08

    Electron emission properties of electrodeposited ZnO nanosheet arrays grown on Indium tin oxide coated glass substrates have been studied. Influence of oxygen vacancies on electronic structures and field emission properties of ZnO nanosheets are investigated using density functional theory. The oxygen vacancies produce unshared d electrons which form an impurity energy state; this causes shifting of Fermi level towards the vacuum, and so the barrier energy for electron extraction reduces. The ZnO nanosheet arrays exhibit a low turn-on field of 2.4?V/?m at 0.1??A/cm{sup 2} and current density of 50.1??A/cm{sup 2} at an applied field of 6.4?V/?m with field enhancement factor, ??=?5812 and good field emission current stability. The nanosheet arrays grown by a facile electrodeposition process have great potential as robust high performance vertical structure electron emitters for future flat panel displays and vacuum electronic device applications.

  2. Coulomb Excitation of the N = 50 nucleus {sup 80}Zn

    SciTech Connect (OSTI)

    Van de Walle, J.; Cocolios, T. E.; Huyse, M.; Ivanov, O.; Mayet, P.; Raabe, R.; Sawicka, M.; Stefanescu, I.; Duppen, P. van; Aksouh, F.; Behrens, T.; Gernhauser, R.; Kroell, T.; Kruecken, R.; Bildstein, V.; Blazhev, A.; Eberth, J.

    2008-05-12

    Neutron rich Zinc isotopes, including the N = 50 nucleus {sup 80}Zn, were produced and post-accelerated at the Radioactive Ion Beam (RIB) facility REX-ISOLDE (CERN). Low-energy Coulomb excitation was induced on these isotopes after post-acceleration, yielding B(E2) strengths to the first excited 2{sup +} states. For the first time, an excited state in {sup 80}Zn was observed and the 2{sub 1}{sup +} state in {sup 78}Zn was established. The measured B(E2,2{sub 1}{sup +}{yields}0{sub 1}{sup +}) values are compared to two sets of large scale shell model calculations. Both calculations reproduce the observed B(E2) systematics for the full Zinc isotopic chain. The results for N = 50 isotones indicate a good N = 50 shell closure and a strong Z = 28 proton core polarization. The new results serve as benchmarks to establish theoretical models, predicting the nuclear properties of the doubly magic nucleus {sup 78}Ni.

  3. Nuclear matter effects on J/? production in asymmetric Cu + Au collisions at \\(\\sqrt{s_{\\mathrm{NN}}} = 200\\) GeV

    SciTech Connect (OSTI)

    Adare, A.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Akimoto, R.; Alexander, J.; Alfred, M.; Aoki, K.; Apadula, N.; Aramaki, Y.; Asano, H.; Atomssa, E. T.; Awes, T. C.; Azmoun, B.; Babintsev, V.; Bai, M.; Bai, X.; Bandara, N. S.; Bannier, B.; Barish, K. N.; Bathe, S.; Baublis, V.; Baumann, C.; Baumgart, S.; Bazilevsky, A.; Beaumier, M.; Beckman, S.; Belmont, R.; Berdnikov, A.; Berdnikov, Y.; Bing, X.; Black, D.; Blau, D. S.; Bok, J. S.; Boyle, K.; Brooks, M. L.; Bryslawskyj, J.; Buesching, H.; Bumazhnov, V.; Butsyk, S.; Campbell, S.; Chen, C. -H.; Chi, C. Y.; Chiu, M.; Choi, I. J.; Choi, J. B.; Choi, S.; Christiansen, P.; Chujo, T.; Cianciolo, V.; Citron, Z.; Cole, B. A.; Cronin, N.; Crossette, N.; Csand, M.; Csrg?, T.; Datta, A.; Daugherity, M. S.; David, G.; DeBlasio, K.; Dehmelt, K.; Denisov, A.; Deshpande, A.; Desmond, E. J.; Ding, L.; Dion, A.; Do, J. H.; Drapier, O.; Drees, A.; Drees, K. A.; Durham, J. M.; Durum, A.; D'Orazio, L.; Engelmore, T.; Enokizono, A.; En'yo, H.; Esumi, S.; Eyser, K. O.; Fadem, B.; Feege, N.; Fields, D. E.; Finger, M.; Finger, M.; Fleuret, F.; Fokin, S. L.; Frantz, J. E.; Franz, A.; Frawley, A. D.; Fukao, Y.; Gainey, K.; Gal, C.; Gallus, P.; Garg, P.; Garishvili, A.; Garishvili, I.; Ge, H.; Giordano, F.; Glenn, A.; Gong, X.; Gonin, M.; Goto, Y.; Granier de Cassagnac, R.; Grau, N.; Greene, S. V.; Grosse Perdekamp, M.; Gu, Y.; Gunji, T.; Guragain, H.; Hachiya, T.; Haggerty, J. S.; Hahn, K. I.; Hamagaki, H.; Han, S. Y.; Hanks, J.; Hasegawa, S.; Hashimoto, K.; Hayano, R.; He, X.; Hemmick, T. K.; Hester, T.; Hill, J. C.; Hollis, R. S.; Homma, K.; Hong, B.; Hoshino, T.; Huang, J.; Huang, S.; Ichihara, T.; Ikeda, Y.; Imai, K.; Imazu, Y.; Inaba, M.; Iordanova, A.; Isenhower, D.; Isinhue, A.; Ivanishchev, D.; Jacak, B. V.; Jeon, S. J.; Jezghani, M.; Jia, J.; Jiang, X.; Johnson, B. M.; Joo, E.; Joo, K. S.; Jouan, D.; Jumper, D. S.; Kamin, J.; Kanda, S.; Kang, B. H.; Kang, J. H.; Kang, J. S.; Kapustinsky, J.; Kawall, D.; Kazantsev, A. V.; Key, J. A.; Khachatryan, V.; Khandai, P. K.; Khanzadeev, A.; Kihara, K.; Kijima, K. M.; Kim, C.; Kim, D. H.; Kim, D. J.; Kim, E. -J.; Kim, H. -J.; Kim, M.; Kim, Y. -J.; Kim, Y. K.; Kistenev, E.; Klatsky, J.; Kleinjan, D.; Kline, P.; Koblesky, T.; Kofarago, M.; Komkov, B.; Koster, J.; Kotchetkov, D.; Kotov, D.; Krizek, F.; Kurita, K.; Kurosawa, M.; Kwon, Y.; Lacey, R.; Lai, Y. S.; Lajoie, J. G.; Lebedev, A.; Lee, D. M.; Lee, G. H.; Lee, J.; Lee, K. B.; Lee, K. S.; Lee, S. H.; Leitch, M. J.; Leitgab, M.; Lewis, B.; Li, X.; Lim, S. H.; Liu, M. X.; Lynch, D.; Maguire, C. F.; Makdisi, Y. I.; Makek, M.; Manion, A.; Manko, V. I.; Mannel, E.; Maruyama, T.; McCumber, M.; McGaughey, P. L.; McGlinchey, D.; McKinney, C.; Meles, A.; Mendoza, M.; Meredith, B.; Miake, Y.; Mibe, T.; Mignerey, A. C.; Miller, A. J.; Milov, A.; Mishra, D. K.; Mitchell, J. T.; Miyasaka, S.; Mizuno, S.; Mohanty, A. K.; Montuenga, P.; Moon, T.; Morrison, D. P.; Moskowitz, M.; Moukhanova, T. V.; Murakami, T.; Murata, J.; Mwai, A.; Nagae, T.; Nagamiya, S.; Nagle, J. L.; Nagy, M. I.; Nakagawa, I.; Nakagomi, H.; Nakamiya, Y.; Nakamura, K. R.; Nakamura, T.; Nakano, K.; Nattrass, C.; Netrakanti, P. K.; Nihashi, M.; Niida, T.; Nouicer, R.; Novak, T.; Novitzky, N.; Nyanin, A. S.; O'Brien, E.; Ogilvie, C. A.; Oide, H.; Okada, K.; Orjuela Koop, J. D.; Oskarsson, A.; Ozaki, H.; Ozawa, K.; Pak, R.; Pantuev, V.; Papavassiliou, V.; Park, I. H.; Park, S.; Park, S. K.; Pate, S. F.; Patel, L.; Patel, M.; Peng, J. -C.; Perepelitsa, D. V.; Perera, G. D. N.; Peressounko, D. Yu.; Perry, J.; Petti, R.; Pinkenburg, C.; Pinson, R.; Pisani, R. P.; Purschke, M. L.; Qu, H.; Rak, J.; Ravinovich, I.; Read, K. F.; Reynolds, D.; Riabov, V.; Riabov, Y.; Richardson, E.; Riveli, N.; Roach, D.; Rolnick, S. D.; Rosati, M.; Rowan, Z.; Rubin, J. G.; Ryu, M. S.; Sahlmueller, B.; Saito, N.; Sakaguchi, T.; Sako, H.; Samsonov, V.; Sarsour, M.; Sato, S.; Sawada, S.; Schaefer, B.; Schmoll, B. K.; Sedgwick, K.; Seele, J.; Seidl, R.; Sekiguchi, Y.; Sen, A.; Seto, R.; Sett, P.; Sexton, A.; Sharma, D.; Shaver, A.; Shein, I.; Shibata, T. -A.; Shigaki, K.; Shimomura, M.; Shoji, K.; Shukla, P.; Sickles, A.; Silva, C. L.; Silvermyr, D.; Singh, B. K.; Singh, C. P.; Singh, V.; Skolnik, M.; Slune?ka, M.; Solano, S.; Soltz, R. A.; Sondheim, W. E.; Sorensen, S. P.; Soumya, M.; Sourikova, I. V.; Stankus, P. W.; Steinberg, P.; Stenlund, E.; Stepanov, M.; Ster, A.; Stoll, S. P.; Stone, M. R.; Sugitate, T.; Sukhanov, A.; Sumita, T.; Sun, J.; Sziklai, J.; Takahara, A.; Taketani, A.; Tanida, K.; Tannenbaum, M. J.; Tarafdar, S.; Taranenko, A.; Tennant, E.; Timilsina, A.; Todoroki, T.; Tomek, M.; Torii, H.; Towell, M.; Towell, R.; Towell, R. S.; Tserruya, I.; van Hecke, H. W.; Vargyas, M.; Vazquez-Zambrano, E.; Veicht, A.; Velkovska, J.; Vrtesi, R.; Virius, M.; Vrba, V.

    2014-12-18

    We report on J/? production from asymmetric Cu+Au heavy-ion collisions at \\(\\sqrt{s_{\\mathrm{NN}}} = 200\\) GeV at the Relativistic Heavy Ion Collider at both forward (Cu-going direction) and backward (Au-going direction) rapidities. The nuclear modification of J/? yields in Cu+Au collisions in the Au-going direction is found to be comparable to that in Au+Au collisions when plotted as a function of the number of participating nucleons. In the Cu-going direction, J/? production shows a stronger suppression. This difference is comparable in magnitude and has the same sign as the difference expected from shadowing effects due to stronger low-x gluon suppression in the larger Au nucleus. Thus, the relative suppression is opposite to that expected from hot nuclear matter dissociation, since a higher energy density is expected in the Au-going direction.

  4. Plasmon-enhanced reverse water gas shift reaction over oxide supported Au catalysts

    SciTech Connect (OSTI)

    Upadhye, AA; Ro, I; Zeng, X; Kim, HJ; Tejedor, I; Anderson, MA; Dumesic, JA; Huber, GW

    2015-01-01

    We show that localized surface plasmon resonance (LSPR) can enhance the catalytic activities of different oxide-supported Au catalysts for the reverse water gas shift (RWGS) reaction. Oxide-supported Au catalysts showed 30 to 1300% higher activity for RWGS under visible light compared to dark conditions. Au/TiO2 catalyst prepared by the deposition-precipitation (DP) method with 3.5 nm average Au particle size showed the highest activity for the RWGS reaction. Visible light is converted into chemical energy for this reaction with up to a 5% overall efficiency. A shift in the apparent activation energy (from 47 kJ mol(-1) in dark to 35 kJ mol(-1) in light) and apparent reaction order with respect to CO2 (from 0.5 in dark to 1.0 in light) occurs due to the LSPR. Our kinetic results indicate that the LSPR increases the rate of either the hydroxyl hydrogenation or carboxyl decomposition more than any other steps in the reaction network.

  5. Yields of photoneutron reactions on {sup 197}Au nuclei in the giant-dipole-resonance region

    SciTech Connect (OSTI)

    Belyshev, S. S.; Ermakov, A. N.; Ishkhanov, B. S.; Kuznetsov, A. A.; Kurilik, A. S.; Stopani, K. A.; Troschiev, S. Yu.

    2011-11-15

    Yields of photonuclear reactions on 197Au nuclei were measured in a beam of bremsstrahlung photons, the endpoint energy of the bremsstrahlung spectrum being 29.1 MeV. These measurements were performed by means of the gamma-activation procedure. The results obtained in this way were compared with the results of earlier experiments and theoretical calculations.

  6. Thermal stability of bimetallic Au/Fe nanoparticles in silica matrix

    SciTech Connect (OSTI)

    Pannu, Compesh Singh, Udai B. Hooda, Sonu Kabiraj, D. Avasthi, D. K.

    2014-04-24

    Thin silica film containing Au and Fe bimetallic nanoparticles were prepared by atom beam cosputtering. The samples were annealed at different temperatures from 400 to 800 C to study the thermal stability of bimetallic nanoparticles using X ray diffraction. It is observed that at 800 C strong structural rearrangement took place leading to thermal decomposition of bimetallic nanoparticles.

  7. Impact of strain on electronic defects in (Mg,Zn)O thin films

    SciTech Connect (OSTI)

    Schmidt, Florian Mller, Stefan; Wenckstern, Holger von; Benndorf, Gabriele; Pickenhain, Rainer; Grundmann, Marius

    2014-09-14

    We have investigated the impact of strain on the incorporation and the properties of extended and point defects in (Mg,Zn)O thin films by means of photoluminescence, X-ray diffraction, deep-level transient spectroscopy (DLTS), and deep-level optical spectroscopy. The recombination line Y?, previously detected in ZnO thin films grown on an Al-doped ZnO buffer layer and attributed to tensile strain, was exclusively found in (Mg,Zn)O samples being under tensile strain and is absent in relaxed or compressively strained thin films. Furthermore a structural defect E3 can be detected via DLTS measurements and is only incorporated in tensile strained samples. Finally it is shown that the omnipresent deep-level E3 in ZnO can only be optically recharged in relaxed ZnO samples.

  8. Enhancement of photoluminescence properties in ZnO/AlN bilayer

    Office of Scientific and Technical Information (OSTI)

    heterostructures grown by atomic layer deposition (Journal Article) | SciTech Connect Enhancement of photoluminescence properties in ZnO/AlN bilayer heterostructures grown by atomic layer deposition Citation Details In-Document Search Title: Enhancement of photoluminescence properties in ZnO/AlN bilayer heterostructures grown by atomic layer deposition The AlN/ZnO bilayer heterostructures were deposited on Si (100) substrate by thermal atomic layer deposition. X-ray diffraction results show

  9. Magnetism in undoped ZnS studied from density functional theory

    SciTech Connect (OSTI)

    Xiao, Wen-Zhi E-mail: llwang@hun.edu.cn; Rong, Qing-Yan; Xiao, Gang; Wang, Ling-ling E-mail: llwang@hun.edu.cn; Meng, Bo

    2014-06-07

    The magnetic property induced by the native defects in ZnS bulk, thin film, and quantum dots are investigated comprehensively based on density functional theory within the generalized gradient approximation + Hubbard U (GGA?+?U) approach. We find the origin of magnetism is closely related to the introduction of hole into ZnS systems. The relative localization of S-3p orbitals is another key to resulting in unpaired p-electron, due to Hund's rule. For almost all the ZnS systems under study, the magnetic moment arises from the S-dangling bonds generated by Zn vacancies. The charge-neutral Zn vacancy, Zn vacancy in 1? charge sate, and S vacancy in the 1+ charge sate produce a local magnetic moment of 2.0, 1.0, and 1.0??{sub B}, respectively. The Zn vacancy in the neutral and 1? charge sates are the important cause for the ferromagnetism in ZnS bulk, with a Curie temperature (T{sub C}) above room temperature. For ZnS thin film with clean (111) surfaces, the spins on each surface are ferromagnetically coupled but antiferromagnetically coupled between two surfaces, which is attributable to the internal electric field between the two polar (111) surfaces of the thin film. Only surface Zn vacancies can yield local magnetic moment for ZnS thin film and quantum dot, which is ascribed to the surface effect. Interactions between magnetic moments on S-3p states induced by hole-doping are responsible for the ferromagnetism observed experimentally in various ZnS samples.

  10. Structural Studies of Al:ZnO Powders and Thin Films | Stanford Synchrotron

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Radiation Lightsource Structural Studies of Al:ZnO Powders and Thin Films Monday, June 18, 2012 - 2:00pm SSRL Main Conference Room 137-322 Dr. Bridget Ingham, Associate Investigator, MacDiarmid Institute for Advanced Materials & Nanotechnology Al-doped ZnO (Al:ZnO) is a promising transparent conducting oxide. We have used complementary synchrotron and laboratory techniques to study the incorporation of Al within the ZnO lattice, and measure its effect on the crystallinity of thin films

  11. Analysis of Surface Chemistry and Detector Performance of Chemically Process CdZnTe crystals

    SciTech Connect (OSTI)

    HOSSAIN A.; Yang, G.; Sutton, J.; Zergaw, T.; Babalola, O. S.; Bolotnikov, A. E.; Camarda. ZG. S.; Gul, R.; Roy, U. N., and James, R. B.

    2015-10-05

    The goal is to produce non-conductive smooth surfaces for fabricating low-noise and high-efficiency CdZnTe devices.

  12. Defects in paramagnetic Co-doped ZnO films studied by transmission electron microscopy

    SciTech Connect (OSTI)

    Kovacs, Andras; Ney, A.; Duchamp, Martial; Ney, V.; Boothroyd, Chris; Galindo, Pedro L.; Kaspar, Tiffany C.; Chambers, Scott A.; Dunin-Borkowski, Rafal

    2013-12-23

    We have studied planar defects in epitaxial Co:ZnO dilute magnetic semiconductor thin films deposited on c-plane sapphire (Al2O3) and the Co:ZnO/Al2O3 interface structure at atomic resolution using aberration-corrected transmission electron microscopy (TEM) and electron energy-loss spectroscopy (EELS). Comparing Co:ZnO samples deposited by pulsed laser deposition and reactive magnetron sputtering, both exhibit extrinsic stacking faults, incoherent interface structures, and compositional variations within the first 3-4 Co:ZnO layers at the interface.. In addition, we have measured the local strain which reveals the lattice distortion around the stacking faults.

  13. Optical and morphological properties of graphene sheets decorated with ZnO nanowires via polyol enhancement

    SciTech Connect (OSTI)

    Sharma, Vinay, E-mail: winn201@gmail.com; Rajaura, Rajveer Singh, E-mail: winn201@gmail.com [Centre for Converging Technologies, University of Rajasthan, Jaipur - 302004 (India); Sharma, Preetam K.; Srivastava, Subodh; Vijay, Y. K. [Department of Physics, Thin Film and Membrane Science Lab., University of Rajasthan, Jaipur - 302004 (India); Sharma, S. S. [Department of Physics, Govt. Women Engineering College, Ajmer- 305002 (India)

    2014-04-24

    Graphene-ZnO nanocomposites have proven to be very useful materials for photovoltaic and sensor applications. Here, we report a facile, one-step in situ polymerization method for synthesis of graphene sheets randomly decorated with zinc oxide nanowires using ethylene glycol as solvent. We have used hydrothermal treatment for growth of ZnO nanowires. UV-visible spectra peak shifting around 288nm and 307 nm shows the presence of ZnO on graphene structure. Photoluminiscence spectra (PL) in 400nm-500nm region exhibits the luminescence quenching effect. Scanning electron microscopy (SEM) image confirms the growth of ZnO nanowires on graphene sheets.

  14. Metallic filament formation by aligned oxygen vacancies in ZnO-based resistive switches

    SciTech Connect (OSTI)

    Gu, Tingkun

    2014-05-28

    The electronic structure of ZnO with defects of oxygen vacancies were investigated by using first-principles methods. Some structure models were constructed in order to investigate the effects of the distribution of oxygen vacancies on the electronic properties of ZnO. By analyzing the calculated results, we found that only the aligned oxygen vacancies can form the conducting channel in ZnO, and the transformation of the oxygen vacancy from charged state to neutral state is consistent with the energetics rule of the forming aligned oxygen vacancies. As for the heterojunction of Pt/ZnO/Pt, the oxygen vacancies near the interface of Pt/ZnO depress the local Schottky barrier effectively, and the aligned oxygen vacancies in ZnO form a conducting filament connecting two Pt electrodes. The metallic filament formation in Pt/ZnO/Pt resistive switching cells should be closely related to the carrier injection from Pt electrode into ZnO and the arrangement of oxygen vacancies in ZnO slab.

  15. Nonlinear optical characterization of ZnS thin film synthesized by chemical spray pyrolysis method

    SciTech Connect (OSTI)

    G, Sreeja V; Anila, E. I. R, Reshmi John, Manu Punnan; V, Sabitha P; Radhakrishnan, P.

    2014-10-15

    ZnS thin film was prepared by Chemical Spray Pyrolysis (CSP) method. The sample was characterized by X-ray diffraction method and Z scan technique. XRD pattern showed that ZnS thin film has hexagonal structure with an average size of about 5.6nm. The nonlinear optical properties of ZnS thin film was studied by open aperture Z-Scan technique using Q-switched Nd-Yag Laser at 532nm. The Z-scan plot showed that the investigated ZnS thin film has saturable absorption behavior. The nonlinear absorption coefficient and saturation intensity were also estimated.

  16. Visible light photocatalytic property of Zn doped V{sub 2}O{sub 5} nanoparticles

    SciTech Connect (OSTI)

    Suresh, R.; Giribabu, K.; Vijayalakshmi, L.; Stephen, A.; Narayanan, V.

    2012-06-05

    The Zn doped V{sub 2}O{sub 5} nanoparticles were synthesized by thermal decomposition method. The prepared samples were characterized by various techniques like Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) studies, UV-Visible spectroscopy (UV-Vis) and field emission scanning electron microscopy (FE-SEM). The photocatalytic activities of pure and Zn doped V{sub 2}O{sub 5} nanoparticles were examined based on the photodegradation of Rhodamine B (RhB). Experimental results indicated that the Zn doped V{sub 2}O{sub 5} photocatalyst (the molar ratio of V to Zn is 99: 1) exhibited maximum photocatalytic activity.

  17. Green synthesis of graphene nanosheets/ZnO composites and electrochemical properties

    SciTech Connect (OSTI)

    Wang Jun; Gao Zan; Li Zhanshuang; Wang Bin; Yan Yanxia; Liu Qi; Mann, Tom; Zhang Milin; Jiang Zhaohua

    2011-06-15

    A green and facile approach was demonstrated to prepare graphene nanosheets/ZnO (GNS/ZnO) composites for supercapacitor materials. Glucose, as a reducing agent, and exfoliated graphite oxide (GO), as precursor, were used to synthesize GNS, then ZnO directly grew onto conducting graphene nanosheets as electrode materials. The small ZnO particles successfully anchored onto graphene sheets as spacers to keep the neighboring sheets separate. The electrochemical performances of these electrodes were analyzed by cyclic voltammetry, electrochemical impedance spectrometry and chronopotentiometry. Results showed that the GNS/ZnO composites displayed superior capacitive performance with large capacitance (62.2 F/g), excellent cyclic performance, and maximum power density (8.1 kW/kg) as compared with pure graphene electrodes. Our investigation highlight the importance of anchoring of small ZnO particles on graphene sheets for maximum utilization of electrochemically active ZnO and graphene for energy storage application in supercapacitors. - Graphical abstract: Glucose was used to synthesize GNS, then ZnO directly grew onto conducting graphene nanosheets as electrode materials for supercapacitor. Results showed that the composites have superior capacitive performance. Highlights: > Graphene nanosheets were synthesized via using glucose as a reducing agent. > The reductant and the oxidized product are environmentally friendly. > ZnO grew onto conducting graphene sheets keeping neighboring sheets separate. > The structure improves the contact between the electrode and the electrolyte. > Results showed that these composites have good electrochemical property.

  18. Synthesis and characterization of ZnO and Ni doped ZnO nanorods by thermal decomposition method for spintronics application

    SciTech Connect (OSTI)

    Saravanan, R.; Santhi, Kalavathy; Sivakumar, N.; Narayanan, V.; Stephen, A.

    2012-05-15

    Zinc oxide nanorods and diluted magnetic semiconducting Ni doped ZnO nanorods were prepared by thermal decomposition method. This method is simple and cost effective. The decomposition temperature of acetate and formation of oxide were determined by TGA before the actual synthesis process. The X-ray diffraction result indicates the single phase hexagonal structure of zinc oxide. The transmission electron microscopy and scanning electron microscopy images show rod like structure of ZnO and Ni doped ZnO samples with the diameter {approx} 35 nm and the length in few micrometers. The surface analysis was performed using X-ray photoelectron spectroscopic studies. The Ni doped ZnO exhibits room temperature ferromagnetism. This diluted magnetic semiconducting Ni doped ZnO nanorods finds its application in spintronics. - Highlights: Black-Right-Pointing-Pointer The method used is very simple and cost effective compared to all other methods for the preparation DMS materials. Black-Right-Pointing-Pointer ZnO and Ni doped ZnO nanorods Black-Right-Pointing-Pointer Ferromagnetism at room temperature.

  19. Controlled fabrication and tunable photoluminescence properties of Mn{sup 2+} doped grapheneZnO composite

    SciTech Connect (OSTI)

    Luan, Xinglong; Zhang, Yihe Tong, Wangshu; Shang, Jiwu; An, Qi; Huang, Hongwei

    2014-11-15

    Highlights: GrapheneZnO composites were synthesized by a mixed solvothermal method. ZnO quantum dots are distributed uniformly on the graphene sheets. A possible hypothesis is raised for the influence of graphene oxide on the nucleation of ZnO. Mn{sup 2+} doped grapheneZnO composites were fabricated and the emission spectra can be tuned by doping. - Abstract: GrapheneZnO composites (GZnO) with controlled morphology and photoluminescence property were synthesized by a mixed solvothermal method. Mixed solvent were composed by dimethyl sulfoxide and ethylene glycol. Fourier transform infrared spectroscopy, transmission electron microscopy and photoluminescence spectra were used to characterize GZnO. Graphene as a substrate can help the distribution and the dispersity of ZnO, and a possible model of the interaction between graphene oxide and ZnO particles is proposed. At the same time, graphene also reduce the size of ZnO particles to about 5 nm. Furthermore, Mn{sup 2+} ions dopes GZnO successfully by the mixed solvothermal synthesis and the doping of Mn{sup 2+} makes GZnO shift red from 465 nm to 548 nm and 554 nm in the emission spectrum. The changes of the emission spectrum by the adding of Mn{sup 2+} make GZnO have tunable photoluminescence spectrum which is desirable for practical applications.

  20. Structural Stability and Defect Energetics of ZnO from Diffusion Quantum Monte Carlo

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Santana Palacio, Juan A; Krogel, Jaron T; Kim, Jeongnim; Kent, Paul R; Reboredo, Fernando A

    2015-01-01

    We have applied the many-body ab-initio diffusion quantum Monte Carlo (DMC) method to study Zn and ZnO crystals under pressure, and the energetics of the oxygen vacancy, zinc interstitial and hydrogen impurities in ZnO. We show that DMC is an accurate and practical method that can be used to characterize multiple properties of materials that are challenging for density functional theory approximations. DMC agrees with experimental measurements to within 0.3 eV, including the band-gap of ZnO, the ionization potential of O and Zn, and the atomization energy of O2, ZnO dimer, and wurtzite ZnO. DMC predicts the oxygen vacancy asmore » a deep donor with a formation energy of 5.0(2) eV under O-rich conditions and thermodynamic transition levels located between 1.8 and 2.5 eV from the valence band maximum. Our DMC results indicate that the concentration of zinc interstitial and hydrogen impurities in ZnO should be low under n-type, and Zn- and H-rich conditions because these defects have formation energies above 1.4 eV under these conditions. Comparison of DMC and hybrid functionals shows that these DFT approximations can be parameterized to yield a general correct qualitative description of ZnO. However, the formation energy of defects in ZnO evaluated with DMC and hybrid functionals can differ by more than 0.5 eV.« less

  1. Magnetic doping of the golden cage cluster M@Au16¯ (M=Fe,Co,Ni) (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Magnetic doping of the golden cage cluster M@Au16¯ (M=Fe,Co,Ni) Citation Details In-Document Search Title: Magnetic doping of the golden cage cluster M@Au16¯ (M=Fe,Co,Ni) Structural, electronic, and magnetic properties of the golden cage doped with a transition-metal atom, M@Au16¯ (M=Fe,Co,Ni), are investigated using trapped ion electron diffraction, photoelectron spectroscopy, and density-functional theory. The best agreement to experiment is obtained for

  2. Fine structure on the green band in ZnO

    SciTech Connect (OSTI)

    Reynolds, D. C.; Look, D. C.; Jogai, B.

    2001-06-01

    An emission band at 2.4 eV, called the green band, is observed in most ZnO samples, no matter what growth technique is used. Sometimes this band includes fine structure, which consists mainly of doublets, repeated with a longitudinal-optical-phonon-energy spacing (72 meV). We have developed a vibronic model for the green band, based on transitions from two separate shallow donors to a deep acceptor. The donors, at energies 30 and 60 meV from the conduction-band edge, respectively, are also found from Hall-effect measurements. {copyright} 2001 American Institute of Physics.

  3. Energy dependence of Kπ, pπ and Kp fluctuations in Au+Au collisions from √sNN=7.7 to 200 GeV

    SciTech Connect (OSTI)

    Adamczyk, L.

    2015-08-07

    A search for the quantum chromodynamics (QCD) critical point was performed by the STAR experiment at the Relativistic Heavy Ion Collider, using dynamical fluctuations of unlike particle pairs. Heavy ion collisions were studied over a large range of collision energies with homogeneous acceptance and excellent particle identification, covering a significant range in the QCD phase diagram where a critical point may be located. Dynamical Kπ, pπ, and Kp fluctuations as measured by the STAR experiment in central 0–5% Au+Au collisions from center-of-mass collision energies √sNN=7.7 to 200 GeV are presented. The observable νdyn was used to quantify the magnitude of the dynamical fluctuations in event-by-event measurements of the Kπ, pπ, and Kp pairs. The energy dependences of these fluctuations from central 0–5% Au+Au collisions all demonstrate a smooth evolution with collision energy.

  4. Post-Growth Annealing of Bridgman-grown CdZnTe and CdMnTe Crystals...

    Office of Scientific and Technical Information (OSTI)

    Title: Post-Growth Annealing of Bridgman-grown CdZnTe and CdMnTe Crystals for Room-temperature Nuclear Radiation Detectors Bridgman-grown cadmium zinc telluride (CdZnTe or CZT) and ...

  5. Centrality dependence of low-momentum direct-photon production in Au+Au collisions at ?sNN = 200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.

    2015-06-05

    The PHENIX experiment at RHIC has measured the centrality dependence of the direct photon yield from Au+Au collisions at ?sNN = 200 GeV down to pT = 0.4 GeV/c. Photons are detected via photon conversions to e?e? pairs and an improved technique is applied that minimizes the systematic uncertainties that usually limit direct photon measurements, in particular at low pT . We find an excess of direct photons above the Ncoll-scaled yield measured in p+p collisions. This excess yield is well described by an exponential distribution with an inverse slope of about 240 MeV/c in the pT range from 0.62.0moreGeV/c. While the shape of the pT distribution is independent of centrality within the experimental uncertainties, the yield increases rapidly with increasing centrality, scaling approximately with N ? part, where ? = 1.380.03(stat)0.07(syst).less

  6. Centrality dependence of low-momentum direct-photon production in Au+Au collisions at sNN=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.; Afanasiev, S.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Akimoto, R.; Al-Bataineh, H.; Al-Ta'ani, H.; Alexander, J.; Angerami, A.; et al

    2015-06-05

    The PHENIX experiment at RHIC has measured the centrality dependence of the direct photon yield from Au+Au collisions at √sNN = 200 GeV down to pT = 0.4 GeV/c. Photons are detected via photon conversions to e⁺e⁻ pairs and an improved technique is applied that minimizes the systematic uncertainties that usually limit direct photon measurements, in particular at low pT . We find an excess of direct photons above the Ncoll-scaled yield measured in p+p collisions. This excess yield is well described by an exponential distribution with an inverse slope of about 240 MeV/c in the pT range from 0.6–2.0more »GeV/c. In this study, while the shape of the pT distribution is independent of centrality within the experimental uncertainties, the yield increases rapidly with increasing centrality, scaling approximately with N α part, where α = 1.38±0.03(stat)±0.07(syst).« less

  7. Charged-to-neutral correlation at forward rapidity in Au+Au collisions at sNN=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; et al

    2015-03-20

    Event-by-event fluctuations of the ratio of inclusive charged to photon multiplicities at forward rapidity in Au+Au collision at √sNN=200 GeV have been studied. Dominant contribution to such fluctuations is expected to come from correlated production of charged and neutral pions. We search for evidences of dynamical fluctuations of different physical origins. Observables constructed out of moments of multiplicities are used as measures of fluctuations. Mixed events and model calculations are used as baselines. Results are compared to the dynamical net-charge fluctuations measured in the same acceptance. A non-zero statistically significant signal of dynamical fluctuations is observed in excess to themore »model prediction when charged particles and photons are measured in the same acceptance. Thus, we find that, unlike dynamical net-charge fluctuation, charge-neutral fluctuation is not dominated by correlation due to particle decay. Results are compared to the expectations based on the generic production mechanism of pions due to isospin symmetry, for which no significant (« less

  8. Centrality dependence of low-momentum direct-photon production in Au+Au collisions at sNN=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.; Afanasiev, S.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Akimoto, R.; Al-Bataineh, H.; Al-Ta'ani, H.; Alexander, J.; Angerami, A.; et al

    2015-06-05

    The PHENIX experiment at RHIC has measured the centrality dependence of the direct photon yield from Au+Au collisions at √sNN = 200 GeV down to pT = 0.4 GeV/c. Photons are detected via photon conversions to e⁺e⁻ pairs and an improved technique is applied that minimizes the systematic uncertainties that usually limit direct photon measurements, in particular at low pT . We find an excess of direct photons above the Ncoll-scaled yield measured in p+p collisions. This excess yield is well described by an exponential distribution with an inverse slope of about 240 MeV/c in the pT range from 0.6–2.0more » GeV/c. In this study, while the shape of the pT distribution is independent of centrality within the experimental uncertainties, the yield increases rapidly with increasing centrality, scaling approximately with N α part, where α = 1.38±0.03(stat)±0.07(syst).« less

  9. Charged-to-neutral correlation at forward rapidity in Au+Au collisions at sNN=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; et al

    2015-03-20

    Event-by-event fluctuations of the ratio of inclusive charged to photon multiplicities at forward rapidity in Au+Au collision at √sNN=200 GeV have been studied. Dominant contribution to such fluctuations is expected to come from correlated production of charged and neutral pions. We search for evidences of dynamical fluctuations of different physical origins. Observables constructed out of moments of multiplicities are used as measures of fluctuations. Mixed events and model calculations are used as baselines. Results are compared to the dynamical net-charge fluctuations measured in the same acceptance. A non-zero statistically significant signal of dynamical fluctuations is observed in excess to themore » model prediction when charged particles and photons are measured in the same acceptance. Thus, we find that, unlike dynamical net-charge fluctuation, charge-neutral fluctuation is not dominated by correlation due to particle decay. Results are compared to the expectations based on the generic production mechanism of pions due to isospin symmetry, for which no significant (< 1%) deviation is observed.« less

  10. Synthesis, structural and optical characterization of undoped, N-doped ZnO and co-doped ZnO thin films

    SciTech Connect (OSTI)

    Pathak, Trilok Kumar Kumar, R.; Purohit, L. P.

    2015-05-15

    ZnO, N-doped ZnO and Al-N co-doped ZnO thin films were deposited on ITO coated corning glass by spin coater using sol-gel method. The films were annealed in air at 450C for one hour. The crystallographic structure and morphology of the films were studied by X-ray diffraction (XRD) and scanning electron microscopy (SEM) respectively. The X-ray diffraction results confirm that the thin films are of wurtzite hexagonal with a very small distortion. The optical properties were investigated by transmission spectra of different films using spectrophotometer (Shimadzu UV-VIS-NIR 3600). The results indicate that the N doped ZnO thin films have obviously enhanced transmittance in visible region. Moreover, the thickness of the films has strong influences on the optical constants.

  11. Hierarchical Ag/ZnO micro/nanostructure: Green synthesis and enhanced photocatalytic performance

    SciTech Connect (OSTI)

    Gao, Shuyan; Jia, Xiaoxia; Yang, Shuxia; Li, Zhengdao; Jiang, Kai

    2011-04-15

    Ag/ZnO metal-semiconductor nanocomposites with hierarchical micro/nanostructure have been prepared by the hydrothermal synthesis in the presence of bovine serum albumin (BSA). The results suggest that this biomolecule-assisted hydrothermal method is an efficient route for the fabrication of Ag/ZnO nanocomposites by using BSA both a shape controller and a reducing agent of Ag{sup +} ions. Moreover, Ag nanoparticles on the ZnO act as electron sinks, improving the separation of photogenerated electrons and holes, increasing the surface hydroxyl contents of ZnO, facilitating trapping the photoinduced electrons and holes to form more active hydroxyl radicals, and thus, enhancing the photocatalytic efficiency of ZnO. This is a good example for the organic combination of green chemistry and functional materials. -- Graphical Abstract: A green strategy is report to construct Ag/ZnO metal-semiconductor nanocomposites with hierarchical micro/nanostructure and enhanced photocatalytic activity. Display Omitted Research highlights: > Hierarchical micro/nanostructured Ag/ZnO nanocomposites have been prepared via a green route. > Ag nanoparticles improve the separation of photogenerated electrons and holes. > This facilitates trapping the photoinduced electrons and holes to form more hydroxyl radicals. Therefore, it enhances the photocatalytic efficiency of ZnO.

  12. Magnetic and structural properties of Zn doped MnV{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Shahi, Prashant; Shukla, K. K.; Singh, Rahul; Chatterjee, Sandip; Das, A.; Ghosh, A. K.; Nigam, A. K.

    2014-04-24

    The magnetization, Neutron diffraction and X-ray diffraction of Zn doped MnV{sub 2}O{sub 4} as a function of temperature have been measured. It has been observed, with increase of Zn the non-linear orientation of Mn spins with the V spins will decrease which effectively decrease the structural transition temperature more rapidly than Curie Temperature.

  13. Mid-Gap Electronic States in Zn1 xMnxO

    SciTech Connect (OSTI)

    Johnson, Claire A.; Kittilstved, Kevin R.; Kaspar, Tiffany C.; Droubay, Timothy C.; Chambers, Scott A.; Salley, G. Mackay; Gamelin, Daniel R.

    2010-09-02

    Electronic absorption, magnetic circular dichroism, photoconductivity, and valence-band X-ray photoelectron (XPS) spectroscopic measurements were performed on epitaxial Zn1 xMnxO films to investigate the origin of the new mid-gap band that appears upon introduction of Mn2+ into the ZnO lattice. Absorption and MCD spectroscopies reveal Mn2+-related intensity at energies below the first excitonic transition of ZnO, tailing well into the visible energy region, with an onset at ~2.2 eV. Photoconductivity measurements show that excitation into this visible band generates mobile charge carriers, consistent with assignment as a Mn2+/3+ photoionization transition. XPS measurements reveal the presence of occupied Mn2+ levels just above the valence-band edge, supporting this assignment. Magnetic circular dichroism measurements additionally show a change in sign and large increase in magnitude of the excitonic Zeeman splitting in Zn1 xMnxO relative to ZnO, suggesting that sp-d exchange in Zn1 xMnxO is not as qualitatively different from those in other II-VI diluted magnetic semiconductors as has been suggested. The singular electronic structure feature of Zn1 xMnxO is its Mn2+/3+ ionization level within the gap, and the influence of this level on other physical properties of Zn1 xMnxO is discussed.

  14. Band-gap tailoring of ZnO by means of heavy Al doping

    SciTech Connect (OSTI)

    Sernelius, B.E.; Berggren, K.; Jin, Z.; Hamberg, I.; Granqvist, C.G.

    1988-06-15

    Films of ZnO:Al were produced by weakly reactive dual-target magnetron sputtering. Optical band gaps, evaluated from spectrophotometric data, were widened in proportion to the Al doping. The widening could be quantitatively reconciled with an effective-mass model for n-doped semiconductors, provided the polar character of ZnO was accounted for.

  15. Facile synthesis of pompon-like ZnO-Ag nanocomposites and their enhanced photocatalytic performance

    SciTech Connect (OSTI)

    Cheng, Yang; An, Liang; Lan, Jing; Gao, Fang; Tan, Ruiqin; Li, Xiao-min; Wang, Guang-hui

    2013-10-15

    Graphical abstract: - Highlights: Pompon-like ZnO-Ag was prepared via heterothermal and photodeposition method. Pompon-like ZnO-Ag is a excellent photocatalyst for degradation of azo dyes. The photocatalytic and wetting properties were studied upon UV irradiation. The discoloring efficiency of ZnO-Ag heterostructure toward to azo dyes is 99.1%. - Abstract: A series of pompon-like ZnO-Ag nanocomposites were prepared by hydrothermal method and photochemical deposition technique. Several characterizations indicated the successful deposition of Ag nanoparticles on ZnO. As a whole, the as-prepared composites present pompon-like nanostructures with a diameter of ?10 ?m. In detail, the nanostructural, chemical and optical properties were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), infrared spectroscopy (IR), ultra-visible spectra (UV). The photocatalytic degradation experiments under UV irradiation using Methyl Orange (MO) as a model dye were executed here. The relative results demonstrated that the pompon-like ZnO-Ag nanocomposite with a suitable content of Ag nanoparticles (about 4.82 wt%) has the highest photochemical activity, and the removal ratio of MO was 99.1% after 0.5 h adsorption and subsequent 2 h photodegradation processes. The excellent photocatalytic performance was attributed to the high surface areas of ZnO nanostructure and effectively separation of photo-generated charge on flower-like ZnO by employing Ag nanoparticles as a conductor.

  16. The adsorption and reaction of vinyl acetate on Au/Pd(100) alloy surfaces

    SciTech Connect (OSTI)

    Li, Zhenjun [Pacific Northwest National Laboratory (PNNL); Calaza, Florencia C [ORNL; Tysoe, Wilfred [University of Wisconsin, Milwaukee

    2012-01-01

    The surface chemistry of vinyl acetate monomer (VAM) is studied on Au/Pd(100) alloys as a function of alloy composition using temperature-programmed desorption and reflection adsorption infrared spectroscopy. VAM adsorbs weakly on isolated palladium sites on the alloy with a heat of adsorption of ~55 kJ/mol, with the plane of the VAM adsorbed close to parallel to the surface. The majority of the VAM adsorbed on isolated sites desorbs molecularly with only a small portion decomposing. At lower gold coverages (below ~0.5 ML of gold), where palladium palladium bridge sites are present, VAM binds to the surface in a distorted geometry via a rehybridized vinyl group. A larger proportion of this VAM decomposes and this reaction is initiated by C\\O bond scission in the VAM to form adsorbed acetate and vinyl species. The implication of this surface chemistry for VAM synthesis on Au/Pd(100) alloys is discussed.

  17. Self-organization of S adatoms on Au(111): ?3R30 rows at low coverage

    SciTech Connect (OSTI)

    Walen, Holly; Liu, Da -Jiang; Oh, Junepyo; Lim, Hyunseob; Evans, J. W.; Kim, Yousoo; Thiel, P. A.

    2015-07-06

    Using scanning tunneling microscopy, we observe an adlayer structure that is dominated by short rows of S atoms, on unreconstructed regions of a Au(111) surface. This structure forms upon adsorption of low S coverage (less than 0.1 monolayer) on a fully reconstructed cleansurface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30 from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by ?3 times the surface lattice constant, a. Monte Carlo simulations are performed on lattice-gas models, we derived using a limited cluster expansion based on density functional theory energetics. Furthermore, models which include long-range pairwise interactions (extending to 5a), plus selected trio interactions, successfully reproduce the linear rows of S atoms at reasonable temperatures.

  18. Surface Plasmon Excitation via Au Nanoparticles in CdSe Semiconductor

    SciTech Connect (OSTI)

    Pradhan, A. K.; Konda, R. B.; Mundle, R.; Mustafa, H.; Bamiduro, O.; Roy, U. N.; Cui, Y.; Burger, A.

    2008-10-23

    We present experimental evidence for the large Raman and photoluminescence enhancement in CdSe semiconductor films grown on Si and glass substrates due to excitation of surface plasmon resonances in proximate gold metal nanoparticles deposited on the surface of CdSe film. Heterojunction diodes containing n-CdSe on p-Si semiconductor were fabricated and the surface of the diodes was in situ coated with Au nanoparticles using the ultra-high vacuum pulsed-laser deposition technique. A significant enhancement of the photocurrent was obtained in CdSe/p-Si containing Au nanoparticles on the surface compared to CdSe/p-Si due to the enhanced photo-absorption within the semiconductor by the phenomenon of surface plasmon resonance. These observations suggest a variety of approaches for improving the performance of devices such as photodetectors, photovoltaic, and related devices, including biosensors.

  19. The (111) Surface of NaAu2. Structure, Composition, and Stability

    SciTech Connect (OSTI)

    Kwolek, Emma J.; Widmer, Roland; Grning, Oliver; Deniz, Okan; Walen, Holly; Yuen, Chad D.; Huang, Wenyu; Schlagel, Deborah L.; Wallingford, Mark; Thiel, Patricia A.

    2014-12-17

    The (111) surface of single-crystal NaAu2 is a model for catalytically active, powdered NaAu2. We prepare and characterize this surface with a broad suite of techniques. Preparation in ultrahigh vacuum consists of the traditional approach of ion bombardment (to remove impurities) and thermal annealing (to restore surface order). Both of these steps cause loss of sodium (Na), and repeated treatments eventually trigger conversion of the surface and near-surface regions to crystalline gold. The bulk has a limited ability to repopulate the surface Na. Under conditions where Na depletion is minimized, electron diffraction patterns are consistent with the bulk-terminated structure, and scanning tunneling microscopy reveals mesa-like features with lateral dimensions of a few tens of nanometers. The tops of the mesas do not possess fine structure characteristic of a periodic lattice, suggesting that the surface layer is disordered under the conditions of these experiments.

  20. Synthesis and characterization of novel WO{sub 3} loaded AgZnO and its photocatalytic activity

    SciTech Connect (OSTI)

    Subash, B.; Krishnakumar, B.; Pandiyan, V.; Swaminathan, M.; Shanthi, M.

    2013-01-15

    Graphical abstract: Display Omitted Highlights: ? A novel WO{sub 3} loaded AgZnO was prepared by a simple solvothermal method. ? Ag traps the electron from both ZnO and WO{sub 3} reducing electrohole recombination. ? WO{sub 3}AgZnO is more efficient than AgZnO, WO{sub 3}ZnO, AgWO{sub 3} and undoped catalysts. ? WO{sub 3}AgZnO material will be much useful for the treatment of dye effluents. -- Abstract: A novel WO{sub 3} loaded AgZnO photocatalyst was successfully synthesized by a simple solvothermal method and characterized by X-ray diffraction (XRD), field emission scanning electron microscope (FE-SEM) images, energy dispersive spectrum (EDS), diffuse reflectance spectra (DRS), photoluminescence spectra (PL), cyclic voltammetry (CV) and BrunauerEmmettTeller (BET) surface area measurements. The photocatalytic activity of WO{sub 3}AgZnO was investigated for the degradation of RR 120 and RO 4 dyes in aqueous solution using UV-A light. WO{sub 3}AgZnO is found to be more efficient than AgZnO, WO{sub 3}ZnO, AgWO{sub 3}, commercial ZnO, prepared ZnO, TiO{sub 2}-P25 and TiO{sub 2} (Merck) at neutral pH for the mineralization of dyes. First time we have reported that novel WO{sub 3} loaded AgZnO has been found to be very efficient for two azo dyes removal when compared to commercially available catalyst (Degussa P25, ZnO (Merck) and TiO{sub 2} (Merck)). The mineralization of dyes has been confirmed by chemical oxygen demand (COD) measurements. A mechanism of degradation has been proposed for the higher efficiency of WO{sub 3}AgZnO.

  1. Radio observations reveal a smooth circumstellar environment around the extraordinary type Ib supernova 2012au

    SciTech Connect (OSTI)

    Kamble, Atish; Soderberg, Alicia M.; Margutti, Raffaella; Milisavljevic, Dan; Chakraborti, Sayan; Dittmann, Jason; Drout, Maria; Sanders, Nathan; Chomiuk, Laura; Medvedev, Mikhail; Chevalier, Roger; Chugai, Nikolai; Fransson, Claes; Nakar, Ehud

    2014-12-10

    We present extensive radio and X-ray observations of SN 2012au, an energetic, radio-luminous supernova of Type Ib that exhibits multi-wavelength properties bridging subsets of hydrogen-poor superluminous supernovae, hypernovae, and normal core-collapse supernovae. The observations closely follow models of synchrotron emission from a shock-heated circumburst medium that has a wind density profile (??r {sup 2}). We infer a sub-relativistic velocity for the shock wave v ? 0.2 c and a radius of r ? 1.4 10{sup 16}cm at 25 days after the estimated date of explosion. For a wind velocity of 1000 km s{sup 1}, we determine the mass-loss rate of the progenitor to be M-dot =3.610{sup ?6} M{sub ?} yr{sup ?1}, consistent with the estimates from X-ray observations. We estimate the total internal energy of the radio-emitting material to be E ? 10{sup 47} erg, which is intermediate to SN 1998bw and SN 2002ap. The evolution of the radio light curve of SN 2012au is in agreement with its interaction with a smoothly distributed circumburst medium and the absence of stellar shells ejected from previous outbursts out to r ? 10{sup 17} cm from the supernova site. We conclude that the bright radio emission from SN 2012au was not dissimilar from other core-collapse supernovae despite its extraordinary optical properties, and that the evolution of the SN 2012au progenitor star was relatively quiet, marked with a steady mass loss, during the final years preceding explosion.

  2. Plasmonic Based Sensing Using an Array of Au-Metal Oxide Thin Films

    SciTech Connect (OSTI)

    Joy, N.; Rogers, Phillip H.; Nandasiri, Manjula I.; Thevuthasan, Suntharampillai; Carpenter, Michael A.

    2012-12-04

    An optical plasmonic-based sensing array has been developed and tested for the selective and sensitive detection of H2, CO, and NO2 at a temperature of 500C in an oxygen-containing background. The three element sensing array used Au nanoparticles embedded in separate thin films of yttria stabilized zirconia (YSZ), CeO2, and TiO2. A peak in the absorbance spectrum due to a localized surface plasmon resonance (LSPR) on the Au nanoparticles was monitored for each film during gas exposures and showed a blue shift in the peak positions for the reducing gases, H2 and CO, and a red shift for the oxidizing gas NO2. A more in-depth look at the sensing response was performed using the multivariate methods of principal component analysis (PCA) analysis and linear discriminant analysis (LDA) on data from across the entire absorbance spectrum range. Qualitative results from both methods showed good separation between the three analytes for both the full array and the Au-TiO2 sample. Quantification of LDA cluster separation using the Mahalanobis distance showed better cluster separation for the array, but there were some instances with the lowest concentrations where the single Au-TiO2 film had better separation than the array. A second method to quantify cluster separation in LDA space was developed using multidimensional volume analysis of the individual cluster volume, overlapped cluster volume and empty volume between clusters. Compared to the individual sensing elements, the array showed less cluster overlap, smaller cluster volumes, and more space between clusters, all of which were expected for improved separability between the analytes.

  3. Controlled etching of hexagonal ZnO architectures in an alcohol thermal process

    SciTech Connect (OSTI)

    Wu, Junshu [State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116012 (China)] [State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116012 (China); Xue, Dongfeng, E-mail: dfxue@chem.dlut.edu.cn [State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116012 (China)] [State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116012 (China)

    2010-03-15

    An alcohol thermal technique was applied to the controlled growth of hexagonal ZnO architectures via selective chemical etching. ZnO microdisks were produced first under mild alcohol thermal conditions in presence of formamide. Due to a higher surface energy/atomic density of Zn{sup 2+} {l_brace}0 0 0 1{r_brace} than that of the other faces, hexagonal ZnO microring was obtained by selectively etching positive polar surface of disk-like precursor with a high density of planar defects at the center. The selective etching of ZnO is related to its crystallographic characteristics of surface polarity and chemical activities, which opens a new opportunity for the shape-controlled synthesis of wurtzite-structured materials.

  4. Emission Properties from ZnO Quantum Dots Dispersed in SiO{sub 2} Matrix

    SciTech Connect (OSTI)

    Panigrahi, Shrabani; Basak, Durga

    2011-07-15

    Dispersion of ZnO quantum dots in SiO{sub 2} matrix has been achieved in two techniques based on StOeber method to form ZnO QDs-SiO{sub 2} nanocomposites. Sample A is formed with random dispersion by adding tetraethyl orthosilicate (TEOS) to an ethanolic solution of ZnO nanoparticles and sample B is formed with a chain-like ordered dispersion by adding ZnO nanoparticles to an already hydrolyzed ethanolic TEOS solution. The photoluminescence spectra of the as-grown nanocomposites show strong emission in the ultraviolet region. When annealed at higher temperature, depending on the sample type, these show strong red or white emission. Interestingly, when the excitation is removed, the orderly dispersed ZnO QDs-SiO{sub 2} composite shows a very bright blue fluorescence visible by naked eyes for few seconds indicating their promise for display applications.

  5. Atomic layer deposition of zinc sulfide with Zn(TMHD){sub 2}

    SciTech Connect (OSTI)

    Short, Andrew; Jewell, Leila; Doshay, Sage; Church, Carena; Keiber, Trevor; Bridges, Frank; Carter, Sue; Alers, Glenn

    2013-01-15

    The atomic layer deposition (ALD) of ZnS films with Zn(TMHD){sub 2} and in situ generated H{sub 2}S as precursors was investigated, over a temperature range of 150-375 Degree-Sign C. ALD behavior was confirmed by investigation of growth behavior and saturation curves. The properties of the films were studied with atomic force microscopy, scanning electron microscopy, energy-dispersive x-ray spectroscopy, ultraviolet-visible-infrared spectroscopy, and extended x-ray absorption fine structure. The results demonstrate a film that can penetrate a porous matrix, with a local Zn structure of bulk ZnS, and a band gap between 3.5 and 3.6 eV. The ZnS film was used as a buffer layer in nanostructured PbS quantum dot solar cell devices.

  6. Polymer-ZnO nanocomposites foils and thin films for UV protection

    SciTech Connect (OSTI)

    Shanshool, Haider Mohammed; Yahaya, Muhammad; Abdullah, Ibtisam Yahya [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor (Malaysia); Yunus, Wan Mahmood Mat [Department of Physics, Faculty of Science, University Putra Malaysia, 43400 UPM, Serdang (Malaysia)

    2014-09-03

    The damage of UV radiation on human eye and skin is extensively studied. In the present work, the nanocomposites foils and thin films have been prepared by using casting method and spin coating, respectively. Nanocomposites were prepared by mixing ZnO nanoparticles with Polymethyl methacrylate (PMMA) and Polyvinylidene fluoride (PVDF) as polymer matrix. Different contents of ZnO nanoparticles were used as filler in the nanocomposites. UV-Vis spectra showed very low transmittance in UV region that decreases with increase content of ZnO. PVDF/ZnO samples showed the lowest transmittance. The rough surface of PVDF was observed from SEM image. While a homogeneous dispersion of ZnO nanoparticles in PMMA were indicated by FESEM images.

  7. Defect-free ZnO nanorods for low temperature hydrogen sensor applications

    SciTech Connect (OSTI)

    Ranwa, Sapana; Kumar, Mahesh; Kulriya, Pawan K.; Sahu, Vikas Kumar; Kukreja, L. M.

    2014-11-24

    Uniformly distributed and defect-free vertically aligned ZnO nanorods (NRs) with high aspect ratio are deposited on Si by sputtering technique. X-ray diffraction along with transmission electron microscopy studies confirmed the single crystalline wurtzite structure of ZnO. Absence of wide band emission in photoluminescence spectra showed defect-free growth of ZnO NRs which was further conformed by diamagnetic behavior of the NRs. H{sub 2} sensing mechanism based on the change in physical dimension of channel is proposed to explain the fast response (?21.6?s) and recovery times (?27?s) of ZnO NRs/Si/ZnO NRs sensors. Proposed H{sub 2} sensor operates at low temperature (?70?C) unlike the existing high temperature (>150?C) sensors.

  8. Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4](-) (X = F, CI, Br, I, At, Uus)

    SciTech Connect (OSTI)

    Li, Wan-Lu; Li, Yong; Xu, Congqiao; Wang, Xue B.; Vorpagel, Erich R.; Li, Jun

    2015-12-07

    Systematic theoretical and experimental investigations have been performed to understand the periodicity and electronic structures of trivalent-gold halides using gold tetrahalides [AuX4]⁻ anions (X = F, Cl, Br, I, At, Uus). The [AuX4]⁻ (X = Cl, Br, I) anions were produced in gas phase and their negative-ion photoelectron spectra were obtained, which exhibited rich and well-resolved spectral peaks. We calculated the adiabatic as well as vertical electron detachment energies using density functional methods with scalar and spin-orbit coupling relativistic effects. The simulated photoelectron spectra based on these calculations are in good agreement with the experimental spectra. Our results show that the trivalent Au(III) oxidation state becomes progressively less stable while Au(I) is preferred when the halides become heavier along the Period Table. This trend reveals that the oxidation state of metals in complexes can be manipulated through ligand design

  9. Au impact on GaAs epitaxial growth on GaAs (111){sub B} substrates in molecular beam epitaxy

    SciTech Connect (OSTI)

    Liao, Zhi-Ming; Chen, Zhi-Gang; Xu, Hong-Yi; Guo, Ya-Nan; Sun, Wen; Zhang, Zhi; Yang, Lei; Lu, Zhen-Yu; Chen, Ping-Ping; Lu, Wei; Zou, Jin; Centre for Microscopy and Microanalysis, The University of Queensland, St. Lucia, Queensland 4072

    2013-02-11

    GaAs growth behaviour under the presence of Au nanoparticles on GaAs {l_brace}111{r_brace}{sub B} substrate is investigated using electron microscopy. It has been found that, during annealing, enhanced Ga surface diffusion towards Au nanoparticles leads to the GaAs epitaxial growth into {l_brace}113{r_brace}{sub B} faceted triangular pyramids under Au nanoparticles, governed by the thermodynamic growth, while during conventional GaAs growth, growth kinetics dominates, resulting in the flatted triangular pyramids at high temperature and the epitaxial nanowires growth at relatively low temperature. This study provides an insight of Au nanoparticle impact on GaAs growth, which is critical for understanding the formation mechanisms of semiconductor nanowires.

  10. LOCAL INTERSTELLAR HYDROGEN'S DISAPPEARANCE AT 1 AU: FOUR YEARS OF IBEX IN THE RISING SOLAR CYCLE

    SciTech Connect (OSTI)

    Saul, Lukas; Rodriguez, Diego; Scheer, Juergen; Wurz, Peter; Bzowski, Maciej; Kubiak, Marzena; Sokol, Justina; Fuselier, Stephen; McComas, Dave; Moebius, Eberhard

    2013-04-20

    NASA's Interstellar Boundary Explorer (IBEX) mission has recently opened a new window on the interstellar medium (ISM) by imaging neutral atoms. One ''bright'' feature in the sky is the interstellar wind flowing into the solar system. Composed of remnants of stellar explosions as well as primordial gas and plasma, the ISM is by no means uniform. The interaction of the local ISM with the solar wind shapes our heliospheric environment with hydrogen being the dominant component of the very local ISM. In this paper, we report on direct sampling of the neutral hydrogen of the local ISM over four years of IBEX observations. The hydrogen wind observed at 1 AU has decreased and nearly disappeared as the solar activity has increased over the last four years; the signal at 1 AU has dropped off in 2012 by a factor of {approx}8 to near background levels. The longitudinal offset has also increased with time presumably due to greater radiation pressure deflecting the interstellar wind. We present longitudinal and latitudinal arrival direction measurements of the bulk flow as measured over four years beginning at near solar minimum conditions. The H distribution we observe at 1 AU is expected to be different from that outside the heliopause due to ionization, photon pressure, gravity, and filtration by interactions with heliospheric plasma populations. These observations provide an important benchmark for modeling of the global heliospheric interaction. Based on these observations we suggest a further course of scientific action to observe neutral hydrogen over a full solar cycle with IBEX.

  11. In situ Formation of Highly Conducting Covalent Au-C Contacts for Single-Molecule Junctions

    SciTech Connect (OSTI)

    Cheng, Z.L.; Hybertsen, M.; Skouta, R.; Vazquez, H.; Widawsky, J.R.; Schneebeli, S.; Chen, W.; Breslow, R.; Venkataraman, L.

    2011-06-01

    Charge transport across metal-molecule interfaces has an important role in organic electronics. Typically, chemical link groups such as thiols or amines are used to bind organic molecules to metal electrodes in single-molecule circuits, with these groups controlling both the physical structure and the electronic coupling at the interface. Direct metal-carbon coupling has been shown through C60, benzene and {pi}-stacked benzene but ideally the carbon backbone of the molecule should be covalently bonded to the electrode without intervening link groups. Here, we demonstrate a method to create junctions with such contacts. Trimethyl tin (SnMe{sub 3})-terminated polymethylene chains are used to form single-molecule junctions with a break-junction technique. Gold atoms at the electrode displace the SnMe{sub 3} linkers, leading to the formation of direct Au-C bonded single-molecule junctions with a conductance that is {approx}100 times larger than analogous alkanes with most other terminations. The conductance of these Au-C bonded alkanes decreases exponentially with molecular length, with a decay constant of 0.97 per methylene, consistent with a non-resonant transport mechanism. Control experiments and ab initio calculations show that high conductances are achieved because a covalent Au-C sigma ({sigma}) bond is formed. This offers a new method for making reproducible and highly conducting metal-organic contacts.

  12. Purification of CdZnTe by Electromigration

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kim, K.; Kim, Sangsu; Hong, Jinki; Lee, Jinseo; Hong, Taekwon; Bolotnikov, A. E.; Camarda, G. S.; James, R. B.

    2015-04-14

    Electro-migration of ionized/electrically active impurities in CdZnTe (CZT) was successfully demonstrated at elevated temperature with an electric field of 20 V/mm. Copper, which exists in positively charged states, electro-migrated at a speed of 15 lm/h in an electric field of 20 V/mm. A notable variation in impurity concentration along the growth direction with the segregation tendency of the impurities was observed in an electro-migrated CZT boule. Notably, both Ga and Fe, which exist in positively charged states, exhibited the opposite distribution to that of their segregation tendency in Cd(Zn)Te. Furthermore, a CZT detector fabricated from the middle portion of themore » electromigrated CZT boule showed an improved mobility-lifetime product of 0.91 10-2 cm2 /V, compared to that of 1.4 10-3 cm2 /V, observed in an as-grown (non-electro-migrated) CZT detector. The optimum radiation detector material would have minimum concentration of deep traps required for compensation.« less

  13. Structural Changes in Self-Catalyzed Adsorption of Carbon Monoxide on 1,4-Phenylene Diisocyanide Modified Au(111)

    SciTech Connect (OSTI)

    Kestell, John; Boscoboinik, J. Anibal; Cheng, Lanxia; Garvey, Michael; Bennett, Dennis W.; Tysoe, Wilfred T.

    2015-07-23

    The self-accelerated adsorption of CO on 1,4-phenylene diisocyanide (PDI)-derived oligomers on Au(111) is explored by reflectionabsorption infrared spectroscopy and scanning tunneling microscopy. PDI incorporates gold adatoms from the Au(111) surface to form one-dimensional (AuPDI)n chains that can also connect between gold nanoparticles on mica to form a conductive pathway between them. CO adsorption occurs in two stages; it first adsorbs adjacent to the oligomers that move to optimize CO adsorption. Further CO exposure induces PDI decoordination to form AuPDI adatom complexes thereby causing the conductivity of a PDI-linked gold nanoparticle array on mica to decrease to act as a chemically drive molecular switch. This simple system enables the adsorption process to be explored in detail. DFT calculations reveal that both the (AuPDI)n oligomer chain and the AuPDI adatom complex are stabilized by coadsorbed CO. A kinetic foot-in-the-door model is proposed in which fluctuations in PDI coordination allow CO to diffuse into the gap between gold adatoms to prevent the PDI from reattaching, thereby allowing additional CO to adsorb, to provide kinetic model for allosteric CO adsorption on PDI-covered gold.

  14. Exchange bias effect in Au-Fe3O4 dumbbell nanoparticles induced by the charge transfer from gold

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Feygenson, Mikhail; Bauer, John C; Gai, Zheng; Marques, Carlos; Aronson, Meigan C.; Teng, Xiaowei; Su, Dong; Stanic, Vesna; Urban, Volker S; Kevin, Beyer; et al

    2015-08-10

    We have studied the origin of the exchange bias effect in the Au-Fe3O4 dumbbell nanoparticles in two samples with different sizes of the Au seed nanoparticles (4.1 and 2.7 nm) and same size of Fe3O4 nanoparticles (9.8 nm). The magnetization, small-angle neutron scattering, synchrotron x-ray diffraction and scanning transmission electron microscope measurements determined the antiferromagnetic FeO wüstite phase within Fe3O4 nanoparticles, originating at the interface with the Au nanoparticles. The interface between antiferromagnetic FeO and ferrimagnetic Fe3O4 is giving rise to the exchange bias effect. The strength of the exchange bias fields depends on the interfacial area and lattice mismatchmore » between both phases. We propose that the charge transfer from the Au nanoparticles is responsible for a partial reduction of the Fe3O4 into FeO phase at the interface with Au nanoparticles. The Au-O bonds are formed across the interface to accommodate an excess of oxygen released during the reduction of magnetite.« less

  15. Plasmonic excitations in ZnO/Ag/ZnO multilayer systems: Insight into interface and bulk electronic properties

    SciTech Connect (OSTI)

    Philipp, Martin; Knupfer, Martin; Buechner, Bernd; Gerardin, Hadia

    2011-03-15

    Electron energy-loss spectroscopy experiments in transmission were carried out on silver-based multi-layer systems, consisting of a silver layer of various thicknesses (8, 10 and 50 nm) sandwiched between two Al-doped ZnO layers. The films were produced by magnetron sputtering using potassium bromide single crystals as substrates. The electronic structure of these systems was probed and analyzed with respect to their plasmonic excitations, which can be basically split up into excitations of the electrons in the bulk silver and excitations at the ZnO:Al/Ag interface. A detailed examination of the momentum dependence of the plasmon peaks revealed a positive dispersion for both, the volume and the interface plasmon, where only for the first one a quadratic behavior (as expected for a free electron gas) could be observed. Furthermore, the peak width was analyzed and set into relation to electrical conductivity measurements by calculating the plasmon lifetime and the electron scattering rate. Here, a good agreement between these different methods was obtained.

  16. Structure, stability, and electronic property of carbon-doped gold clusters Au{sub n}C{sup ?} (n = 110): A density functional theory study

    SciTech Connect (OSTI)

    Yan, Li-Li; Liu, Yi-Rong; Huang, Teng; Jiang, Shuai; Wen, Hui; Gai, Yan-Bo; Zhang, Wei-Jun E-mail: wjzhang@aiofm.ac.cn; Huang, Wei E-mail: wjzhang@aiofm.ac.cn; School of Environmental Science and Optoelectronic Technology, University of Science and Technology of China, Hefei, Anhui 230026

    2013-12-28

    The equilibrium geometric structures, relative stabilities, and electronic properties of Au{sub n}C{sup ?} and Au{sub n+1}{sup ?} (n = 110) clusters are systematically investigated using density functional theory with hyper-generalized gradient approximation. The optimized geometries show that one Au atom capped on Au{sub n?1}C{sup ?} clusters is a dominant growth pattern for Au{sub n}C{sup ?} clusters. In contrast to Au{sub n+1}{sup ?} clusters, Au{sub n}C{sup ?} clusters are most stable in a quasi-planar or three-dimensional structure because C doping induces the local non-planarity while the rest of the structure continues to grow in a planar mode, resulting in an overall non-2D configuration. The relative stability calculations show that the impurity C atom can significantly enhance the thermodynamic stability of pure gold clusters. Moreover, the effect of C atom on the Au{sub n}{sup ?} host decreases with the increase of cluster size. The HOMO-LUMO gap curves show that the interaction of the C atom with Au{sub n}{sup ?} clusters improves the chemical stability of pure gold clusters, except for Au{sub 3}{sup ?} and Au{sub 4}{sup ?} clusters. In addition, a natural population analysis shows that the charges in corresponding Au{sub n}C{sup ?} clusters transfer from the Au{sub n}{sup ?} host to the C atom. Meanwhile, a natural electronic configuration analysis also shows that the charges mainly transfer between the 2s and 2p orbitals within the C atom.

  17. THE INNER COMA OF COMET C/2012 S1 (ISON) AT 0.53 AU AND 0.35 AU FROM THE SUN

    SciTech Connect (OSTI)

    Bonev, Boncho P.; Villanueva, Geronimo L.; Paganini, Lucas; DiSanti, Michal A.; Gibb, Erika L.; Mumma, Michael J.

    2014-11-20

    Using long-slit spectroscopy at the NASA Infrared Telescope Facility, we extracted H{sub 2}O production rates and spatial profiles of gas rotational temperature and molecular column abundance in comet C/2012 S1 ISON, observed at heliocentric distances of 0.53 and 0.35AU. These measurements uniquely probed the physical environment in the inner collisional coma of this comet during its first (and last) approach to the Sun since being emplaced in the Oort Cloud some 4.5 billion years ago. Our observations revealed a comet evolving on various timescales, both over hours and days. At 0.35AU, ISON showed a considerable decrease in water production rate in less than 2hr, likely declining from a major outburst. Our measured temperature spatial distributions reflect the competition between the processes that cause heating and cooling in the coma, and also provide insight about the prevalent mechanism(s) of releasing gas-phase H{sub 2}O. The observed temperatures suggest that the comet was likely ejecting icy material continuously, which sublimated in the coma and heated the ambient gas, augmenting fast H-atoms produced by H{sub 2}O photolysis. ISON adds to the very limited sample of comets for which spatial-spectral studies of water temperatures have been conducted. These studies are now feasible and can be extended to comets having a variety of gas production rates. Continued synergy of such observations with both space missions like Rosetta and with physical models is strongly encouraged in order to gain a deeper understanding of the processes in the inner collisional zone of the cometary coma.

  18. Low temperature atomic layer deposited ZnO photo thin film transistors

    SciTech Connect (OSTI)

    Oruc, Feyza B.; Aygun, Levent E.; Donmez, Inci; Biyikli, Necmi; Okyay, Ali K.; Yu, Hyun Yong

    2015-01-01

    ZnO thin film transistors (TFTs) are fabricated on Si substrates using atomic layer deposition technique. The growth temperature of ZnO channel layers are selected as 80, 100, 120, 130, and 250?C. Material characteristics of ZnO films are examined using x-ray photoelectron spectroscopy and x-ray diffraction methods. Stoichiometry analyses showed that the amount of both oxygen vacancies and interstitial zinc decrease with decreasing growth temperature. Electrical characteristics improve with decreasing growth temperature. Best results are obtained with ZnO channels deposited at 80?C; I{sub on}/I{sub off} ratio is extracted as 7.8 10{sup 9} and subthreshold slope is extracted as 0.116 V/dec. Flexible ZnO TFT devices are also fabricated using films grown at 80?C. I{sub D}V{sub GS} characterization results showed that devices fabricated on different substrates (Si and polyethylene terephthalate) show similar electrical characteristics. Sub-bandgap photo sensing properties of ZnO based TFTs are investigated; it is shown that visible light absorption of ZnO based TFTs can be actively controlled by external gate bias.

  19. Photoelectrochemical Stability and Alteration Products of n-Type Single-Crystal ZnO Photoanodes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Paulauskas, I. E.; Jellison, G. E.; Boatner, L. A.; Brown, G. M.

    2011-01-01

    The photoelectrochemical stability and surface-alteration characteristics of doped and undoped n-type ZnO single-crystal photoanode electrodes were investigated. The single-crystal ZnO photoanode properties were analyzed using current-voltage measurements plus spectral and time-dependent quantum-yield methods. These measurements revealed a distinct anodic peak and an accompanying cathodic surface degradation process at negative potentials. The features of this peak depended on time and the NaOH concentration in the electrolyte, but were independent of the presence of electrode illumination. Current measurements performed at the peak indicate that charging and discharging effects are apparently taking place at the semiconductor/electrolyte interface. This result is consistent with themore » significant reactive degradation that takes place on the ZnO single crystal photoanode surface and that ultimately leads to the reduction of the ZnO surface to Zn metal. The resulting Zn-metal reaction products create unusual, dendrite-like, surface alteration structural features that were analyzed using x-ray diffraction, energy-dispersive analysis, and scanning electron microscopy. ZnO doping methods were found to be effective in increasing the n-type character of the crystals. Higher doping levels result in smaller depletion widths and lower quantum yields, since the minority carrier diffusion lengths are very short in these materials.« less

  20. Ethanol Steam Reforming on Co/CeO2: The Effect of ZnO Promoter

    SciTech Connect (OSTI)

    Davidson, Stephen; Sun, Junming; Wang, Yong

    2013-12-02

    A series of ZnO promoted Co/CeO2 catalysts were synthesized and characterized using XRD, TEM, H2-TPR, CO chemisorption, O2-TPO, IR-Py, and CO2-TPD. The effects of ZnO on the catalytic performances of Co/CeO2 were studied in ethanol steam reforming. It was found that the addition of ZnO facilitated the oxidation of Co0 via enhanced oxygen mobility of the CeO2 support which decreased the activity of Co/CeO2 in CC bond cleavage of ethanol. 3 wt% ZnO promoted Co/CeO2 exhibited minimum CO and CH4 selectivity and maximum CO2 selectivity. This resulted from the combined effects of the following factors with increasing ZnO loading: (1) enhanced oxygen mobility of CeO2 facilitated the oxidation of CHx and CO to form CO2; (2) increased ZnO coverage on CeO2 surface reduced the interaction between CHx/CO and Co/CeO2; and (3) suppressed CO adsorption on Co0 reduced CO oxidation rate to form CO2. In addition, the addition of ZnO also modified the surface acidity and basicity of CeO2, which consequently affected the C2C4 product distributions.

  1. Modifying structure-sensitive reactions by addition of Zn to Pd

    SciTech Connect (OSTI)

    Childers, David J.; Schweitzer, Neil M.; Kamali Shahari, Seyed Mehdi; Rioux, Robert M.; Miller, Jeffrey T.; Meyer, Randall J.

    2014-10-01

    Silica-supported Pd and PdZn nanoparticles of a similar size were evaluated for neopentane hydrogenolysis/isomerization and propane hydrogenolysis/dehydrogenation. Monometallic Pd showed high neopentane hydrogenolysis selectivity. Addition of small amounts of Zn to Pd lead PdZn scatters in the EXAFS spectrum and an increase in the linear bonded CO by IR. In addition, the neopentane turnover rate decreased by nearly 10 times with little change in the selectivity. Increasing amounts of Zn lead to greater PdZn interactions, higher linear-to-bridging CO ratios by IR and complete loss of neopentane conversion. Pd NPs also had high selectivity for propane hydrogenolysis and thus were poorly selective for propylene. The PdZn bimetallic catalysts, however, were able to preferentially catalyze dehydrogenation, were not active for propane hydrogenolysis, and thus were highly selective for propylene formation. The decrease in hydrogenolysis selectivity was attributed to the isolation of active Pd atoms by inactive metallic Zn,demonstrating that hydrogenolysis requires a particular reactive ensemble whereas propane dehydrogenation does not.

  2. Characterization of one-dimensional molecular chains of 4,4'-biphenyl diisocyanide on Au(111) by scanning tunneling microscopy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhou, Jing; Li, Yan; Zahl, Percy; Sutter, Peter; Stacchiola, Dario J.; White, Michael G.

    2015-03-14

    The morphology and electronic structure of vapor deposited 4,4'-biphenyldiisocyanide (BPDI) on a Au(111) surface were investigated using variable-temperature scanning tunneling microscopy (STM). When deposited at room temperature, BPDI molecules form one-dimensional molecular chains similar to that recently observed for the structurally related 1,4-phenyl diisocyanide (PDI). Compared to PDI, the longer periodicity for the BPDI molecular chains is consistent with the addition of a second phenyl ring and supports a structural model in which the BPDI molecules lie parallel to the surface and interconnected by Au-adatoms. The molecular chains are mostly aligned along the [110] direction of the Au(111) substrate, butmore » exhibit frequent changes in angle that are consistent with directions between fcc and hcp three-fold hollow sites. Dispersion-corrected density functional theory calculations for one-dimensional chains of BPDI molecules bound end-to-end via their isocyanide groups to Au-adatoms reproduce the observed periodicity of the chains and show that this morphology is energetically favored over upright binding with one free –NC group. The spatially resolved conductance (dI/dV) map for BPDI on Au(111) exhibits a feature centered at -0.67 eV below the Fermi level which are delocalized along the chain with maxima at the Au-adatom and biphenyl positions. This occupied resonant feature is close to that previously observed for the PDI in both photoemission and conductance measurements and is attributed to an occupied interfacial state resulting from BPDI-Au interactions« less

  3. Magnetism of Co doped ZnO with Al codoping: carrier induced mechanisms versus extrinsic origins

    SciTech Connect (OSTI)

    Ney, A.; Ney, V.; Ye, S.; Ollefs, K.; Kammermeier, T.; Kaspar, Tiffany C.; Chambers, Scott A.; Wilhelm, F.; Rogalev, A.

    2010-07-23

    Dilute magnetic semiconductors (DMS) which exhibit ferromagnetism (FM) at and above room temperature are a highly desirable class of materials for future spin- tronics devices. Zn1?xCoxO (Co:ZnO) is a heavily studied DMS material in this context. Although controversially discussed in the literature, there is a growing con- sensus, that phase-pure Co:ZnO is paramagnetic (PM)[13]. Altering the preparation conditions can easily lead to phase separation and consequently superparam- agnetism (SPM) [3]. Nonetheless there are recent experimental data claiming that FM can be switched on inCo:ZnO by controlling the carrier concentration [4]. On the other hand, no FM was found in structurally excellent Al-codoped Co:ZnO [5]. However, in the latter work the magnetic characterization was restricted to room temperature measurements. In parallel, theory has also revealed that defect-free, insulating Co:ZnO is not ferromagnetic [6, 7] whereas the role of n-type carriers remains under debate, ranging from ferromagnetic coupling [8], or oscil- latory behavior with Co-Co distance [9] to antiferromagnetic coupling [10]. It is rather common to manipulate the n-type carrier concentration of ZnO by Al-doping to yield high conductivity [4, 11]. On the other hand, it had been shown that Al-codoping of Co:ZnO may promote the onset of phase separation [11]. It is extremely difficult to detect such secondary Co-containing phases even with the most careful x-ray diffraction (XRD) analysis [11, 12] or depth-profiling photoelectron spectroscopy (DP-XPS) [13]. Such careful materials characterization is lacking in Ref. [4]. An alternative to extensive XRD or DP-XPS to look for potential phase separation in Co:ZnO is the combination of x-ray absorption near edge spectra (XANES), x-ray linear dichroism (XLD), and x-ray magnetic circular dichroism (XMCD). This suite of atom-specific x-ray spectroscopies nicely complements integral superconducting quantum interference device (SQUID) magnetometry. For example, combined XLD simulations and experiments at the Co K-edge have been used to verify the phase purity of Co:ZnO [2] and characteristic spectroscopic signatures with appropriate quality thresholds for PM and SPM have been identified recently in the XANES and XMCD at the Co K-edge of Co:ZnO [3]. Along the same line, a careful combination of XANES and extended x-ray absorption fine structure (EXAFS) was employed to study Co:ZnO films similar to those in [4] which found evidence for Co(0) secondary phases [14].

  4. ZnO/porous-Si and TiO{sub 2}/porous-Si nanocomposite nanopillars

    SciTech Connect (OSTI)

    Wang, Dong, E-mail: dong.wang@tu-ilmenau.de; Yan, Yong; Schaaf, Peter [Chair Materials for Electronics, Institute of Materials Engineering and Institute of Micro- and Nanotechnologies MacroNano, TU Ilmenau, Gustav-Kirchhoff-Str. 5, 98693 Ilmenau (Germany); Sharp, Thomas [Oxford Instruments Plasma Technology Ltd., Yatton, Bristol BS49 4AP (United Kingdom); Schnherr, Sven; Ronning, Carsten [Institute for Solid State Physics, Friedrich Schiller University Jena, Max-Wien-Platz 1, 07743 Jena (Germany); Ji, Ran [SUSS MicroTec Lithography GmbH, Schleissheimer Str. 90, 85748 Garching (Germany)

    2015-01-01

    Porous Si nanopillar arrays are used as templates for atomic layer deposition of ZnO and TiO{sub 2}, and thus, ZnO/porous-Si and TiO{sub 2}/porous-Si nanocomposite nanopillars are fabricated. The diffusion of the precursor molecules into the inside of the porous structure occurs via Knudsen diffusion and is strongly limited by the small pore size. The luminescence of the ZnO/porous-Si nanocomposite nanopillars is also investigated, and the optical emission can be changed and even quenched after a strong plasma treatment. Such nanocomposite nanopillars are interesting for photocatalysis and sensors.

  5. Yb-Zn-Al ternary system: CaCu{sub 5}-type derived compounds in the

    Office of Scientific and Technical Information (OSTI)

    zinc-rich corner (Journal Article) | SciTech Connect Yb-Zn-Al ternary system: CaCu{sub 5}-type derived compounds in the zinc-rich corner Citation Details In-Document Search Title: Yb-Zn-Al ternary system: CaCu{sub 5}-type derived compounds in the zinc-rich corner As part of a study of the Yb-Zn-Al system, this first article reports the synthesis and crystal structure of four compounds. The crystal structures were determined by single crystal diffractometer data for three of them: Yb{sub

  6. H2S removal with ZnO during fuel processing for PEM fuel cell applications

    SciTech Connect (OSTI)

    Li, Liyu; King, David L.

    2006-09-15

    The possibility of using ZnO as a H2S absorbent to protect catalysts in the gasoline and diesel fuel processor for PEM fuel cell applications was studied. It is possible to use commercial ZnO absorbent as a guard bed to protect the PROX catalyst and PEM fuel cell. However, it is not feasible to use ZnO to protect high and low temperature WGS catalysts, most likely due to COS formation via reactions CO + H2S = COS + H2 and CO2 + H2S = COS + H2O.

  7. Synthesis and characterization of ZnO nanostructured film for optoelectronic applications

    SciTech Connect (OSTI)

    Kumar, Vijay E-mail: sanjeev04101977@gmail.com; Singh, Harpreetpal

    2015-05-15

    ZnO nanostructured film is synthesized by solution combustion technique. X-ray diffraction (XRD) studies show that preferred orientation is along (101) confirming the hexagonal wurtzite phase and no secondary phase is observed. The rietveld refinement of the XRD data was used to calculate different lattice parameters. I-V characterization of ZnO film shows non linear behavior. These ZnO films are photosensitive, may be due to defect states. This property of these films can be utilized in optoelectronic applications.

  8. Structural studies and band gap tuning of Cr doped ZnO nanoparticles

    SciTech Connect (OSTI)

    Srinet, Gunjan Kumar, Ravindra Sajal, Vivek

    2014-04-24

    Structural and optical properties of Cr doped ZnO nanoparticles prepared by the thermal decomposition method are presented. X-ray diffraction studies confirmed the substitution of Cr on Zn sites without changing the wurtzite structure of ZnO. Modified form of W-H equations was used to calculate various physical parameters and their variation with Cr doping is discussed. Significant red shift was observed in band gap, i.e., a band gap tuning is achieved by Cr doping which could eventually be useful for optoelectronic applications.

  9. Ni, Fe Co-doped ZnO nanoparticles synthesized by solution combustion method

    SciTech Connect (OSTI)

    Dhiman, Pooja Chand, Jagdish Verma, S. Sarveena, Singh, M.

    2014-04-24

    This paper outlines the synthesis and characterization of Ni-Fe co-doped ZnO nanoparticles by facile solution combustion method. The structural characterization by XRD confirmed the phase purity of the samples. Surface morphology studied by scanning electron microscope revealed cubic type shape of grains. EDS analysis conformed the elemental composition. Higher value of DC electrical conductivity and less band gap for co-doped ZnO from UV-Vis studies confirmed the change in defect chemistry of ZnO Matrix.

  10. Phosphorescence quenching by mechanical stimulus in CaZnOS:Cu

    SciTech Connect (OSTI)

    Tu, Dong; Kamimura, Sunao; Xu, Chao-Nan; Fujio, Yuki; Sakata, Yoshitaro; Ueno, Naohiro

    2014-07-07

    We have found that phosphorescence intensity of CaZnOS:Cu decreased visibly under an applied load. This mechanical quenching (MQ) of phosphorescence in CaZnOS:Cu corresponded to the mechanical stimuli. We have thus demonstrated that the MQ of CaZnOS:Cu could be used for visualizing stress distributions in practical applications. We propose that MQ arises from non-radiative recombination due to electron-transfer from trap levels to non-radiative centers as a result of the mechanical load.

  11. Top-emission Si-based phosphor organic light emitting diode with Au doped ultrathin n-Si film anode and bottom Al mirror

    SciTech Connect (OSTI)

    Li, Y. Z.; Xu, W. J.; Ran, G. Z. [State Key Laboratory for Mesoscopic Physics, School of Physics, Peking University, Beijing 100871 (China); Qin, G. G. [State Key Laboratory for Mesoscopic Physics, School of Physics, Peking University, Beijing 100871 (China); Key Lab of Semiconductor Materials, CAS, Beijing 100083 (China)

    2009-07-20

    We report a highly efficient top-emission Si-based phosphor organic light emitting diode (PhOLED) with an ultrathin polycrystalline n-Si:Au film anode and a bottom Al mirror. This anode is formed by magnetron sputtering followed by Ni induced crystallization and then Au diffusion. By optimizing the thickness of the n-Si:Au film anode, the Au diffusion temperature, and the other parameters of the PhOLED, the highest current and power efficiencies of the n-Si:Au film anode PhOLED reached 85{+-}9 cd/A and 80{+-}8 lm/W, respectively, corresponding to an external quantum efficiency of 21{+-}2% and a power conversion efficiency of 15{+-}2%, respectively, which are about 60% and 110% higher than those of the indium tin oxide anode counterpart and 70% and 50% higher than those of the bulk n{sup +}-Si:Au anode counterpart, respectively.

  12. X-ray absorption studies of mixed salt polymer electrolytes: ZnBr{sub 2}/CaBr{sub 2}-PEO, ZnBr{sub 2}/LiBr-PEO, and ZnBr{sub 2}/RbBr-PEO complexes

    SciTech Connect (OSTI)

    McBreen, J.; Yang, X.Q.; Lee, H.S.; Okamoto, Y.

    1995-02-01

    Polyethylene oxide (PEO)-salt systems are an important new class of electrolytes that are being considered for many uses. X-ray absorption (XAS) studies of ZnBr{sub 2}-PEO complexes, at the Zn K edge, at temperatures between 25 and 120 C, indicate that additions of bromide salts of Li, Rb, or Ca result in the formation of ZnBr{sub 4}{sup {minus} 2} complexes with a Zn-Br bond length of 2.42 {angstrom}. XAS, at the Rb K edge, in mixed RbBr/ZnBr{sub 2}-PEO complexes with an excess of ZnBr{sub 2}, shows that the ZnBr{sub 2} causes the RbBr to dissolve in the polymer. The Rb{sup +} ions are weakly complexed with the PEO with an Rb-O bond distance of 2.93 {angstrom}.

  13. Coulomb Excitation of Neutron-Rich Zn Isotopes: First Observation of the 2{sub 1}{sup +} State in {sup 80}Zn

    SciTech Connect (OSTI)

    Van de Walle, J.; Cocolios, T. E.; Huyse, M.; Ivanov, O.; Mayet, P.; Raabe, R.; Sawicka, M.; Stefanescu, I.; Duppen, P. van; Aksouh, F.; Behrens, T.; Gernhauser, R.; Kroell, T.; Kruecken, R.; Bildstein, V.; Blazhev, A.; Eberth, J.

    2007-10-05

    Neutron-rich, radioactive Zn isotopes were investigated at the Radioactive Ion Beam facility REX-ISOLDE (CERN) using low-energy Coulomb excitation. The energy of the 2{sub 1}{sup +} state in {sup 78}Zn could be firmly established and for the first time the 2{sup +}{yields}0{sub 1}{sup +} transition in {sup 80}Zn was observed at 1492(1) keV. B(E2,2{sub 1}{sup +}{yields}0{sub 1}{sup +}) values were extracted for {sup 74,76,78,80}Zn and compared to large scale shell model calculations. With only two protons outside the Z=28 proton core, {sup 80}Zn is the lightest N=50 isotone for which spectroscopic information has been obtained to date. Two sets of advanced shell model calculations reproduce the observed B(E2) systematics. The results for N=50 isotones indicate a good N=50 shell closure and a strong Z=28 proton core polarization. The new results serve as benchmarks to establish theoretical models, predicting the nuclear properties of the doubly magic nucleus {sup 78}Ni.

  14. EXPLORING INTERMEDIATE (5-40 AU) SCALES AROUND AB AURIGAE WITH THE PALOMAR FIBER NULLER

    SciTech Connect (OSTI)

    Khn, J.; Mennesson, B.; Liewer, K.; Martin, S.; Loya, F.; Serabyn, E.; Millan-gabet, R.

    2015-02-10

    We report on recent K{sub s} -band interferometric observations of the young pre-main-sequence star AB Aurigae obtained with the Palomar Fiber Nuller (PFN). Reaching a contrast of a few 10{sup 4} inside a field of view extending from 35 to 275 mas (5-40 AU at AB Aur's distance), the PFN is able to explore angular scales that are intermediate between those accessed by coronagraphic imaging and long baseline interferometry. This intermediate region is of special interest given that many young stellar objects are believed to harbor extended halos at such angular scales. Using destructive interference (nulling) between two sub-apertures of the Palomar 200 inch telescope and rotating the telescope pupil, we measured a resolved circumstellar excess at all probed azimuth angles. The astrophysical null measured over the full rotation is fairly constant, with a mean value of 1.52%, and a slight additional azimuthal modulation of 0.2%. The isotropic astrophysical null is indicative of circumstellar emission dominated by an azimuthally extended source, possibly a halo, or one or more rings of dust, accounting for several percent of the total K{sub s}-band flux. The modest azimuthal variation may be explained by some skewness or anisotropy of the spatially extended source, e.g., an elliptical or spiral geometry, or clumping, but it could also be due to the presence of a point source located at a separation of ?120 mas (17 AU) with ?6 10{sup 3} of the stellar flux. We combine our results with previous Infrared Optical Telescope Array observations of AB Aur at H band, and demonstrate that a dust ring located at ?30 mas (4.3 AU) represents the best-fitting model to explain both sets of visibilities. We are also able to test a few previously hypothesized models of the incoherent component evident at longer interferometric baselines.

  15. The Correlation of Stress-State and Nano-Mechanical Properties in Au

    SciTech Connect (OSTI)

    HOUSTON,JACK E.; JARAUSCH,K.F.; KIELY,J.D.; RUSSELL,P.E.

    1999-10-07

    A dependence of elastic response on the stress-state of a thin film has been demonstrated using the interfacial force microscope (IFM). Indentation response was measured as a function of the applied biaxial stress-state for 100 nm thick Au films. An increase in measured elastic modulus with applied compressive stress, and a decrease with applied tensile stress was observed. Measurements of elastic modulus before and after applying stress were identical indicating that the observed change in response is not due to a permanent change in film properties.

  16. Tailoring characteristic thermal stability of Ni-Au binary nanocrystals via structure and composition engineering: theoretical insights into structural evolution and atomic inter-diffusion

    SciTech Connect (OSTI)

    Li, Bangquan; Wang, Hailong; Xing, Guozhong; Wang, Rongming E-mail: rmwang@ustb.edu.cn

    2014-11-15

    We report on the structural evolution and atomic inter-diffusion characteristics of the bimetallic Ni-Au nanocrystals (NCs) by molecular dynamics simulations studies. Our results reveal that the thermal stability dynamics of Ni-Au NCs strongly depends on the atomic configurations. By engineering the structural construction with Ni:Au = 1:1 atomic composition, compared with core-shell Au@Ni and alloy NCs, the melting point of core-shell Ni@Au NCs is significantly enhanced up to 1215 K. Unexpectedly, with atomic ratio of Au:Ni= 1:9, the melting process initiates from the atoms in the shell of Ni@Au and alloy NCs, while starts from the core of Au@Ni NCs. The corresponding features and evolution process of structural motifs, mixing and segregation are illustrated via a series of dynamic simulations videos. Moreover, our results revealed that the face centered cubic phase Au{sub 0.75}Ni{sub 0.25} favorably stabilizes in NCs form but does not exist in the bulk counterpart, which elucidates the anomalies of previously reported experimental results on such bimetallic NCs.

  17. Angular distribution and recoil effect for 1 MeV Au+ ions through a Si3N4 thin foil

    SciTech Connect (OSTI)

    Jin, Ke; Zhu, Zihua; Manandhar, Sandeep; Liu, Jia; Chen, Chien-Hung; Shutthanandan, Vaithiyalingam; Thevuthasan, Suntharampillai; Weber, William J; Zhang, Yanwen

    2014-01-01

    The Stopping and Range of Ions in Matter (SRIM) code has been widely used to predict nuclear stopping power and angular distribution of ion-solid collisions. However, experimental validation of the predictions is insufficient for slow heavy ions in nonmetallic compounds. In this work, time-of-flight secondary ion mass spectrometry (ToF-SIMS) is applied to determine the angular distribution of 1 MeV Au ions after penetrating a Si3N4 foil with a thickness of ~100 nm. The exiting Au ions are collected by a Si wafer located ~14 mm behind the Si3N4 foil, and the resulting 2-dimensional distribution of Au ions on the Si wafer is measured by ToF-SIMS. The SRIM-predicted angular distribution of Au ions through the Si3N4 thin foil is compared with the measured results, indicating that SRIM slightly overestimates the nuclear stopping power by up to 10%. In addition, thickness reduction of the suspended Si3N4 foils induced by 1 MeV Au ion irradiation is observed with an average loss rate of ~107 atom/ion.

  18. Response-time improved hydrothermal-method-grown ZnO scintillator...

    Office of Scientific and Technical Information (OSTI)

    Response-time improved hydrothermal-method-grown ZnO scintillator for soft x-ray free-electron laser timing-observation Citation Details In-Document Search Title: Response-time...

  19. Hierarchical ZnO Structures Templated with Amino Acid Based Surfactant...

    Office of Scientific and Technical Information (OSTI)

    Title: Hierarchical ZnO Structures Templated with Amino Acid Based Surfactants Authors: Kim, S H ; Satcher, J H ; Han, T Y Publication Date: 2011-05-27 OSTI Identifier: 1184130...

  20. Luminescence and electrical properties of single ZnO/MgO core/shell nanowires

    SciTech Connect (OSTI)

    Grinblat, Gustavo; Comedi, David; Bern, Francis; Barzola-Quiquia, Jos; Esquinazi, Pablo; Tirado, Mnica

    2014-03-10

    To neutralise the influence of the surface of ZnO nanowires for photonics and optoelectronic applications, we have covered them with insulating MgO film and individually contacted them for electrical characterisation. We show that such a metal-insulator-semiconductor-type nanodevice exhibits a high diode ideality factor of 3.4 below 1?V. MgO shell passivates ZnO surface states and provides confining barriers to electrons and holes within the ZnO core, favouring excitonic ultraviolet radiative recombination, while suppressing defect-related luminescence in the visible and improving electrical conductivity. The results indicate the potential use of ZnO/MgO nanowires as a convenient building block for nano-optoelectronic devices.

  1. Electrical and structural properties of ZnO synthesized via infiltration of lithographically defined polymer templates

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chang-Yong Nam; Stein, Aaron; Kisslinger, Kim; Black, Charles T.

    2015-11-17

    We investigate the electrical and structural properties of infiltration-synthesized ZnO. In-plane ZnO nanowire arrays with prescribed positional registrations are generated by infiltrating diethlyzinc and water vapor into lithographically defined SU-8 polymer templates and removing organic matrix by oxygen plasma ashing. Transmission electron microscopy reveals that homogeneously amorphous as-infiltrated polymer templates transform into highly nanocrystalline ZnO upon removal of organic matrix. Field-effect transistor device measurements show that the synthesized ZnO after thermal annealing displays a typical n-type behavior, ~1019 cm-3 carrier density, and ~0.1 cm2 V-1 s-1 electron mobility, reflecting highly nanocrystalline internal structure. The results demonstrate the potential application ofmore » infiltration synthesis in fabricating metal oxide electronic devices.« less

  2. Yb-Zn-Al ternary system: CaCu{sub 5}-type derived compounds in...

    Office of Scientific and Technical Information (OSTI)

    derived compounds in the zinc-rich corner Citation Details In-Document Search Title: Yb-Zn-Al ternary system: CaCusub 5-type derived compounds in the zinc-rich corner As part of ...

  3. Synthesis of ZnO decorated graphene nanocomposite for enhanced photocatalytic properties

    SciTech Connect (OSTI)

    Gayathri, S.; Jayabal, P.; Kottaisamy, M.; Ramakrishnan, V.

    2014-05-07

    Zinc oxide/Graphene (GZ) composites with different concentrations of ZnO were successfully synthesized through simple chemical precipitation method. The X-ray diffraction pattern and the micro-Raman spectroscopic technique revealed the formation of GZ composite, and the energy dispersive X-ray spectrometry analysis showed the purity of the prepared samples. The ZnO nanoparticles decorated graphene sheets were clearly visible in the field emission scanning electron micrograph. Raman mapping was employed to analyze the homogeneity of the prepared samples. The diffuse-reflectance spectra clearly indicated that the formation of GZ composites promoted the absorption in the visible region also. The photocatalytic activity of ZnO and GZ composites was studied by the photodegradation of Methylene blue dye. The results revealed that the GZ composites exhibited a higher photocatalytic activity than pristine ZnO. Hence, we proposed a simple wet chemical method to synthesize GZ composite and its application on photocatalysis was demonstrated.

  4. Structural Studies of Al:ZnO Powders and Thin Films | Stanford...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    the ZnO lattice, and measure its effect on the crystallinity of thin films prepared by sol-gel techniques, with an aim to understand how these properties affect the film...

  5. Single-valley quantum Hall ferromagnet in a dilute MgxZn1-xO/ZnO strongly correlated two-dimensional electron system

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kozuka, Y.; Tsukazaki, A.; Maryenko, D.; Falson, J.; Bell, C.; Kim, M.; Hikita, Y.; Hwang, H. Y.; Kawasaki, M.

    2012-02-03

    We investigate the spin susceptibility (g*m*) of dilute two-dimensional (2D) electrons confined at the MgxZn1-xO/ZnO heterointerface. Magnetotransport measurements show a four-fold enhancement of g*m*, dominated by the increase in the Land g-factor. The g-factor enhancement leads to a ferromagnetic instability of the electron gas as evidenced by sharp resistance spikes. At high magnetic field, the large g*m* leads to full spin polarization, where we found sudden increase in resistance around the filling factors of half-integer, accompanied by complete disappearance of fractional quantum Hall (QH) states. Along with its large effective mass and the high electron mobility, our result indicates thatmorethe ZnO 2D system is ideal for investigating the effect of electron correlations in the QH regime.less

  6. Boundary Entropy Can Increase Under Bulk RG Flow (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    The boundary entropy log(g) can therefore increase during appropriate bulk flows. This is demonstrated explicitly in flows between minimal models. We discuss the applications of ...

  7. Zn speciation in a soil contaminated by the deposition of a dredged sediment by synchrotron X-ray techniques

    SciTech Connect (OSTI)

    Isaure, Marie-Pierre; Manceau, Alain; Laboudigue, Agnes; Tamura, Nobumichi; Marcus, Matthew A.

    2003-09-01

    The nature and proportion of Zn species present in an agricultural soil overlaid by a dredged contaminated sediment have been untangled by the novel combination of three non-invasive synchrotron-based x-ray techniques: x-ray microfluorescence ({mu}SXRF), microdiffraction ({mu}XRD), and absorption spectroscopy (EXAFS). One primary (franklinite) and two secondary (phyllomanganate and phyllosilicate) Zn-containing minerals were identified in the initial soil, and another primary (ZnS) and a new secondary (Fe-(oxyhydr)oxide) Zn species in the covered soil. The quantitative analysis of EXAFS spectra recorded on bulk samples indicated that ZnS and Zn-Fe (oxyhydr)oxides amounted to 71+-10 percent and 27+-10 percent, respectively, and the other Zn species to less than 10 percent. The two new Zn species found in the covered soil result from the gravitational migration of ZnS particles initially present in the sediment, and from their further oxidative dissolution and fixation of leached Zn on F e (oxyhydr) oxides.

  8. Low-temperature aqueous-phase reforming of ethanol on bimetallic PdZn catalysts

    SciTech Connect (OSTI)

    Xiong, Haifeng; DelaRiva, Andrew; Wang, Yong; Dayte, Abhaya

    2015-01-01

    Bimetallic PdZn catalysts supported on carbon black (CB) and carbon nanotubes (CNTs) were found to be selective for CO-free H-2 production from ethanol at low temperature (250 degrees C). On Pd, the H-2 yield was low (similar to 0.3 mol H-2/mol ethanol reacted) and the CH4/CO2 ratio was high (similar to 1.7). Addition of Zn to Pd formed the intermetallic PdZn beta phase (atomic ratio of Zn to Pd is 1) with increased H-2 yield (similar to 1.9 mol H-2/mol ethanol reacted) and CH4/CO2 ratio of <1. The higher H-2 yield and low CH4 formation was related to the improved dehydrogenation activity of the L1(0) PdZn beta phase. The TOF increased with particle size and the CNTs provided the most active and selective catalysts, which may be ascribed to pore-confinement effects. Furthermore, no significant changes in either the supports or the PdZn beta particles was found after aqueous-phase reforming (APR) indicating that the metal nanoparticles and the carbon support are hydrothermally stable in the aqueous phase at elevated temperatures and pressures (>200 degrees C, 65 bar). No CO was detected for all the catalysts performed in aqueous-phase reaction, indicating that both monometallic Pd and bimetallic PdZn catalysts have high water-gas shift activity during APR. However, the yield of H-2 is considerably lower than the theoretical value of 6 H-2 per mole ethanol which is due to the presence of oxygenated products and methane on the PdZn catalysts.

  9. Piezoelectric and luminescent properties of ZnO nanostructures on Ag films.

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Conference: Piezoelectric and luminescent properties of ZnO nanostructures on Ag films. Citation Details In-Document Search Title: Piezoelectric and luminescent properties of ZnO nanostructures on Ag films. No abstract prepared. Authors: Tallant, David Robert ; Missert, Nancy A. ; Scrymgeour, David ; Voigt, James A. ; Liu, J. [1] ; Hsu, Julia, W. P. + Show Author Affiliations (.) Publication Date: 2006-11-01 OSTI Identifier: 898423 Report Number(s):

  10. Thin-film polycrystalline n-ZnO/p-CuO heterojunction

    SciTech Connect (OSTI)

    Lisitski, O. L.; Kumekov, M. E.; Kumekov, S. E. Terukov, E. I.

    2009-06-15

    Results of X-ray diffraction and spectral-optical studies of n-ZnO and p-CuO films deposited by gas-discharge sputtering with subsequent annealing are presented. It is shown that, despite the difference in the crystal systems, the polycrystallinity of n-ZnO and p-CuO films enables fabrication of a heterojunction from this pair of materials.

  11. Self-assembled ultra small ZnO nanocrystals for dye-sensitized solar cell application

    SciTech Connect (OSTI)

    Patra, Astam K.; Dutta, Arghya; Bhaumik, Asim

    2014-07-01

    We demonstrate a facile chemical approach to produce self-assembled ultra-small mesoporous zinc oxide nanocrystals using sodium salicylate (SS) as a template under hydrothermal conditions. These ZnO nanomaterials have been successfully fabricated as a photoanode for the dye-sensitized solar cell (DSSC) in the presence of N719 dye and iodinetriiodide electrolyte. The structural features, crystallinity, purity, mesophase and morphology of the nanostructure ZnO are investigated by several characterization tools. N{sub 2} sorption analysis revealed high surface areas (203 m{sup 2} g{sup ?1}) and narrow pore size distributions (5.15.4 nm) for different samples. The mesoporous structure and strong photoluminescence facilitates the high dye loading at the mesoscopic void spaces and light harvesting in DSSC. By utilizing this ultra-small ZnO photoelectrode with film thickness of about 7 ?m in the DSSC with an open-circuit voltage (V{sub OC}) of 0.74 V, short-circuit current density (J{sub SC}) of 3.83 mA cm{sup ?2} and an overall power conversion efficiency of 1.12% has been achieved. - Graphical abstract: Ultra-small ZnO nanocrystals have been synthesized with sodium salicylate as a template and using it as a photoanode in a dye-sensitized solar cell 1.12% power conversion efficiency has been observed. - Highlights: Synthesis of self-assembled ultra-small mesoporous ZnO nanocrystals by using sodium salicylate as a template. Mesoporous ZnO materials have high BET surface areas and void space. ZnO nanoparticles serve as a photoanode for the dye-sensitized solar cell (DSSC). Using ZnO nanocrystals as photoelectrode power conversion efficiency of 1.12% has been achieved.

  12. Characterization of Aerosols Containing Zn, Pb, and Cl from an Industrial Region of Mexico City

    SciTech Connect (OSTI)

    Moffet, Ryan C.; Desyaterik, Yury; Hopkins, Rebecca J.; Tivanski, Alexei V.; Gilles, Marry K.; Wang, Yan A.; Shutthanandan, V.; Molina, Luisa T.; Abraham, Rodrigo G.; Johnson, Kirsten S.; Mugica, Violeta; Molina, Mario J.; Laskin, Alexander; Prather, Kimberly A.

    2008-10-01

    During the March, 2006 MILAGRO campaign, measurements in the Northern Mexico City Metropolitan Area revealed the frequent appearance of particles with a characteristically high content of internally mixed Zn, Pb, Cl, and P. A comprehensive study of the chemical and physical properties of these particles was performed using a complementary combination of aerosol measurement techniques. Individual particles were analyzed using Aerosol Time-of-Flight Mass Spectrometry (ATOFMS) and Computer Controlled Scanning Electron Microscopy/Energy Dispersive X-Ray spectroscopy (CCSEM/EDX). Proton Induced X-Ray Emission (PIXE) analysis of bulk aerosol samples provided time-resolved mass concentrations of individual elements. The PIXE measurements indicated that Zn is more strongly correlated with Cl than with any other element and that Zn concentrations are higher than other non-ferrous transition metals. The Zn- and Pb - containing particles have both spherical and non-spherical morphologies. Many metal rich particles had needle-like structures and were found to be composed of ZnO and/or Zn(NO3)2?6H2O as indicated by scanning transmission x-ray microscopy/near edge X-ray absorption spectroscopy (STXM/NEXAFS). The Zn and Pb rich particles were primarily in the submicron size range and internally mixed with elemental carbon. The unique chemical associations most closely match signatures acquired for garbage incineration. This unique combination of complementary analytical techniques has allowed for a comprehensive evaluation of Zn- and Pb- containing particles in a complex urban environment, highlighting unique characteristics that give powerful insight into their origin.

  13. System size dependence of cluster properties from two-particle angular correlations in Cu+Cu and Au+Au collisions at sq root(s{sub NN})=200 GeV

    SciTech Connect (OSTI)

    Alver, B.; Ballintijn, M.; Busza, W.; Gulbrandsen, K.; Henderson, C.; Kane, J. L.; Kulinich, P.; Li, W.; Loizides, C.; Reed, C.; Roland, C.; Roland, G.; Stephans, G. S. F.; Nieuwenhuizen, G. J. van; Vaurynovich, S. S.; Verdier, R.; Veres, G. I.; Wenger, E.; Wyslouch, B.; Back, B. B.

    2010-02-15

    We present results on two-particle angular correlations in Cu+Cu and Au+Au collisions at a center-of-mass energy per nucleon pair of 200 GeV over a broad range of pseudorapidity (eta) and azimuthal angle (phi) values as a function of collision centrality. The PHOBOS detector at the Relativistic Heavy Ion Collider has a uniquely large angular coverage for inclusive charged particles, which allows for the study of correlations on both long- and short-range scales. A complex two-dimensional correlation structure in {Delta}{eta} and {Delta}{phi} emerges, which is interpreted in the context of a cluster model. The effective cluster size and decay width are extracted from the two-particle pseudorapidity correlation functions. The effective cluster size found in semicentral Cu+Cu and Au+Au collisions is comparable to that found in proton-proton collisions but a nontrivial decrease in size with increasing centrality is observed. Moreover, a comparison of results from Cu+Cu versus Au+Au collisions shows an interesting scaling of the effective cluster size with the measured fraction of total cross section (which is related to the ratio of the impact parameter to the nuclear radius, b/2R), suggesting a geometric origin. Further analysis for pairs from restricted azimuthal regions shows that the effective cluster size at {Delta}{phi}{approx}180 deg. drops more rapidly toward central collisions than the size at {Delta}{phi}{approx}0 deg. The effect of limited {eta} acceptance on the cluster parameters is also addressed, and a correction is applied to present cluster parameters for full {eta} coverage, leading to much larger effective cluster sizes and widths than previously noted in the literature. These results should provide insight into the hot and dense medium created in heavy ion collisions.

  14. Determination of reactive oxygen species from ZnO micro-nano structures with shape-dependent photocatalytic activity

    SciTech Connect (OSTI)

    He, Weiwei; Zhao, Hongxiao; Jia, Huimin; Yin, Jun-Jie; Zheng, Zhi

    2014-05-01

    Graphical abstract: ZnO micro/nano structures with shape dependent photocatalytic activity were prepared by hydrothermal reaction. The generations of hydroxyl radical, superoxide and singlet oxygen from irradiated ZnO were identified precisely by electron spin resonance spectroscopy. The type of reactive oxygen species was determined by band gap structure of ZnO. - Highlights: ZnO micro/nano structures with different morphologies were prepared by solvothermal reaction. Multi-pod like ZnO structures exhibited superior photocatalytic activity. The generations of hydroxyl radical, superoxide and singlet oxygen from irradiated ZnO were characterized precisely by electron spin resonance spectroscopy. The type of reactive oxygen species was determined by band gap structure of ZnO. - Abstract: ZnO micro/nano structures with different morphologies have been prepared by the changing solvents used during their synthesis by solvothermal reaction. Three typical shapes of ZnO structures including hexagonal, bell bottom like and multi-pod formed and were characterized by scanning electron microscopy and X-ray diffraction. Multi pod like ZnO structures exhibited the highest photocatalytic activity toward degradation of methyl orange. Using electron spin resonance spectroscopy coupled with spin trapping techniques, we demonstrate an effective way to identify precisely the generation of hydroxyl radicals, superoxide and singlet oxygen from the irradiated ZnO multi pod structures. The type of reactive oxygen species formed was predictable from the band gap structure of ZnO. These results indicate that the shape of micro-nano structures significantly affects the photocatalytic activity of ZnO, and demonstrate the value of electron spin resonance spectroscopy for characterizing the type of reactive oxygen species formed during photoexcitation of semiconductors.

  15. Effects of hydrogen on the optical properties of ZnCdO/ZnO quantum wells grown by molecular beam epitaxy

    SciTech Connect (OSTI)

    Buyanova, I. A.; Wang, X. J.; Chen, W. M.; Pozina, G.; Lim, W.; Norton, D. P.; Pearton, S. J.; Osinsky, A.; Dong, J. W.; Hertog, B.

    2008-06-30

    Temperature-dependent cw- and time-resolved photoluminescence (PL), as well as optically detected magnetic resonance (ODMR) measurements are employed to evaluate effects of deuterium (2H) doping on optical properties of ZnCdO/ZnO quantum well structures grown by molecular beam epitaxy. It is shown that incorporation of {sup 2}H from a remote plasma causes a substantial improvement in radiative efficiency of the investigated structures. Based on transient PL measurements, the observed improvements are attributed to efficient passivation by hydrogen of competing nonradiative recombination centers via defects. This conclusion is confirmed from the ODMR studies.

  16. The (111) Surface of NaAu2. Structure, Composition, and Stability

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kwolek, Emma J.; Widmer, Roland; Gröning, Oliver; Deniz, Okan; Walen, Holly; Yuen, Chad D.; Huang, Wenyu; Schlagel, Deborah L.; Wallingford, Mark; Thiel, Patricia A.

    2014-12-17

    The (111) surface of single-crystal NaAu2 is a model for catalytically active, powdered NaAu2. We prepare and characterize this surface with a broad suite of techniques. Preparation in ultrahigh vacuum consists of the traditional approach of ion bombardment (to remove impurities) and thermal annealing (to restore surface order). Both of these steps cause loss of sodium (Na), and repeated treatments eventually trigger conversion of the surface and near-surface regions to crystalline gold. The bulk has a limited ability to repopulate the surface Na. Under conditions where Na depletion is minimized, electron diffraction patterns are consistent with the bulk-terminated structure, andmore » scanning tunneling microscopy reveals mesa-like features with lateral dimensions of a few tens of nanometers. The tops of the mesas do not possess fine structure characteristic of a periodic lattice, suggesting that the surface layer is disordered under the conditions of these experiments.« less

  17. OBSERVATIONS OF ISOTROPIC INTERSTELLAR PICK-UP IONS AT 11 AND 17 AU FROM NEW HORIZONS

    SciTech Connect (OSTI)

    Randol, B. M.; McComas, D. J.; Elliott, H. A.; Gosling, J. T.; Schwadron, N. A.

    2012-08-10

    We report new observations by the Solar Wind Around Pluto (SWAP) instrument on the New Horizons spacecraft of an energy-per-charge (E/q) spectrum of interstellar pick-up ions (PUIs) from an unprecedented heliocentric distance of 17 AU. This E/q spectrum is fit well by an isotropic PUI distribution function combined with the detailed response of the SWAP instrument. In contrast to earlier work, we are also able to fit an isotropic PUI model to an E/q spectrum measured by SWAP at 11.3 AU by explicitly including two additional effects. These are (1) the E/q-dependent geometric factor of SWAP, which increases with decreasing E/q owing to effects associated with the post-acceleration of particles exiting the electrostatic analyzer portion of the instrument; and (2) a solar wind distribution, the model spectrum of which contributes significantly to the low-E/q part of the overall model owing, presumably, to secondary particles produced within the instrument.

  18. A novel investigation on carbon nanotube/ZnO, Ag/ZnO and Ag/carbon nanotube/ZnO nanowires junctions for harvesting piezoelectric potential on textile

    SciTech Connect (OSTI)

    Khan, Azam Edberg, Jesper; Nur, Omer; Willander, Magnus

    2014-07-21

    In the present work, three junctions were fabricated on textile fabric as an alternative substrate for harvesting piezoelectric potential. First junction was formed on ordinary textile as (textile/multi-walled carbon nanotube film/zinc oxide nanowires (S1: T/CNTs/ZnO NWs)) and the other two were formed on conductive textile with the following layer sequence: conductive textile/zinc oxide nanowires (S2: CT/ZnO NWs) and conductive textile/multi-walled carbon nanotubes film/zinc oxide nanowires (S3: CT/CNTs/ZnO NWs). Piezoelectric potential was harvested by using atomic force microscopy in contact mode for the comparative analysis of the generated piezoelectric potential. ZnO NWs were synthesized by using the aqueous chemical growth method. Surface analysis of the grown nanostructures was performed by using scanning electron microscopy and transmission electron microscopy. The growth orientation and crystalline size were studied by using X-ray diffraction technique. This study reveals that textile as an alternative substrate have many features like cost effective, highly flexible, nontoxic, light weight, soft, recyclable, reproducible, portable, wearable, and washable for nanogenerators fabrication with acceptable performance and with a wide choice of modification for obtaining large amount of piezoelectric potential.

  19. Platelets to rings: Influence of sodium dodecyl sulfate on Zn-Al layered double hydroxide morphology

    SciTech Connect (OSTI)

    Yilmaz, Ceren; Unal, Ugur; Yagci Acar, Havva

    2012-03-15

    In the current study, influence of sodium dodecyl sulfate (SDS) on the crystallization of Zn-Al layered double hydroxide (LDH) was investigated. Depending on the SDS concentration coral-like and for the first time ring-like morphologies were obtained in a urea-hydrolysis method. It was revealed that the surfactant level in the starting solution plays an important role in the morphology. Concentration of surfactant equal to or above the anion exchange capacity of the LDH is influential in creating different morphologies. Another important parameter was the critical micelle concentration (CMC) of the surfactant. Surfactant concentrations well above CMC value resulted in ring-like structures. The crystallization mechanism was discussed. - Graphical abstract: Dependence of ZnAl LDH Morphology on SDS concentration. Highlights: Black-Right-Pointing-Pointer In-situ intercalation of SDS in ZnAl LDH was achieved via urea hydrolysis method. Black-Right-Pointing-Pointer Morphology of ZnAl LDH intercalated with SDS depended on the SDS concentration. Black-Right-Pointing-Pointer Ring like morphology for SDS intercalated ZnAl LDH was obtained for the first time. Black-Right-Pointing-Pointer Growth mechanism was discussed. Black-Right-Pointing-Pointer Template assisted growth of ZnAl LDH was proposed.

  20. Hydroquinone-ZnO nano-laminate deposited by molecular-atomic layer deposition

    SciTech Connect (OSTI)

    Huang, Jie; Lucero, Antonio T.; Cheng, Lanxia; Kim, Jiyoung; Hwang, Hyeon Jun; Ha, Min-Woo

    2015-03-23

    In this study, we have deposited organic-inorganic hybrid semiconducting hydroquinone (HQ)/zinc oxide (ZnO) superlattices using molecular-atomic layer deposition, which enables accurate control of film thickness, excellent uniformity, and sharp interfaces at a low deposition temperature (150 °C). Self-limiting growth of organic layers is observed for the HQ precursor on ZnO surface. Nano-laminates were prepared by varying the number of HQ to ZnO cycles in order to investigate the physical and electrical effects of different HQ to ZnO ratios. It is indicated that the addition of HQ layer results in enhanced mobility and reduced carrier concentration. The highest Hall mobility of approximately 2.3 cm{sup 2}/V·s and the lowest n-type carrier concentration of approximately 1.0 × 10{sup 18}/cm{sup 3} were achieved with the organic-inorganic superlattice deposited with a ratio of 10 ZnO cycles to 1 HQ cycle. This study offers an approach to tune the electrical transport characteristics of ALD ZnO matrix thin films using an organic dopant. Moreover, with organic embedment, this nano-laminate material may be useful for flexible electronics.

  1. Ferromagnetism in Gd doped ZnO nanowires: A first principles study

    SciTech Connect (OSTI)

    Aravindh, S. Assa; Schwingenschloegl, Udo E-mail: iman.roqan@kaust.edu.sa; Roqan, Iman S. E-mail: iman.roqan@kaust.edu.sa

    2014-12-21

    In several experimental studies, room temperature ferromagnetism in Gd-doped ZnO nanostructures has been achieved. However, the mechanism and the origin of the ferromagnetism remain controversial. We investigate the structural, magnetic, and electronic properties of Zn{sub 48}O{sub 48} nanowires doped with Gd, using density functional theory. Our findings indicate that substitutionally incorporated Gd atoms prefer occupying the surface Zn sites. Moreover, the formation energy increases with the distance between Gd atoms, signifying that no Gd-Gd segregation occurs in the nanowires within the concentration limit of ?2%. Gd induces ferromagnetism in ZnO nanowires with magnetic coupling energy up to 21?meV in the neutral state, which increases with additional electron and O vacancy, revealing the role of carriers in magnetic exchange. The potential for achieving room temperature ferromagnetism and high T{sub C} in ZnO:Gd nanowires is evident from the large ferromagnetic coupling energy (200?meV) obtained with the O vacancy. Density of states shows that Fermi level overlaps with Gd f states with the introduction of O vacancy, indicating the possibility of s-f coupling. These results will assist in understanding experimental findings in Gd-doped ZnO nanowires.

  2. Nucleation and growth of ZnO on PMMA by low-temperature atomic layer deposition

    SciTech Connect (OSTI)

    Napari, Mari Malm, Jari; Lehto, Roope; Julin, Jaakko; Arstila, Kai; Sajavaara, Timo; Lahtinen, Manu

    2015-01-15

    ZnO films were grown by atomic layer deposition at 35?C on poly(methyl methacrylate) substrates using diethylzinc and water precursors. The film growth, morphology, and crystallinity were studied using Rutherford backscattering spectrometry, time-of-flight elastic recoil detection analysis, atomic force microscopy, scanning electron microscopy, and x-ray diffraction. The uniform film growth was reached after several hundreds of deposition cycles, preceded by the precursor penetration into the porous bulk and island-type growth. After the full surface coverage, the ZnO films were stoichiometric, and consisted of large grains (diameter 30?nm) with a film surface roughness up to 6?nm (RMS). The introduction of Al{sub 2}O{sub 3} seed layer enhanced the initial ZnO growth substantially and changed the surface morphology as well as the crystallinity of the deposited ZnO films. Furthermore, the water contact angles of the ZnO films were measured, and upon ultraviolet illumination, the ZnO films on all the substrates became hydrophilic, independent of the film crystallinity.

  3. Ab initio study of MXe{sub n}{sup +} (M=Cu, Ag, and Au; n=1,2)

    SciTech Connect (OSTI)

    Li Xinying; Cao Xue

    2008-02-15

    The equilibrium geometries, vibrational frequencies, dissociation energies, and populations of the title species were studied at Hartree-Fock (HF), second-order Moeller-Plesset (MP2), and coupled-cluster singles-doubles (triples) [CCSD(T)] levels. The electron correlation effects and relativistic effects on the geometry and stability were investigated at the CCSD(T) level. Both effects stabilize title species. The populations analyses show that M-Xe bonding is dominated by electrostatic interactions and the best theoretical estimate of the dissociation energies are 1.104 and 2.260 eV for AuXe{sup +} and AuXe{sub 2}{sup +}, respectively. The Cu and Ag are weakly bonded to Xe compared to Au.

  4. Au133(SPh-tBu)52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis

    SciTech Connect (OSTI)

    Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy; Kumara, Chanaka; Jupally, Vijay Reddy; Fortunelli, Alessandro; Sementa, Luca; Barcaro, Giovanni; Zuo, Xiaobing; Noll, Bruce C.

    2015-04-15

    Crystal structure determination has revolutionized modern science in biology, chemistry, and physics. However, the difficulty in obtaining periodic crystal lattices which are needed for X-ray crystal analysis has hindered the determination of atomic structure in nanomaterials, known as the nanostructure problem. Here, by using rigid and bulky ligands, we have overcome this limitation and successfully solved the X-ray crystallographic structure of the largest reported thiolated gold nanomolecule, Au133S52. The total composition, Au133(SPh-tBu)52, was verified using high resolution electrospray ionization mass spectrometry (ESI-MS). The experimental and simulated optical spectra show an emergent surface plasmon resonance that is more pronounced than in the slightly larger Au144(SCH2CH2Ph)60. Theoretical analysis indicates that the presence of rigid and bulky ligands is the key to the successful crystal formation.

  5. Adsorption and switching properties of a N-benzylideneaniline based molecular switch on a Au(111) surface

    SciTech Connect (OSTI)

    Ovari, Laszlo; Luo, Ying; Haag, Rainer; Leyssner, Felix; Tegeder, Petra; Wolf, Martin

    2010-07-28

    High resolution electron energy loss spectroscopy has been employed to analyze the adsorption geometry and the photoisomerization ability of the molecular switch carboxy-benzylideneaniline (CBA) adsorbed on Au(111). CBA on Au(111) adopts a planar (trans) configuration in the first monolayer (ML) as well as for higher coverages (up to 6 ML), in contrast to the strongly nonplanar geometry of the molecule in solution. Illumination with UV light of CBA in direct contact with the Au(111) surface ({<=}1 ML) caused no changes in the vibrational structure, whereas at higher coverages (>1 ML) pronounced modifications of vibrational features were observed, which we assign to a trans{yields}cis isomerization. Thermal activation induced the back reaction to trans-CBA. We propose that the photoisomerization is driven by a direct (intramolecular) electronic excitation of the adsorbed CBA molecules in the second ML (and above) analogous to CBA in the liquid phase.

  6. Rotational and angular distributions of NO products from NO-Rg(Rg = He, Ne, Ar) complex photodissociation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Heather L. Holmes-Ross; Hall, Gregory E.; Valenti, Rebecca J.; Yu, Hua -Gen; Lawrance, Warren D.

    2016-01-29

    In this study, we present the results of an investigation into the rotational and angular distributions of the NO A~ state fragment following photodissociation of the NO-He, NO-Ne and NO-Ar van der Waals complexed excited via the A~ ← X~ transition. For each complex the dissociation is probed for several values of Ea, the available energy above the dissociation threshold.

  7. The Golden Crown: A Single Au Atom that Boosts the CO Oxidation Catalyzed by a Palladium Cluster on Titania Surfaces

    SciTech Connect (OSTI)

    Zhang, Jin; Alexandrova, Anastassia N.

    2013-07-18

    We show that at the subnano scale, the catalytic properties of surface-supported clusters can be majorly impacted by strategic doping and the choice for the supporting surface. This is a first-principles investigation of CO oxidation catalyzed by two subnanoclusters, Pd4Au and Pd5, deposited on rutile TiO2(110) surfaces. The titania surface was found to participate in the reaction directly via providing additional reaction pathways. The bimetallic cluster Pd4Au shows enhanced catalytic activity, whereas the monometallic Pd5 is poisoned and deactivated in the presence of CO and oxygen, and this trend is reversed from that in the gas phase.

  8. Microsoft Word - AU Funtional Area Points of Contact by Office Directors- Rev 1 04-28-15

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Functional Area Points of Contact Listing by AU Office Director Page 1 of 11 Integrated AU-1.2, -10, -20, -50 - August 21, 2014 Function/Subject Director Email Phone Accident Investigations Andy Lawrence Andrew.lawrence@hq.doe.gov (202) 586-6740 Administrative Review (Clearance eligibility determinations) Robert Lingan Robert.lingan@hq.doe.gov (202) 586-1461 Annual Report to Congress on Special Nuclear Material Robert Lingan Robert.lingan@hq.doe.gov (202) 586-1461 Annual Site Environmental

  9. Optical injection probing of single ZnO tetrapod lasers

    SciTech Connect (OSTI)

    Szarko, Jodi M.; Song, Jae Kyu; Blackledge, Charles Wesley; Swart, Ingmar; Leone, Stephen R.; Li, Shihong; Zhao, Yiping

    2004-11-23

    The properties of zinc oxide (ZnO) nanotetrapod lasers are characterized by a novel ultrafast two-color pump/stimulated emission probe technique. Single legs of tetrapod species are isolated by a microscope objective, pumped by 267 nm pulses, and subjected to a time-delayed 400 nm optical injection pulse, which permits investigation of the ultrafast carrier dynamics in the nanosize materials. With the optical injection pulse included, a large increase in the stimulated emission at 400 nm occurs, which partially depletes the carriers at this wavelength and competes with the normal 390 nm lasing. At the 390 nm lasing wavelengths, the optical injection causes a decrease in the stimulated emission due to the energetic redistribution of the excited carrier depletion, which occurs considerably within the time scale of the subpicosecond duration of the injection pulse. The effects of the optical injection on the spectral gain are employed to probe the lasing dynamics, which shows that the full width at half maximum of the lasing time is 3 ps.

  10. Doping of ZnO nanowires using phosphorus diffusion from a spin-on doped glass source

    SciTech Connect (OSTI)

    Bocheux, A.; Robin, I. C.; Bonaimé, J.; Hyot, B.; Feuillet, G.; Kolobov, A. V.; Fons, P.; Mitrofanov, K. V.; Tominaga, J.; Tamenori, Y.

    2014-05-21

    In this article, we report on ZnO nanowires that were phosphorus doped using a spin on dopant glass deposition and diffusion method. Photoluminescence measurements suggest that this process yields p-doped ZnO. The spatial location of P atoms was studied using x-ray near-edge absorption structure spectroscopy and it is concluded that the doping is amphoteric with P atoms located on both Zn and O sites.

  11. Nuclear matter effects on J/ψ production in asymmetric Cu + Au collisions at \\(\\sqrt{s_{\\mathrm{NN}}} = 200\\) GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Akimoto, R.; Alexander, J.; Alfred, M.; Aoki, K.; Apadula, N.; Aramaki, Y.; et al

    2014-12-18

    We report on J/ψ production from asymmetric Cu+Au heavy-ion collisions at \\(\\sqrt{s_{\\mathrm{NN}}} = 200\\) GeV at the Relativistic Heavy Ion Collider at both forward (Cu-going direction) and backward (Au-going direction) rapidities. The nuclear modification of J/ψ yields in Cu+Au collisions in the Au-going direction is found to be comparable to that in Au+Au collisions when plotted as a function of the number of participating nucleons. In the Cu-going direction, J/ψ production shows a stronger suppression. This difference is comparable in magnitude and has the same sign as the difference expected from shadowing effects due to stronger low-x gluon suppression inmore » the larger Au nucleus. Thus, the relative suppression is opposite to that expected from hot nuclear matter dissociation, since a higher energy density is expected in the Au-going direction.« less

  12. Characterization of nanocrystalline ZnO:Al films by sol-gel spin coating method

    SciTech Connect (OSTI)

    Gareso, P. L. Rauf, N. Juarlin, E.; Sugianto,; Maddu, A.

    2014-09-25

    Nanocrystalline ZnO films doped with aluminium by sol-gel spin coating method have been investigated using optical transmittance UV-Vis and X-ray diffraction (X-RD) measurements. ZnO films were prepared using zinc acetate dehydrate (Zn(CH{sub 3}COO){sub 2}@@2H{sub 2}O), ethanol, and diethanolamine (DEA) as a starting material, solvent, and stabilizer, respectively. For doped films, AlCl{sub 3} was added to the mixture. The ZnO:Al films were deposited on a transparent conductive oxide (TCO) substrate using spin coating technique at room temperature with a rate of 3000 rpm in 30 sec. The deposited films were annealed at various temperatures from 400C to 600C during 60 minutes. The transmittance UV-Vis measurement results showed that after annealing at 400C, the energy band gap profile of nanocrystalline ZnO:Al film was a blue shift. This indicated that the band gap of ZnO:Al increased after annealing due to the increase of crystalline size. As the annealing temperature increased the bandgap energy was a constant. In addition to this, there was a small oscillation occurring after annealing compared to the asgrown samples. In the case of X-RD measurements, the crystalinity of the films were amorphous before annealing, and after annealing the crystalinity became enhance. Also, X-RD results showed that structure of nanocrystalline ZnO:Al films were hexagonal polycrystalline with lattice parameters are a = 3.290 and c = 5.2531 .

  13. The Effect Of ZnO Addition On Co/C Catalyst For Vapor And Aqueous Phase Reforming Of Ethanol

    SciTech Connect (OSTI)

    Davidson, Stephen; Sun, Junming; Hong, Yongchun; Karim, Ayman M.; Datye, Abhaya K.; Wang, Yong

    2014-02-05

    The effect of ZnO addition on the oxidation behavior of Co along with catalytic performance in vapor and aqueous phase reforming of ethanol were investigated on Co supported on carbon black (XC-72R). Carbon was selected to minimize the support interactions. Effect of ZnO addition during both vapor and aqueous phase reforming were compared at 250 C. ZnO addition inhibited the reduction of cobalt oxides by H2 and created surface sites for H2O activation. During vapor phase reforming at 450 C the redox of cobalt, driven by steam oxidation and H2 reduction, trended to an equilibrium of Co0/Co2+. ZnO showed no significant effect on cobalt oxidation, inferred from the minor changes of C1 product yield. Surface sites created by ZnO addition enhanced water activation and oxidation of surface carbon species, increasing CO2 selectivity. At 250 C cobalt reduction was minimal, in situ XANES demonstrated that ZnO addition significantly facilitated oxidation of Co0 under vapor phase reforming conditions, demonstrated by lower C1 product yield. Sites introduced by ZnO addition improved the COx selectivity at 250 C. Both Co/C and Co-ZnO/C rapidly oxidized under aqueous phase reaction conditions at 250 C, showing negligible activity in aqueous phase reforming. This work suggests that ZnO affects the activation of H2O for Co catalysts in ethanol reforming.

  14. Development of vertically aligned ZnO-nanowires scintillators for high spatial resolution x-ray imaging

    SciTech Connect (OSTI)

    Kobayashi, Masakazu Komori, Jun; Shimidzu, Kaiji; Izaki, Masanobu; Uesugi, Kentaro; Takeuchi, Akihisa; Suzuki, Yoshio

    2015-02-23

    Newly designed scintillator of (0001)-oriented ZnO vertical nanowires (vnws) for X-ray imaging was prepared on a Ga-doped ZnO/soda-lime glass by electrodeposition, and the light emission feature was estimated in a synchrotron radiation facility. The ZnO-vnws scintillator revealed a strong light emission and improved resolution on CMOS image compared with that for the ZnO-layer scintillator, although the light emission performance was deteriorated in comparison to the Lu{sub 3}Al{sub 5}O{sub 12:}Ce{sup 3+}. The light emission property closely related to the nanostructure and the resultant photoluminescence characteristic.

  15. The effect of Ce{sup 4+} incorporation on structural, morphological and photocatalytic characters of ZnO nanoparticles

    SciTech Connect (OSTI)

    Kannadasan, N.; Shanmugam, N. Cholan, S.; Sathishkumar, K.; Viruthagiri, G.; Poonguzhali, R.

    2014-11-15

    We report a simple chemical precipitation method for the preparation of undoped and cerium doped ZnO nanocrystals. The concentration of cerium in the products can be controlled in the range of 0.0250.125 mol. The structure and chemical compositions of the products were characterized by X-ray diffraction, X-ray photoelectron spectroscopy; energy dispersive spectrum and Fourier transform infrared spectroscopy. The results demonstrate that Ce{sup 4+} ions were successfully incorporated into the lattice position of Zn{sup 2+} ions in ZnO. The morphology of the products was analyzed by field emission scanning electron microscopy and confirmed by high resolution transmission electron microscope analysis. The optical properties of the products were studied by ultravioletvisible and room temperature photoluminescence measurements. The photoluminescence emission spectra of Ce-doped ZnO showed enhanced visible emissions as a result of 5d ? 4f transition of cerium. In particular, a novel photocatalytic activity of the products was assessed using methylene blue. The obtained result reveals that Ce-doped products show higher reduction efficiency for methylene blue than the undoped ZnO. - Highlights: Nanocrystals of ZnO and ZnO:Ce{sup 4+} were grown. XPS results confirmed the incorporated cerium in tetravalence. PL emission exhibited 5d ? 4f transition on cerium doping. Doped ZnO decolorizes MB faster than undoped ZnO.

  16. La-doped ZnO nanoparticles: Simple solution-combusting preparation and applications in the wastewater treatment

    SciTech Connect (OSTI)

    Wu, Tingting; Ni, Yonghong; Ma, Xiang; Hong, Jianming

    2013-11-15

    Graphical abstract: La-doped ZnO nanoparticles have been successfully prepared by a simple solution combustion route and exhibit good adsorption for Cu and Pb ion from water systems. - Highlights: La-doped ZnO nanoparticles were successfully prepared via a simple solution-combustion route. The integration of La{sup 3+} ions into ZnO decreased the band-gap of ZnO nanoparticles. La-doped ZnO nanoparticles could remove more Pb and Cu ions from water resources than undoped ZnO. - Abstract: La-doped ZnO nanoparticles have been successfully synthesized by a simple solution combustion method via employing a mixture of ethanol and ethyleneglycol (v/v = 60/40) as the solvent. Zinc acetate and oxygen gas in the atmosphere were used as zinc and oxygen sources, and La(NO{sub 3}){sub 3} as the doping reagent. The as-obtained product was characterized by means of powder X-ray diffraction, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectrometry and X-ray photoelectron spectroscopy. Experiments showed that La-doped ZnO nanoparticles exhibited the higher capacities for the removal of Pb{sup 2+} and Cu{sup 2+} ions in water resource than undoped ZnO nanoparticles.

  17. The Investigation of Decomposition of Supersaturated Si<Zn> Solid Solution by X-Ray Diffuse Scattering

    SciTech Connect (OSTI)

    Shcherbachev, Kirill; Privezentsev, Vladimir

    2010-04-06

    The results of investigation of microstructure of Zn doped n-type Si by X-ray Diffuse Scattering (XRDS) are presented. Experimental samples were made by a high-temperature Zn diffusion annealing with subsequent quenching and tempering. Reciprocal space maps of XRDS were obtained. They resulted in that crystal lattice of the samples contains spherical MDs of vacancy type and plane shape MDs of interstitial type. The MDs average radius and their type depend on Zn doping level and thermal treatment after Zn diffusion.

  18. Gold-rich R3Au7Sn3: Establishing the interdependence between electronic features and physical properties

    SciTech Connect (OSTI)

    Provino, Alessia; Steinberg, Simon; Smetana, Volodymyr; Kulkarni, Ruta; Dhar, Sudesh K.; Manfrinetti, Pietro; Mudring, Anja -Verena

    2015-05-18

    Two new polar intermetallic compounds Y3Au7Sn3 (I) and Gd3Au7Sn3 (II) have been synthesized and their structures have been determined by single crystal X-ray diffraction (P63/m; Z = 2, a = 8.148(1)/8.185(3), and c = 9.394(2)/9.415(3) for I/II, respectively). They can formally be assigned to the Cu10Sn3 type and consist of parallel slabs of Sn centered, edge-sharing trigonal Au6 antiprisms connected through R3 (R = Y, Gd) triangles. Additional Au atoms reside in the centres of trigonal Au6 prisms forming Au@Au6 clusters with Au–Au distances of 2.906–2.960 Å, while the R–R contacts in the R3 groups are considerably larger than the sums of their metallic radii. These exclusive structural arrangements provide alluring systems to study the synergism between strongly correlated systems, particularly, those in the structure of (II), and extensive polar intermetallic contacts, which has been inspected by measurements of the magnetic properties, heat capacities and electrical conductivities of both compounds. Gd3Au7Sn3 shows an antiferromagnetic ordering at 13 K, while Y3Au7Sn3 is a Pauli paramagnet and a downward curvature in its electrical resistivity at about 1.9 K points to a superconducting transition. DFT-based band structure calculations on R3Au7Sn3 (R = Y, Gd) account for the results of the conductivity measurements and different spin ordering models of (II) provide conclusive hints about its magnetic structure. As a result, chemical bonding analyses of both compounds indicate that the vast majority of bonding originates from the heteroatomic Au–Gd and Au–Sn interactions, while homoatomic Au–Au bonding is evident within the Au@Au6 clusters.

  19. Voyager 2 observations of plasmas and flows out to 104 AU

    SciTech Connect (OSTI)

    Richardson, J. D.; Decker, R. B. E-mail: robert.decker@apljhu.edu

    2014-09-10

    Voyager 2 has crossed through 20 AU of the heliosheath; assuming the same heliosheath thickness as at Voyager 1, it is now two-thirds of the way to the heliopause. The plasma data are generally of good quality, although the increasing flow angle of the plasma makes analysis more difficult. The average plasma speed has remained constant but the flow angles have increased to almost 60 in the RT plane and to almost 30 in the RN plane. The average density and thermal speed have been constant since a density increase observed in 2011. Comparison of V2 plasma flows derived from plasma science experiment (PLS) data and Low Energy Charged Particle (LECP) proton anisotropies give good agreement except when heavy ion contributions or non-convective proton anisotropies are observed in the LECP data.

  20. Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface

    SciTech Connect (OSTI)

    Liu, Tianhui; Fu, Bina; Zhang, Dong H.

    2013-11-14

    The six-dimensional quantum dynamics calculations for the dissociative chemisorption of HCl on Au(111) are carried out using the time-dependent wave-packet approach, based on an accurate PES which was recently developed by neural network fitting to density functional theory energy points. The influence of vibrational excitation and rotational orientation of HCl on the reactivity is investigated by calculating the exact six-dimensional dissociation probabilities, as well as the four-dimensional fixed-site dissociation probabilities. The vibrational excitation of HCl enhances the reactivity and the helicopter orientation yields higher dissociation probability than the cartwheel orientation. A new interesting site-averaged effect is found for the title molecule-surface system that one can essentially reproduce the six-dimensional dissociation probability by averaging the four-dimensional dissociation probabilities over 25 fixed sites.

  1. Assembly/Disassembly of DNA-Au Nanoparticles: A Strategy of Intervention

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lim, I-Im S.; Wang, Lingyan; Chandrachud, Uma; Gal, Susannah; Zhong, Chuan-Jian

    2008-01-01

    This report describes the viability of a strategy for manipulating the assembly/disassembly processes of DNA-Au nanoparticles by molecular intervention. Using the temperature-induced assembly and disassembly processes of DNAs and gold nanoparticles as a model system, the introduction of a molecular recognition probe is demonstrated to lead to the intervention of the assembly/disassembly processes depending on its specific biorecognition. This process can be detected by monitoring the change in the optical properties of gold nanoparticles and their DNA assemblies. Implications of the preliminary results to exploration of the resulting nanostructures for fine-tuning of the interfacial reactivities in DNA-based bioassays and biomaterialmore » engineering are also discussed.« less

  2. Random telegraph signals by alkanethiol-protected Au nanoparticles in chemically assembled single-electron transistors

    SciTech Connect (OSTI)

    Kano, Shinya; Azuma, Yasuo; Tanaka, Daisuke; Sakamoto, Masanori; Teranishi, Toshiharu; Smith, Luke W.; Smith, Charles G.; Majima, Yutaka

    2013-12-14

    We have studied random telegraph signals (RTSs) in a chemically assembled single-electron transistor (SET) at temperatures as low as 300 mK. The RTSs in the chemically assembled SET were investigated by measuring the sourcedrain current, using a histogram of the RTS dwell time, and calculating the power spectrum density of the drain currenttime characteristics. It was found that the dwell time of the RTS was dependent on the drain voltage of the SET, but was independent of the gate voltage. Considering the spatial structure of the chemically assembled SET, the origin of the RTS is attributed to the trapped charges on an alkanethiol-protected Au nanoparticle positioned near the SET. These results are important as they will help to realize stable chemically assembled SETs in practical applications.

  3. Exploring the activity of a novel Au/TiC(001) model catalyst towards CO and CO2 hydrogenation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Asara, Gian Giacomo; Ricart, Josep M.; Rodriguez, Jose A.; Illas, Francesc

    2015-02-02

    Small metallic nanoparticles supported on transition metal carbides exhibit an unexpected high activity towards a series of chemical reactions. In particular, the Au/TiC system has proven to be an excellent catalyst for SO2 decomposition, thiophene hydrodesulfurization, O2 and H2 dissociation and the water gas shift reaction. Recent studies have shown that Au/TiC is a very good catalyst for the reverse water–gas shift (CO2 + H2 → CO + H2O) and CO2 hydrogenation to methanol. The present work further expands the range of applicability of this novel type of systems by exploring the catalytic activity of Au/TiC towards the hydrogenation ofmore » CO or CO2 with periodic density functional theory (DFT) calculations on model systems. Hydrogen dissociates easily on Au/TiC but direct hydrogenation of CO to methanol is hindered by very high activation barriers implying that, on this model catalyst, methanol production from CO2 involves the hydrogenation of a HOCO-like intermediate. Thus, when dealing with mixtures of syngas (CO/CO2/H2/H2O), CO could be transformed into CO2 through the water gas shift reaction with subsequent hydrogenation of CO2 to methanol.« less

  4. Interstaple Dithiol Cross-Linking in Au(25)(SR)(18) Nanomolecules: A Combined Mass Spectrometric and Computational Study

    SciTech Connect (OSTI)

    Jiang, Deen; Dass, Amala; Tschumper, Gregory; Mattern, Daniell; Van Dornshuld, Eric; Kota, Rajesh; Jupally, Vijay

    2011-01-01

    A systematic study of cross-linking chemistry of the Au{sub 25}(SR){sub 18} nanomolecule by dithiols of varying chain length, HS-(CH2)n-SH where n = 2, 3, 4, 5, and 6, is presented here. Monothiolated Au{sub 25} has six [RSAuSRAuSR] staple motifs on its surface, and MALDI mass spectrometry data of the ligand exchanged clusters show that propane (C3) and butane (C4) dithiols have ideal chain lengths for interstaple cross-linking and that up to six C3 or C4 dithiols can be facilely exchanged onto the cluster surface. Propanedithiol predominately exchanges with two monothiols at a time, making cross-linking bridges, while butanedithiol can exchange with either one or two monothiols at a time. The extent of cross-linking can be controlled by the Au{sub 25}(SR){sub 18} to dithiol ratio, the reaction time of ligand exchange, or the addition of a hydrophobic tail to the dithiol. MALDI MS suggests that during ethane (C2) dithiol exchange, two ethanedithiols become connected by a disulfide bond; this result is supported by density functional theory (DFT) prediction of the optimal chain length for the intrastaple coupling. Both optical absorption spectroscopy and DFT computations show that the electronic structure of the Au{sub 25} nanomolecule retains its main features after exchange of up to eight monothiol ligands.

  5. Inter-staple Dithiol Crosslinking in Au25(SR)18 Nanomolecules: A Combined Mass Spectrometric and Computational Study

    SciTech Connect (OSTI)

    Dass, Amala; Jiang, Deen; Jupally, Vijay; Kota, Rajesh; Mattern, Daniell; Tschumper, Gregory; Van Dornshuld, Eric

    2011-01-01

    A systematic study of cross-linking chemistry of the Au{sub 25}(SR){sub 18} nanomolecule by dithiols of varying chain length, HS-(CH{sub 2}){sub n}-SH where n = 2, 3, 4, 5, and 6, is presented here. Monothiolated Au{sub 25} has six [RSAuSRAuSR] staple motifs on its surface, and MALDI mass spectrometry data of the ligand exchanged clusters show that propane (C3) and butane (C4) dithiols have ideal chain lengths for interstaple cross-linking and that up to six C3 or C4 dithiols can be facilely exchanged onto the cluster surface. Propanedithiol predominately exchanges with two monothiols at a time, making cross-linking bridges, while butanedithiol can exchange with either one or two monothiols at a time. The extent of cross-linking can be controlled by the Au{sub 25}(SR){sub 18} to dithiol ratio, the reaction time of ligand exchange, or the addition of a hydrophobic tail to the dithiol. MALDI MS suggests that during ethane (C2) dithiol exchange, two ethanedithiols become connected by a disulfide bond; this result is supported by density functional theory (DFT) prediction of the optimal chain length for the intrastaple coupling. Both optical absorption spectroscopy and DFT computations show that the electronic structure of the Au{sub 25} nanomolecule retains its main features after exchange of up to eight monothiol ligands.

  6. MAKE SUPER-EARTHS, NOT JUPITERS: ACCRETING NEBULAR GAS ONTO SOLID CORES AT 0.1AU AND BEYOND

    SciTech Connect (OSTI)

    Lee, Eve J.; Chiang, Eugene; Ormel, Chris W. E-mail: echiang@astro.berkeley.edu

    2014-12-20

    Close-in super-Earths having radii 1-4 R {sub ?} may possess hydrogen atmospheres comprising a few percent by mass of their rocky cores. We determine the conditions under which such atmospheres can be accreted by cores from their parent circumstellar disks. Accretion from the nebula is problematic because it is too efficient: we find that 10 M {sub ?} cores embedded in solar metallicity disks tend to undergo runaway gas accretion and explode into Jupiters, irrespective of orbital location. The threat of runaway is especially dire at ?0.1AU, where solids may coagulate on timescales orders of magnitude shorter than gas clearing times; thus nascent atmospheres on close-in orbits are unlikely to be supported against collapse by planetesimal accretion. The time to runaway accretion is well approximated by the cooling time of the atmosphere's innermost convective zone, whose extent is controlled by where H{sub 2} dissociates. Insofar as the temperatures characterizing H{sub 2} dissociation are universal, timescales for core instability tend not to vary with orbital distanceand to be alarmingly short for 10 M {sub ?} cores. Nevertheless, in the thicket of parameter space, we identify two scenarios, not mutually exclusive, that can reproduce the preponderance of percent-by-mass atmospheres for super-Earths at ?0.1AU, while still ensuring the formation of Jupiters at ? 1AU. Scenario (a): planets form in disks with dust-to-gas ratios that range from ?20 solar at 0.1AU to ?2 solar at 5AU. Scenario (b): the final assembly of super-Earth cores from mergers of proto-coresa process that completes quickly at ?0.1AU once begunis delayed by gas dynamical friction until just before disk gas dissipates completely. Both scenarios predict that the occurrence rate for super-Earths versus orbital distance, and the corresponding rate for Jupiters, should trend in opposite directions, as the former population is transformed into the latter: as gas giants become more frequent from ?1 to 10AU, super-Earths should become more rare.

  7. Electronegativity calculation of bulk modulus and band gap of ternary ZnO-based alloys

    SciTech Connect (OSTI)

    Li, Keyan; Kang, Congying [State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China)] [State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China); Xue, Dongfeng, E-mail: dongfeng@ciac.jl.cn [State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China) [State Key Laboratory of Fine Chemicals, School of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China); State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022 (China)

    2012-10-15

    In this work, the bulk moduli and band gaps of M{sub x}Zn{sub 1?x}O (M = Be, Mg, Ca, Cd) alloys in the whole composition range were quantitatively calculated by using the electronegativity-related models for bulk modulus and band gap, respectively. We found that the change trends of bulk modulus and band gap with an increase of M concentration x are same for Be{sub x}Zn{sub 1?x}O and Cd{sub x}Zn{sub 1?x}O, while the change trends are reverse for Mg{sub x}Zn{sub 1?x}O and Ca{sub x}Zn{sub 1?x}O. It was revealed that the bulk modulus is related to the valence electron density of atoms whereas the band gap is strongly influenced by the detailed chemical bonding behaviors of constituent atoms. The current work provides us a useful guide to compositionally design advanced alloy materials with both good mechanical and optoelectronic properties.

  8. Defects in paramagnetic Co-doped ZnO films studied by transmission electron microscopy

    SciTech Connect (OSTI)

    Kovcs, A.; Duchamp, M.; Boothroyd, C. B.; Dunin-Borkowski, R. E.; Ney, A.; Ney, V.; Galindo, P. L.; Kaspar, T. C.; Chambers, S. A.

    2013-12-28

    We study planar defects in epitaxial Co:ZnO dilute magnetic semiconductor thin films deposited on c-plane sapphire (Al{sub 2}O{sub 3}), as well as the Co:ZnO/Al{sub 2}O{sub 3} interface, using aberration-corrected transmission electron microscopy and electron energy-loss spectroscopy. Co:ZnO samples that were deposited using pulsed laser deposition and reactive magnetron sputtering are both found to contain extrinsic stacking faults, incoherent interface structures, and compositional variations within the first 34 Co:ZnO layers next to the Al{sub 2}O{sub 3} substrate. The stacking fault density is in the range of 10{sup 17} cm{sup ?3}. We also measure the local lattice distortions around the stacking faults. It is shown that despite the relatively high density of planar defects, lattice distortions, and small compositional variation, the Co:ZnO films retain paramagnetic properties.

  9. Synthesis and Characterization of Photocatalytic TiO 2 -ZnFe 2 O 4 Nanoparticles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Srinivasan, Sesha S.; Wade, Jeremy; Stefanakos, Elias K.

    2006-01-01

    A new coprecipimore » tation/hydrolysis synthesis route is used to create a TiO 2 -ZnFe 2 O 4 nanocomposite that is directed towards extending the photoresponse of TiO 2 from UV to visible wavelengths ( > 400   nm ). The effect of TiO 2 's accelerated anatase-rutile phase transformation due to the presence of the coupled ZnFe 2 O 4 narrow-bandgap semiconductor is evaluated. The transformation's dependence on pH, calcinations temperature, particle size, and ZnFe 2 O 4 concentration has been analyzed using XRD, SEM, and UV-visible spectrometry. The requirements for retaining the highly photoactive anatase phase present in a ZnFe 2 O 4 nanocomposite are outlined. The visible-light-activated photocatalytic activity of the TiO 2 -ZnFe 2 O 4 nanocomposites has been compared to an Aldrich TiO 2 reference catalyst, using a solar-simulated photoreactor for the degradation of phenol.« less

  10. Electroluminescence from ZnO/Si heterojunctions fabricated by PLD with bias voltage application

    SciTech Connect (OSTI)

    Seno, Yuuki; Konno, Daisuke; Komiyama, Takao; Chonan, Yasunori; Yamaguchi, Hiroyuki; Aoyama, Takashi

    2014-02-21

    Electroluminescence (EL) for ZnO films has been investigated by fabricating n-ZnO/p-Si heterojunctions and changing the VI/II (O/Zn) ratio of the films. In the photoluminescence (PL) spectra, both the near band edge (NBE) emission and the defect-related emission were observed, while in the EL spectra only defect-related emission was observed. The EL spectra were divided into three components: green (550 nm), yellow (618 nm) and red (700 nm) bands; and their intensities were compared. As the VI/II (O/Zn) ratio was increased, the red band emission intensity decreased and the green band emission intensity increased. This implies that the oxygen and the zinc vacancies are related to the red and the green band emissions, respectively. Electron transitions from the conduction band minimum (Ec) to the deep energy levels of these vacancies are suggested to cause the red and the green luminescences while the energy levels of the Zn interstitials are close to the Ec in the band gap and no NBE emission is observed.

  11. Synthesis and Characterization of PhotocatalyticTiO2-ZnFe2O4Nanoparticles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Srinivasan, Sesha S.; Wade, Jeremy; Stefanakos, Elias K.

    2006-01-01

    A new coprecipitation/hydrolysis synthesis route is used to create aTiO2-ZnFe2O4nanocomposite that is directed towards extending the photoresponse ofTiO2from UV to visible wavelengths (>400?nm). The effect ofTiO2's accelerated anatase-rutile phase transformation due to the presence of the coupledZnFe2O4narrow-bandgap semiconductor is evaluated. The transformation's dependence on pH, calcinations temperature, particle size, andZnFe2O4concentration has been analyzed using XRD, SEM, and UV-visible spectrometry. The requirements for retaining the highly photoactive anatase phase present in aZnFe2O4nanocomposite are outlined. The visible-light-activated photocatalytic activity of theTiO2-ZnFe2O4nanocomposites has been compared to an AldrichTiO2reference catalyst, using a solar-simulated photoreactor formorethe degradation of phenol.less

  12. Nanoscale Au-In alloy-oxide core-shell particles as electrocatalysts for efficient hydroquinone detection

    SciTech Connect (OSTI)

    Sutter, E.; Tong, X.; Medina-Plaza, C.; Rodriguez-Mendez, M. L.; Sutter, P.

    2015-10-09

    The presence of hydroquinone (HQ), a phenol ubiquitous in nature and widely used in industry, needs to be monitored because of its toxicity to the environment. Here we demonstrate efficient detection of HQ using simple, fast, and noninvasive electrochemical measurements on indium tin oxide (ITO) electrodes modified with nanoparticles comprising bimetallic Au–In cores and mixed Au–In oxide shells. Whereas bare ITO electrodes show very low activity for the detection of HQ, their modification with Au–In core–shell nanoparticles induces a pronounced shift of the oxidation peak to lower potentials, i.e., facilitated oxidation. The response of the different electrodes was correlated with the initial composition of the bimetallic nanoparticle cores, which in turn determined the amount of Au and In stabilized on the surface of the amorphous Au–In oxide shells available for the electrochemical reaction. While adding core–shell nanostructures with different compositions of the alloy core facilitates the electrocatalytic (reduction-) oxidation of HQ, the activity is highest for particles with AuIn cores (i.e., a Au:In ratio of 1). This optimal system is found to follow a single pathway, the two-electron oxidation of the quinone–hydroquinone couple, which gives rise to high oxidation peaks and is most effective in facilitating the electrode-to-analyte charge transfer and thus detection. The limits of detection (LOD) decreased when increasing the amount of Au exposed on the surface of the amorphous Au–In oxide shells. As a result the LODs were in the range of 10–5 – 10–6 M and were lower than those obtained using bulk Au.

  13. Nanoscale Au-In alloy-oxide core-shell particles as electrocatalysts for efficient hydroquinone detection

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sutter, E.; Tong, X.; Medina-Plaza, C.; Rodriguez-Mendez, M. L.; Sutter, P.

    2015-10-09

    The presence of hydroquinone (HQ), a phenol ubiquitous in nature and widely used in industry, needs to be monitored because of its toxicity to the environment. Here we demonstrate efficient detection of HQ using simple, fast, and noninvasive electrochemical measurements on indium tin oxide (ITO) electrodes modified with nanoparticles comprising bimetallic Au–In cores and mixed Au–In oxide shells. Whereas bare ITO electrodes show very low activity for the detection of HQ, their modification with Au–In core–shell nanoparticles induces a pronounced shift of the oxidation peak to lower potentials, i.e., facilitated oxidation. The response of the different electrodes was correlated withmore » the initial composition of the bimetallic nanoparticle cores, which in turn determined the amount of Au and In stabilized on the surface of the amorphous Au–In oxide shells available for the electrochemical reaction. While adding core–shell nanostructures with different compositions of the alloy core facilitates the electrocatalytic (reduction-) oxidation of HQ, the activity is highest for particles with AuIn cores (i.e., a Au:In ratio of 1). This optimal system is found to follow a single pathway, the two-electron oxidation of the quinone–hydroquinone couple, which gives rise to high oxidation peaks and is most effective in facilitating the electrode-to-analyte charge transfer and thus detection. The limits of detection (LOD) decreased when increasing the amount of Au exposed on the surface of the amorphous Au–In oxide shells. As a result the LODs were in the range of 10–5 – 10–6 M and were lower than those obtained using bulk Au.« less

  14. A Novel and Functional Single Layer Sheet of ZnSe

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhou, Jia; Sumpter, Bobby G; Kent, Paul R; Huang, Jingsong

    2015-01-01

    In this Communication, we report a novel singlelayer sheet of ZnSe, with a three-atomic thickness, which demonstrates a strong quantum confinement effect by exhibiting a large blue shift of 2.0 eV in its absorption edge relative to the zinc blende (ZB) bulk phase. Theoretical optical absorbance shows that the largest absorption of this ultrathin single-layer sheet of ZnSe occurs at a wavelength similar to its four-atom-thick doublelayer counterpart but with higher photoabsorption efficiency, suggesting a superior behavior on incident photon-to-current conversion efficiency for solar water splitting, among other potential applications. The results presented herein for ZnSe may be generalized tomore » other group II-VI analogues.« less

  15. Band alignment and interfacial structure of ZnO/Si heterojunction with

    Office of Scientific and Technical Information (OSTI)

    Al{sub 2}O{sub 3} and HfO{sub 2} as interlayers (Journal Article) | SciTech Connect Band alignment and interfacial structure of ZnO/Si heterojunction with Al{sub 2}O{sub 3} and HfO{sub 2} as interlayers Citation Details In-Document Search Title: Band alignment and interfacial structure of ZnO/Si heterojunction with Al{sub 2}O{sub 3} and HfO{sub 2} as interlayers Energy band alignment of ZnO/Si heterojunction with thin interlayers Al{sub 2}O{sub 3} and HfO{sub 2} grown by atomic layer

  16. Effect of Fe doping concentration on photocatalytic activity of ZnO nanosheets under natural sunlight

    SciTech Connect (OSTI)

    Khokhra, Richa; Kumar, Rajesh

    2015-05-15

    A facile room temperature, aqueous solution-based chemical method has been adopted for large-scale synthesis of Fe doped ZnO nanosheets. The XRD and SEM results reveal the as-synthesized products well crystalline and accumulated by large amount of interweave nanosheets, respectively. Energy dispersive spectroscopy data confirmed Fe doping of the ZnO nanosheets with a varying Fe concentration. The photoluminescence spectrum reveals a continuous suppression of defect related emissions intensity by increasing the concentration of the Fe ion. A photocatalytic activity using these samples under sunlight irradiation in the mineralization of methylene blue dye was investigated. The photocatalytic activity of Fe doped ZnO nanosheets depends upon the presence of surface oxygen vacancies.

  17. Structural analysis of Cr aggregation in ferromagnetic semiconductor (Zn,Cr)Te

    SciTech Connect (OSTI)

    Kobayashi, H.; Yamawaki, K.; Nishio, Y.; Kanazawa, K.; Kuroda, S.; Mitome, M.; Bando, Y.

    2013-12-04

    The Cr aggregation in a ferromagnetic semiconductor (Zn,Cr)Te was studied by performing precise analyses using TEM and XRD of microscopic structure of the Cr-aggregated regions formed in iodine-doped Zn{sub 1?x}Cr{sub x}Te films with a relatively high Cr composition x ? 0.2. It was found that the Cr-aggregated regions are composed of Cr{sub 1??}Te nanocrystals of the hexagonal structure and these hexagonal precipitates are stacked preferentially on the (111)A plane of the zinc-blende (ZB) structure of the host ZnTe crystal with its c-axis nearly parallel to the (111){sub ZB} plane.

  18. ZnO/Ag composite nanorod arrays for surface-plasmon-enhanced emission study

    SciTech Connect (OSTI)

    Pal, Anil Kumar E-mail: d.bharathimohan@gmail.com; Mohan, D. Bharathi E-mail: d.bharathimohan@gmail.com

    2014-04-24

    The surface plasmon resonance enhanced emission through coupling of surface plasmons and exciton band energies is studied in hybrid ZnO/Ag nanostructure. The catalytic growth of ZnO nanorods is controlled in seed mediated growth by altering size distribution of Ag nanoislands. X-ray diffraction shows a predominant (002) crystal plane confirming the preferential growth of ZnO nanorods on as-deposited Ag. Increase of surface roughness in Ag film by post deposition annealing process enhances the light emission due to momentum matching between surface plasmons and excitons as well as a red shift of 32 meV occurs due to multi phonon and phonon-exciton interaction.

  19. Homojunction p-n photodiodes based on As-doped single ZnO nanowire

    SciTech Connect (OSTI)

    Cho, H. D.; Zakirov, A. S.; Yuldashev, Sh. U.; Kang, T. W.; Ahn, C. W.; Yeo, Y. K.

    2013-12-04

    Photovoltaic device was successfully grown solely based on the single ZnO p-n homojunction nanowire. The ZnO nanowire p-n diode consists of an as-grown n-type segment and an in-situ arsenic doped p-type segment. This p-n homojunction acts as a good photovoltaic cell, producing a photocurrent almost 45 times larger than the dark current under reverse-biased condition. Our results demonstrate that present ZnO p-n homojunction nanowire can be used as a self-powered ultraviolet photodetector as well as a photovoltaic cell, which can also be used as an ultralow electrical power source for nano-scale electronic, optoelectronic, and medical devices.

  20. Luminescence of CdSe/ZnS quantum dots infiltrated into an opal matrix

    SciTech Connect (OSTI)

    Gruzintsev, A. N. Emelchenko, G. A.; Masalov, V. M.; Yakimov, E. E.; Barthou, C.; Maitre, A.

    2009-02-15

    The effect of the photonic band gap in the photonic crystal, the synthesized SiO{sub 2} opal with embedded CdSe/ZnS quantum dots, on its luminescence in the visible spectral region is studied. It is shown that the position of the photonic band gap in the luminescence and reflectance spectra for the infiltrated opal depends on the diameter of the constituent nanospheres and on the angle of recording the signal. The optimal conditions for embedding the CdSe/ZnS quantum dots from the solution into the opal matrix are determined. It is found that, for the opal-CdSe/ZnS nanocomposites, the emission intensity decreases and the luminescence decay time increases in the spatial directions, in which the spectral positions of the photonic band gap and the luminescence peak of the quantum dots coincide.

  1. Study of difference in interfacial reaction at Fe{sub 3}O{sub 4}/ZnO and ZnO/Fe{sub 3}O{sub 4} heterostructure using synchrotron radiation

    SciTech Connect (OSTI)

    Wadikar, A. D. Master, Ridhi Choudhary, R. J. Phase, D. M.

    2014-04-24

    We have prepared Fe{sub 3}O{sub 4}/ZnO and ZnO/Fe{sub 3}O{sub 4} bilayer structure on p-Si substrate using pulsed laser deposition technique (PLD). X-ray diffraction study revealed (0001) oriented growth of ZnO and (111) oriented growth of Fe{sub 3}O{sub 4} in both the bilayer structure. We observed a change in the density of states near the Fermi level in valence band spectra in case of Fe{sub 3}O{sub 4}/ZnO bilayer when compared to that of ZnO/Fe{sub 3}O{sub 4}. Nonlinear current–voltage (I-V) characteristics were observed in both the samples confirmed that these bilayer structures can be used for spintronic application.

  2. ZnO Nanorod Thermoplastic Polyurethane Nanocomposites: Morphology and Shape Memory Performance

    SciTech Connect (OSTI)

    Koerner, H.; Kelley, J; George, J; Drummy, L; Mirau, P; Bell, N; Hsu, J; Vaia, R

    2009-01-01

    The impact of dispersed alkylthiol-modified ZnO nanorods, as a function of rod aspect ratio and concentration, on the shape memory character of a thermoplastic polyurethane with low hard-segment density (LHS-TPU) is examined relative to the enhanced performance occurring for carbon nanofiber (CNF) dispersion. Solution blending resulted in uniform dispersion within the LHS-TPU of the ZnO nanorods at low volume (weight) fractions (<2.9% v/v (17.75% w/w)). Tensile modulus enhancements were modest though, comparable to values observed for spherical nanofillers. Shape memory characteristics, which in this LHS-TPU result when strain-induced crystallites retard the entropic recovery of the deformed chains, were unchanged for these low volume fraction ZnO nanocomposites. Higher ZnO loadings (12% v/v (50% w/w)) exhibited clustering of ZnO nanorods into a mesh-like structure. Here, tensile modulus and shape recovery characteristics were improved, although not as great as seen for comparable CNF addition. Wide angle X-ray diffraction and NMR revealed that the addition of ZnO nanorods did not impact the inherent strain induced crystallization of the LHS-TPU, which is in contrast to the impact of CNFs and emphasizes the impact of interactions at the polymer-nanoparticle interface. Overall, these findings reinforce the hypothesis that the shape memory properties of polymer nanocomposites are governed by the extent to which nanoparticle addition, via nanoparticle aspect ratio, hierarchical morphology, and interfacial interactions, impacts the molecular mechanism responsible for trapping elastic strain.

  3. Surface Modification of ZnO Using Triethoxysilane-Based Molecules

    SciTech Connect (OSTI)

    Allen, C. G.; Baker, D. J.; Albin, J. M.; Oertli, H. E.; Gillaspie, D. T.; Olson, D. C.; Furtak, T. E.; Collins, R. T.

    2008-12-01

    Zinc oxide (ZnO) is an important material for hybrid inorganic-organic devices in which the characteristics of the interface can dominate both the structural and electronic properties of the system. These characteristics can be modified through chemical functionalization of the ZnO surface. One of the possible strategies involves covalent bonding of the modifier using silane chemistry. Whereas a significant body of work has been published regarding silane attachments to glass and SiO{sub 2}, there is less information about the efficacy of this method for controlling the surface of metal oxides. Here we report our investigation of molecular layers attached to polycrystalline ZnO through silane bonding, controlled by an amine catalyst. The catalyst enables us to use triethoxysilane precursors and thereby avoid undesirable multilayer formation. The polycrystalline surface is a practical material, grown by sol-gel processing, that is under active exploration for device applications. Our study included terminations with alkyl and phenyl groups. We used water contact angles, infrared spectroscopy, and X-ray photoemission spectroscopy to evaluate the modified surfaces. Alkyltriethoxysilane functionalization of ZnO produced molecular layers with submonolayer coverage and evidence of disorder. Nevertheless, a very stable hydrophobic surface with contact angles approaching 106{sup o} resulted. Phenyltriethoxysilane was found to deposit in a similar manner. The resulting surface, however, exhibited significantly different wetting as a result of the nature of the end group. Molecular layers of this type, with a variety of surface terminations that use the same molecular attachment scheme, should enable interface engineering that optimizes the chemical selectivity of ZnO biosensors or the charge-transfer properties of ZnO-polymer interfaces found in oxide-organic electronics.

  4. Characteristics of ZnO nanostructures produced with [DMIm]BF{sub 4} using ultrasonic radiation

    SciTech Connect (OSTI)

    Rahman, I. B. Abdul; Ayob, M. T. M.; Ishak, I. S.; Mohd Lawi, R. L.; Isahak, W. N. R. W.; Hamid, M. H. N. Abd; Othman, N. K.; Radiman, S.

    2012-11-27

    Great interests in metallic oxides have emerged because of the promising properties of these materials for various applications such as solar cells and sensors. ZnO nanostructures with different morphologies were successfully synthesized from Zn(CH{sub 3}COO){sub 2} Bullet 2H{sub 2}O, NaOH and room temperature ionic liquid (RTIL) 1-decyl-3-methylimidazolium tetrafluoroborate, [DMIm][BF{sub 4}] with ultrasound irradiation. Parameters such as the effect of sonication time (30, 60 and 90 minutes) and Zn(Ac){sub 2} precursor to [DMIm][BF{sub 4}] ratios of 3:5, 5:5 and 5:3 were investigated. X-ray diffraction patterns revealed that the ZnO nanocrystals were hexagonal zincite crystalline in structure. The band gap energies (E{sub g}) were estimated to be 3.35-3.55 eV from the UV-Visible spectrum. The solution with the highest ratio of Zn was analysed with photoluminescence spectroscopy, which exhibited peaks at 362, 403, 468 and 539 nm, at room temperature. The micrographs of field emission scanning electron microscopy and transmission electron microscopy showed that the synthesis products were spherical (30-60 nm), spindle ({approx}10 Multiplication-Sign 70 nm for width Multiplication-Sign length) and whisker-like (100-200 nm), with their dimensions decreasing systematically with increased sonication time. Chemical compositions were approximated at 1:1 for Zn and O, estimated by electron dispersive x-ray spectrum.

  5. Thermoelectric Properties of Au- Containing Type-I Clathrates Ba8AuxGa16-3xGe30+2x

    SciTech Connect (OSTI)

    Ye, Zuxin; Cho, Jung Young; Tessema, Misle M.; Salvador, James R.; Waldo, Richard A.; Yang, Jihui; Wang, Hsin; Cai, Wei; Kirkham, Melanie J; Yang, Jiong; Zhang, Wenqing

    2014-01-01

    Type I clathrates, with compositions based on Ba8Ga16Ge30, are a class of promising thermoelectric materials due to their intrinsically low thermal conductivity. It has been demonstrated previously that the thermoelectric performance can be improved by transition metal substitution of the framework atoms. In this study, the effects of Au substitution for Ga/Ge on thermal and electrical transport properties of type I clathrate compounds have been investigated. Polycrystalline samples with a large range of Au content have been synthesized using conventional solid state techniques with the actual compositions of resulting materials approximately following Zintl-Klemm rules. The charge carrier type changes from electrons (n) to holes (p) as the Au content increases. The Seebeck coefficient (S) and power factor (S2/ where is the electrical resistivity) were improved by Au substitution and the resulting overall thermoelectric properties were enhanced by Au substitution with a thermoelectric figure of merit ZT ~ 0.63 at temperature T = 740 K for the composition Ba8Au5.47Ge39.96. The results presented herein show that Au-containing type I clathrates are promising p-type thermoelectric materials for high temperature applications.

  6. Nanochannel-Directed Growth of One-Dimensional Multi-Segment Heterojunctions of Metallic Au1-xGex and Semiconducting Ge

    SciTech Connect (OSTI)

    Li, Xiangdong; Meng, Guowen; Qin, Shengyong; Xu, Qiaoling; Chu, Zhaoqin; Zhu, Xiaoguang; Kong, Mingguang; Li, An-Ping

    2012-01-01

    We report on the synthesis of multi-segment nanowire (NW) junctions of Au{sub 1-x}Ge{sub x} and Ge inside the nanochannels of porous anodic aluminum oxide template. The one-dimensional heterostructures are grown with a low-temperature chemical vapor deposition process, assisted by electrodeposited Au nanowires (AuNWs). The Au-catalyzed vapor-liquid-solid growth process occurs simultaneously in multiple locations along the nanochannel, which leads to multi-segment Au{sub 1-x}Ge{sub x}/Ge heterojunctions. The structures of the as-grown hybrid NWs, analyzed by using transmission electron microscopy and energy-dispersive X-ray spectroscopy elemental mapping, show clear compositional modulation with variable modulation period and controllable junction numbers. Remarkably, both GeNW and Au{sub 1-x}Ge{sub x}NW segments are single crystalline with abrupt interfaces and good crystallographic coherences. The electronic and transport properties of individual NW junctions are measured by using a multi-probe scanning tunneling microscope, which confirms the semiconducting nature of Ge segments and the metallic behavior of Au{sub 1-x}Ge{sub x} segments, respectively. The high yield of multiple segment NW junctions of a metal-semiconductor can facilitate the applications in nanoelectronics and optoelectronics that harness multiple functionalities of heterointerfaces.

  7. Study of Even-Even/Odd-Even/Odd-Odd Nuclei in Zn-Ga-Ge Region in the Proton-Neutron IBM/IBFM/IBFFM

    SciTech Connect (OSTI)

    Yoshida, N.; Brant, S.; Zuffi, L.

    2009-08-26

    We study the even-even, odd-even and odd-odd nuclei in the region including Zn-Ga-Ge in the proton-neutron IBM and the models derived from it: IBM2, IBFM2, IBFFM2. We describe {sup 67}Ga, {sup 65}Zn, and {sup 68}Ga by coupling odd particles to a boson core {sup 66}Zn. We also calculate the beta{sup +}-decay rates among {sup 68}Ge, {sup 68}Ga and {sup 68}Zn.

  8. The dependence of ZnO photoluminescence efficiency on excitation conditions and defect densities

    SciTech Connect (OSTI)

    Simmons, Jay G.; Liu, Jie; Foreman, John V.; Everitt, Henry O.

    2013-11-11

    The quantum efficiencies of both the band edge and deep-level defect emission from annealed ZnO powders were measured as a function of excitation fluence and wavelength from a tunable sub-picosecond source. A simple model of excitonic decay reproduces the observed excitation dependence of rate constants and associated trap densities for all radiative and nonradiative processes. The analysis explores how phosphor performance deteriorates as excitation fluence and energy increase, provides an all-optical approach for estimating the number density of defects responsible for deep-level emission, and yields new insights for designing efficient ZnO-based phosphors.

  9. Preparation and characterization of nanodiamond cores coated with a thin Ni-Zn-P alloy film

    SciTech Connect (OSTI)

    Wang Rui; Ye Weichun; Ma Chuanli; Wang Chunming

    2008-02-15

    Nanodiamond cores coated with a thin Ni-Zn-P alloy film were prepared by an electroless deposition method under the conditions of tin chloride sensitization and palladium chloride activation. The prepared materials were analyzed by Fourier transform infrared (FTIR) spectrometry and X-ray diffraction (XRD). The nanostructure of the materials was then characterized by transmission electron microscopy (TEM). The alloy film composition was characterized by Energy Dispersive X-ray (EDX) analysis. The results indicated the approximate composition 49.84%Ni-37.29%Zn-12.88%P was obtained.

  10. New tetragonal derivatives of cubic NaZn{sub 13}-type structure: RNi{sub

    Office of Scientific and Technical Information (OSTI)

    6}Si{sub 6} compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd-Yb) (Journal Article) | SciTech Connect New tetragonal derivatives of cubic NaZn{sub 13}-type structure: RNi{sub 6}Si{sub 6} compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd-Yb) Citation Details In-Document Search Title: New tetragonal derivatives of cubic NaZn{sub 13}-type structure: RNi{sub 6}Si{sub 6} compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd-Yb) Novel

  11. Hierarchical ZnO Structures Templated with Amino Acid Based Surfactants

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Hierarchical ZnO Structures Templated with Amino Acid Based Surfactants Citation Details In-Document Search Title: Hierarchical ZnO Structures Templated with Amino Acid Based Surfactants Authors: Kim, S H ; Satcher, J H ; Han, T Y Publication Date: 2011-05-27 OSTI Identifier: 1184130 Report Number(s): LLNL-JRNL-485258 DOE Contract Number: DE-AC52-07NA27344 Resource Type: Journal Article Resource Relation: Journal Name: Microporous and Mesoporous Materials,

  12. Discovery of a ternary pseudobrookite phase in the earth-abundant TiZnO

    Office of Scientific and Technical Information (OSTI)

    system (Journal Article) | SciTech Connect Discovery of a ternary pseudobrookite phase in the earth-abundant TiZnO system Citation Details In-Document Search Title: Discovery of a ternary pseudobrookite phase in the earth-abundant TiZnO system Authors: Perry, Nicola H. ; Stevanovic, Vladan ; Lime, Linda Y. ; Mason, Thomas O. [1] ; CSM) [2] ; NWU) [2] ; MIT) [2] + Show Author Affiliations Stanford ( Publication Date: 2016-02-11 OSTI Identifier: 1238274 Resource Type: Journal Article Resource

  13. Local structures of copper-doped ZnO films (Journal Article) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Local structures of copper-doped ZnO films Citation Details In-Document Search Title: Local structures of copper-doped ZnO films Authors: Ma, Q. ; Buchholz, D.B. ; Chang, R.P.H. [1] + Show Author Affiliations (NWU) Publication Date: 2015-02-19 OSTI Identifier: 1171223 Resource Type: Journal Article Resource Relation: Journal Name: Phys. Rev. B; Journal Volume: 78; Journal Issue: (21) ; 12, 2008 Research Org: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL

  14. Diameter Control and Photoluminescence of ZnO Nanorods from Trialkylamines

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Andelman, Tamar; Gong, Yinyan; Neumark, Gertrude; O'Brien, Stephen

    2007-01-01

    A novel solution method to control the diameter of ZnO nanorods is reported. Small diameter (2-3 nm) nanorods were synthesized from trihexylamine, and large diameter (50–80 nm) nanorods were synthesized by increasing the alkyl chain length to tridodecylamine. The defect (green) emission of the photoluminescence (PL) spectra of the nanorods varies with diameter, and can thus be controlled by the diameter control. The small ZnO nanorods have strong green emission, while the large diameter nanorods exhibit a remarkably suppressed green band. We show that this observation supports surface oxygen vacancies as the defect that gives rise to the green emission.

  15. Passivation of an isoelectronic impurity by atomic hydrogen: The case of ZnTe:O

    SciTech Connect (OSTI)

    Felici, Marco; Polimeni, Antonio; Capizzi, Mario; Nabetani, Y.; Okuno, T.; Aoki, K.; Kato, T.; Matsumoto, T.; Hirai, T.

    2006-03-06

    We investigated the optical properties of ZnTe:O/GaAs before and after atomic hydrogen irradiation. Oxygen incorporation gives rise to energy levels associated with single O atoms, O-O pairs, and O clusters, and to a blueshift of the energy gap of the material with respect to that of pure ZnTe/GaAs. All of these effects disappear progressively after irradiation with H, which also leads to an increase in the tensile strain of the epilayer. These observations provide experimental evidence of H-induced passivation of an isoelectronic impurity in II-VI alloys.

  16. Interaction of light with the ZnO surface: Photon induced oxygen breathing, oxygen vacancies, persistent photoconductivity, and persistent photovoltage

    SciTech Connect (OSTI)

    Gurwitz, Ron; Cohen, Rotem; Shalish, Ilan

    2014-01-21

    ZnO surfaces adsorb oxygen in the dark and emit CO{sub 2} when exposed to white light, reminiscent of the lungs of living creatures. We find that this exchange of oxygen with the ambient affects the integrity of the ZnO surface. Thus, it forms a basis for several interesting surface phenomena in ZnO, such as photoconductivity, photovoltage, and gas sensing, and has a role in ZnO electrical conduction. Using x-ray photoelectron spectroscopy on ZnO nanowires, we observed a decomposition of ZnO under white light and formation of oxygen-depleted surface, which explains photoconductivity by the electron donation of oxygen vacancies. Our findings suggest that the observed decomposition of the ZnO lattice may only take place due to photon-induced reduction of ZnO by carbon containing molecules (or carbo-photonic reduction), possibly from the ambient gas, accounting in a consistent way for both the reduced demands on the energy required for decomposition and for the observed emission of lattice oxygen in the form of CO{sub 2}. The formation of oxygen-vacancy rich surface is suggested to induce surface delta doping, causing accumulation of electrons at the surface, which accounts for both the increase in conductivity and the flattening of the energy bands. Using surface photovoltage spectroscopy in ultra high vacuum, we monitored changes in the deep level spectrum. We observe a wide optical transition from a deep acceptor to the conduction band, which energy position coincides with the position of the so called green luminescence in ZnO. This green transition disappears with the formation of surface oxygen vacancies. Since the oxygen vacancies are donors, while the green transition involves surface acceptors, the results suggest that the initial emission of oxygen originates at the defect sites of the latter, thereby eliminating each other. This suggests that the green transition originates at surface Zn vacancy acceptors. Removing an oxygen atom from a Zn vacancy completes the vacancy to become a full ZnO molecule vacancy, which does not produce deep levels. Our results explain why ZnO finds use as an electrical detector for oxygen and for carbon containing gas molecules. They may also shed new light on photocatalytic uses of ZnO. It is suggested that similar surface phenomena may affect other semiconducting oxides.

  17. Wide-bandgap high-mobility ZnO thin-film transistors produced at room temperature

    SciTech Connect (OSTI)

    Fortunato, Elvira M.C.; Barquinha, Pedro M.C.; Pimentel, Ana C.M.B.G.; Goncalves, Alexandra M.F.; Marques, Antonio J.S.; Martins, Rodrigo F.P.; Pereira, Luis M.N.

    2004-09-27

    We report high-performance ZnO thin-film transistor (ZnO-TFT) fabricated by rf magnetron sputtering at room temperature with a bottom gate configuration. The ZnO-TFT operates in the enhancement mode with a threshold voltage of 19 V, a saturation mobility of 27 cm{sup 2}/V s, a gate voltage swing of 1.39 V/decade and an on/off ratio of 3x10{sup 5}. The ZnO-TFT presents an average optical transmission (including the glass substrate) of 80% in the visible part of the spectrum. The combination of transparency, high mobility, and room-temperature processing makes the ZnO-TFT a very promising low-cost optoelectronic device for the next generation of invisible and flexible electronics.

  18. Effect of microwave irradiation on the resistance of Au-TiB{sub x}-Ge-Au-n-n{sup +}-n{sup ++}-GaAs(InP) ohmic contacts

    SciTech Connect (OSTI)

    Belyaev, A. E.; Sachenko, A. V.; Boltovets, N. S. Ivanov, V. N.; Konakova, R. V. Kudryk, Ya. Ya.; Matveeva, L. A.; Milenin, V. V.; Novitskii, S. V.; Sheremet, V. N.

    2012-04-15

    Temperature dependences of the contact resistivity {rho}{sub c} of Au-TiB{sub x}-Ge-Au-n-n{sup +}-n{sup ++}(GaAs)-InP ohmic contacts before and after short-term (10 s) microwave treatment have been studied both experimentally and theoretically. It is shown that {rho}{sub c} can decrease after microwave treatment in the entire temperature range of {rho}{sub c} measurements (100-400 K). Good agreement between the theoretical and experimental {rho}{sub c}(T) curves is attained and interpreted on the assumption that the dislocation density in the semiconductor near-surface region is varied as a result of microwave radiation.

  19. Significant in-medium {eta}{sup '} mass reduction in {radical}(s{sub NN}) = 200 GeV Au+Au collisions at the BNL Relativistic Heavy Ion Collider

    SciTech Connect (OSTI)

    Vertesi, R.; Sziklai, J.; Csoergo, T.

    2011-05-15

    In high-energy heavy ion collisions a hot and dense medium is formed, where the U{sub A}(1) or chiral symmetry may temporarily be restored. As a consequence, the mass of the {eta}{sup '}(958) mesons may be reduced to its quark model value, and the abundance of {eta}{sup '} mesons at low p{sub T} may be enhanced by more than a factor of 10. The intercept parameter {lambda}{sub *} of the charged pion Bose Einstein correlations provides a sensitive observable of the possibly enhanced {eta}{sup '} abundance. We have analyzed {lambda}{sub *}(m{sub T}) data from {radical}(s{sub N{sub N}})=200 GeV central Au+Au reactions measured at the BNL Relativistic Heavy Ion Collider (RHIC), using extensive Monte Carlo simulations based on six popular models for hadronic multiplicities. Based on the combined STAR and PHENIX data set, and on various systematic investigations of resonance multiplicities and model parameters, we conclude that in {radical}(s{sub N{sub N}})=200 GeV central Au+Au reactions the mass of the {eta}{sup '} meson is reduced by {Delta}m{sub {eta}}{sup '*}>200 MeV, at the 99.9% confidence level in the considered model class. Such a significant {eta}{sup '} mass modification may indicate the restoration of the U{sub A}(1) symmetry in a hot and dense hadronic matter and the return of the ninth ''prodigal'' Goldstone boson. A similar analysis of NA44 S+Pb data at top CERN Super Proton Synchroton (SPS) energies showed no significant in-medium {eta}{sup '} mass modification.

  20. Self-organization of S adatoms on Au(111): √3R30° rows at low coverage

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Walen, Holly; Liu, Da -Jiang; Oh, Junepyo; Lim, Hyunseob; Evans, J. W.; Kim, Yousoo; Thiel, P. A.

    2015-07-06

    Using scanning tunneling microscopy, we observe an adlayer structure that is dominated by short rows of S atoms, on unreconstructed regions of a Au(111) surface. This structure forms upon adsorption of low S coverage (less than 0.1 monolayer) on a fully reconstructed cleansurface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30° from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by √3 times the surface lattice constant, a. Monte Carlo simulations are performed on lattice-gas models, we derivedmore » using a limited cluster expansion based on density functional theory energetics. Furthermore, models which include long-range pairwise interactions (extending to 5a), plus selected trio interactions, successfully reproduce the linear rows of S atoms at reasonable temperatures.« less

  1. Magnetic switching behaviors of orbital states with different magnetic quantum numbers in Au/Fe/MgO multilayer system

    SciTech Connect (OSTI)

    Suzuki, Kosuke Takubo, Shota; Kato, Tadashi; Yamazoe, Masatoshi; Hoshi, Kazushi; Sakurai, Hiroshi; Homma, Yoshiya; Itou, Masayoshi; Sakurai, Yoshiharu

    2014-08-18

    A spin specific magnetic hysteresis (SSMH) curve and an orbital specific magnetic hysteresis (OSMH) curve are obtained for Fe/Au/Fe/MgO multilayers by magnetic Compton scattering and SQUID magnetometer measurements. The SSMH curve with each contribution of magnetic quantum number |m| = 0, 1, and 2 states is obtained by decomposition analyses of magnetic Compton profiles. Residual magnetization is observed for the SSMH curve with magnetic quantum number |m| = 0, 2 and the OSMH curve. Although the SQUID magnetometer measurements do not show perpendicular magnetic anisotropy (PMA) in the present Fe/Au/Fe/MgO multilayer film, the SSMH curve with magnetic quantum number |m| = 0, 2 and OSMH curve show switching behaviors of PMA.

  2. Surface plasmon dispersion engineering via double-metallic AU/AG layers for nitride light-emitting diodes

    DOE Patents [OSTI]

    Tansu, Nelson; Zhao, Hongping; Zhang, Jing; Liu, Guangyu

    2014-04-01

    A double-metallic deposition process is used whereby adjacent layers of different metals are deposited on a substrate. The surface plasmon frequency of a base layer of a first metal is tuned by the surface plasmon frequency of a second layer of a second metal formed thereon. The amount of tuning is dependent upon the thickness of the metallic layers, and thus tuning can be achieved by varying the thicknesses of one or both of the metallic layers. In a preferred embodiment directed to enhanced LED technology in the green spectrum regime, a double-metallic Au/Ag layer comprising a base layer of gold (Au) followed by a second layer of silver (Ag) formed thereon is deposited on top of InGaN/GaN quantum wells (QWs) on a sapphire/GaN substrate.

  3. Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface

    SciTech Connect (OSTI)

    Liu, Tianhui; Fu, Bina, E-mail: bina@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn; Zhang, Dong H., E-mail: bina@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

    2014-04-14

    We carried out six-dimensional quantum dynamics calculations for the dissociative adsorption of deuterium chloride (DCl) on Au(111) surface using the initial state-selected time-dependent wave packet approach. The four-dimensional dissociation probabilities are also obtained with the center of mass of DCl fixed at various sites. These calculations were all performed based on an accurate potential energy surface recently constructed by neural network fitting to density function theory energy points. The origin of the extremely small dissociation probability for DCl/HCl (v=0, j=0) fixed at the top site compared to other fixed sites is elucidated in this study. The influence of vibrational excitation and rotational orientation of DCl on the reactivity was investigated by calculating six-dimensional dissociation probabilities. The vibrational excitation of DCl enhances the reactivity substantially and the helicopter orientation yields higher dissociation probability than the cartwheel orientation. The site-averaged dissociation probability over 25 fixed sites obtained from four-dimensional quantum dynamics calculations can accurately reproduce the six-dimensional dissociation probability.

  4. Understanding the Kondo resonance in the d-CoPc/Au(111) adsorption system

    SciTech Connect (OSTI)

    Wang, Yu; Zheng, Xiao Li, Bin; Yang, Jinlong

    2014-08-28

    By combining the density functional theory (DFT) and a hierarchical equations of motion (HEOM) approach, we investigate the Kondo phenomena in a composite system consisting of a dehydrogenated cobalt phthalocyanine molecule (d-CoPc) adsorbed on an Au(111) surface. DFT calculations are performed to determine the ground-state geometric and electronic structures of the adsorption system. It is found that the singly occupied d{sub z{sup 2}} orbital of Co forms a localized spin, which could be screened by the substrate conduction electrons. This screening leads to the prominent Kondo features as observed in the scanning tunneling microscopy experiments. We then employ the HEOM approach to characterize the Kondo correlations of the adsorption system. The calculated temperature-dependent differential conductance spectra and the predicted Kondo temperature agree well with the experiments, and the universal Kondo scaling behavior is correctly reproduced. This work thus provides important insights into the relevant experiments, and it also highlights the applicability of the combined DFT+HEOM approach to the studies of strongly correlated condensed matter systems.

  5. Electronic structure and conductivity of nanocomposite metal (Au,Ag,Cu,Mo)-containing amorphous carbon films

    SciTech Connect (OSTI)

    Endrino, Jose L.; Horwat, David; Gago, Raul; Andersson, Joakim; Liu, Y.S.; Guo, Jinghua; Anders, Andre

    2008-05-14

    In this work, we study the influence of the incorporation of different metals (Me = Au, Ag, Cu, Mo) on the electronic structure of amorphous carbon (a-C:Me) films. The films were produced at room temperature using a novel pulsed dual-cathode arc deposition technique. Compositional analysis was performed with secondary neutral mass spectroscopy whereas X-ray diffraction was used to identify the formation of metal nanoclusters in the carbon matrix. The metal content incorporated in the nanocomposite films induces a drastic increase in the conductivity, in parallel with a decrease in the band gap corrected from Urbach energy. The electronic structure as a function of the Me content has been monitored by x-ray absorption near edge structure (XANES) at the C K-edge. XANES showed that the C host matrix has a dominant graphitic character and that it is not affected significantly by the incorporation of metal impurities, except for the case of Mo, where the modifications in the lineshape spectra indicated the formation of a carbide phase. Subtle modifications of the spectral lineshape are discussed in terms of nanocomposite formation.

  6. XRD, Photoluminescence and Optical Absorption Investigations of Cobalt-doped ZnO

    SciTech Connect (OSTI)

    Sujinnapram, Supphadate; Onreabroy, Wandee; Nantawisarakul, Tuangrak

    2009-07-07

    Zn{sub 1-x}Co{sub x}O(with x = 0, 0.01, 0.10 and 0.20) were synthesized by solid-state reaction method sintered at 600 deg. C for 12 hours. The samples were studied by X-ray diffraction (XRD), optical absorption (UV-Vis) and Photoluminescence (PL). Structural analysis by Rietveld method using XRD showed that the peaks of secondary phase Co{sub 3}O{sub 4} with a cubic structure were visible in the high-doped sample (x = 0.1, 0.2), besides the main peaks of wurtzite-like structure the same as that of ZnO. Shift of the XRD peaks proved the incorporation of Co{sup 2+} into the ZnO lattice. The band gap energy decreased from 3.18 to 3.14 eV with the increasing of cobalt concentration. PL spectra at room temperature showed the blue emission with the peak around 412 nm. In addition, the intensity of the blue emission decreased upon increasing the Co concentration, which indicated their high structural, defects and optical quality in the ZnO.

  7. Effect of swift heavy ion irradiation on bare and coated ZnS quantum dots

    SciTech Connect (OSTI)

    Chowdhury, S. Hussain, A.M.P.; Ahmed, G.A.; Singh, F.; Avasthi, D.K.; Choudhury, A.

    2008-12-01

    The present study compares structural and optical modifications of bare and silica (SiO{sub 2}) coated ZnS quantum dots under swift heavy ion (SHI) irradiation. Bare and silica coated ZnS quantum dots were prepared following an inexpensive chemical route using polyvinyl alcohol (PVA) as the dielectric host matrix. X-ray diffraction (XRD) and transmission electron microscopy (TEM) study of the samples show the formation of almost spherical ZnS quantum dots. The UV-Vis absorption spectra reveal blue shift relative to bulk material in absorption energy while photoluminescence (PL) spectra suggests that surface state and near band edge emissions are dominating in case of bare and coated samples, respectively. Swift heavy ion irradiation of the samples was carried out with 160 MeV Ni{sup 12+} ion beam with fluences 10{sup 12} to 10{sup 13} ions/cm{sup 2}. Size enhancement of bare quantum dots after irradiation has been indicated in XRD and TEM analysis of the samples which has also been supported by optical absorption spectra. However similar investigations on irradiated coated quantum dots revealed little change in quantum dot size and emission. The present study thus shows that the coated ZnS quantum dots are stable upon SHI irradiation compared to the bare one.

  8. ZnO-PVA nanocomposite films for low threshold optical limiting applications

    SciTech Connect (OSTI)

    Viswanath, Varsha; Beenakumari, C.; Muneera, C. I. [Department of Physics, University of Kerala, Kariavattom, Trivandrum-695581, Kerala (India)

    2014-10-15

    Zinc oxide-PVA nanocomposite films were fabricated adopting a simple method based on solution-casting, incorporating small weight percentages (<1.2 wt%) of ZnO in PVA (?0.62510{sup ?3}M to 710{sup ?3}M), and their structure, morphology, linear and low threshold nonlinear optical properties were investigated. The films were characterized as nanostructured ZnO encapsulated between the molecules/chains of the semicrystalline host polymer PVA. The samples exhibited low threshold nonlinear absorption and negative nonlinear refraction, as studied using the Z-scan technique. A switchover from SA to RSA was observed as the concentration of ZnO was increased. The optical limiting of 632.8 nm CW laser light displayed by these nanocomposite films is also demonstrated. The estimated values of the effective coefficients of nonlinear absorption, nonlinear refraction and third-order nonlinear susceptibility, |?{sup (3)}|, compared to those reported for continuous wave laser light excitation, measure up to the highest among them. The results show that the ZnO-PVA nanocomposite films have great potential applications in future optical and photonic devices.

  9. Fabrication of stable, wide-bandgap thin films of Mg, Zn and O

    DOE Patents [OSTI]

    Katiyar, Ram S.; Bhattacharya, Pijush; Das, Rasmi R.

    2006-07-25

    A stable, wide-bandgap (approximately 6 eV) ZnO/MgO multilayer thin film is fabricated using pulsed-laser deposition on c-plane Al2O3 substrates. Layers of ZnO alternate with layers of MgO. The thickness of MgO is a constant of approximately 1 nm; the thicknesses of ZnO layers vary from approximately 0.75 to 2.5 nm. Abrupt structural transitions from hexagonal to cubic phase follow a decrease in the thickness of ZnO sublayers within this range. The band gap of the thin films is also influenced by the crystalline structure of multilayer stacks. Thin films with hexagonal and cubic structure have band-gap values of 3.5 and 6 eV, respectively. In the hexagonal phase, Mg content of the films is approximately 40%; in the cubic phase Mg content is approximately 60%. The thin films are stable and their structural and optical properties are unaffected by annealing at 750.degree. C.

  10. Structurally ordered Pt–Zn/C series nanoparticles as efficient anode catalysts for formic acid electrooxidation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhu, Jing; Zheng, Xin; Wang, Jie; Wu, Zexing; Han, Lili; Lin, Ruoqian; Xin, Huolin L.; Wang, Deli

    2015-09-15

    Controlling the size, composition, and structure of bimetallic nanoparticles is of particular interest in the field of electrocatalysts for fuel cells. In the present work, structurally ordered nanoparticles with intermetallic phases of Pt3Zn and PtZn have been successfully synthesized via an impregnation reduction method, followed by post heat-treatment. The Pt3Zn and PtZn ordered intermetallic nanoparticles are well dispersed on a carbon support with ultrasmall mean particle sizes of ~5 nm and ~3 nm in diameter, respectively, which are credited to the evaporation of the zinc element at high temperature. These catalysts are less susceptible to CO poisoning relative to Pt/Cmore » and exhibited enhanced catalytic activity and stability toward formic acid electrooxidation. The mass activities of the as-prepared catalysts were approximately 2 to 3 times that of commercial Pt at 0.5 V (vs. RHE). As a result, this facile synthetic strategy is scalable for mass production of catalytic materials.« less

  11. Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks

    SciTech Connect (OSTI)

    Park, Hyunsoo; Moureau, David M.; Parise, John B.

    2008-10-03

    Three new metal-organic coordination polymers were synthesized hydrothermally using Zn2+ ion, 1,2,4-triazole, and 1,4-benzenedicarboxylic acid (BDC): Zn5(H2O)2(C2H2N3)4(C8H4O4)3 {center_dot} 3.9H2O (1), Zn2(C2H2N3)2(C2H3N3)(C8H4O4) {center_dot} 2.5H2O (2), and Zn4(H2O)2(C2H2N3)4(C8H4O4)2 {center_dot} 14H2O (3). Their crystal structures were determined by single-crystal X-ray diffraction. Their thermal properties were examined by thermogravimetric analysis. Structure 1 crystallizes in the monoclinic P21/n space group with a = 10.192(2) {angstrom}, b = 17.764(4) {angstrom}, c = 24.437(5) {angstrom}, {beta} = 91.19(3){sup o}, and V = 4423.3(15) {angstrom}3. Structure 2 crystallizes in the triclinic P space group with a = 7.797(2) {angstrom}, b = 10.047(2) {angstrom}, c = 13.577(3) {angstrom}, {alpha} = 110.18(3){sup o}, {beta} = 105.46(3){sup o}, {gamma} = 93.90(3){sup o}, and V = 947.0(3) {angstrom}3. Structure 3 crystallizes in monoclinic P21/n space group with a = 13.475(3) {angstrom}, b = 26.949(5) {angstrom}, c = 13.509(3) {angstrom}, {beta} = 95.18(3){sup o}, and V = 4885.7(17) {angstrom}3. In structure 1, the units of the triazole-Zn polyhedra are linked by BDC in a zigzag fashion to create the stacking of phenyl groups along the a axis. In structure 2, both triazole and BDC bridge Zn polyhedra in the (011) plane, resulting in the eight-membered channels along the a axis. In the case of structure 3, the BDC links the Zn polyhedra along the b axis to form a pillared open framework. This structure is the most porous of the compounds presented in this work.

  12. Φ meson production in d+Au collisions at √sNN = 200 GeV

    SciTech Connect (OSTI)

    Adare, A.

    2015-10-19

    The PHENIX Collaboration has measured Φ meson production in d+Au collisions at √sNN=200 GeV using the dimuon and dielectron decay channels. The Φ meson is measured in the forward (backward) d-going (Au-going) direction, 1.2 < y < 2.2 (–2.2 < y < –1.2) in the transverse-momentum (pT) range from 1–7 GeV/c and at midrapidity |y|<0.35 in the pT range below 7 GeV/c. The Φ meson invariant yields and nuclear-modification factors as a function of pT, rapidity, and centrality are reported. An enhancement of Φ meson production is observed in the Au-going direction, while suppression is seen in the d-going direction, and no modification is observed at midrapidity relative to the yield in p+p collisions scaled by the number of binary collisions. As a result, similar behavior was previously observed for inclusive charged hadrons and open heavy flavor, indicating similar cold-nuclear-matter effects.

  13. Φ meson production in d+Au collisions at √sNN = 200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.

    2015-10-19

    The PHENIX Collaboration has measured Φ meson production in d+Au collisions at √sNN=200 GeV using the dimuon and dielectron decay channels. The Φ meson is measured in the forward (backward) d-going (Au-going) direction, 1.2 T) range from 1–7 GeV/c and at midrapidity |y|T range below 7 GeV/c. The Φ meson invariant yields and nuclear-modification factors as a function of pT, rapidity, and centrality are reported. An enhancement of Φ meson production is observed in the Au-going direction, while suppression is seen in the d-going direction,more »and no modification is observed at midrapidity relative to the yield in p+p collisions scaled by the number of binary collisions. As a result, similar behavior was previously observed for inclusive charged hadrons and open heavy flavor, indicating similar cold-nuclear-matter effects.« less

  14. Φ meson production in d+Au collisions at √sNN = 200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.

    2015-10-19

    The PHENIX Collaboration has measured Φ meson production in d+Au collisions at √sNN=200 GeV using the dimuon and dielectron decay channels. The Φ meson is measured in the forward (backward) d-going (Au-going) direction, 1.2 < y < 2.2 (–2.2 < y < –1.2) in the transverse-momentum (pT) range from 1–7 GeV/c and at midrapidity |y|<0.35 in the pT range below 7 GeV/c. The Φ meson invariant yields and nuclear-modification factors as a function of pT, rapidity, and centrality are reported. An enhancement of Φ meson production is observed in the Au-going direction, while suppression is seen in the d-going direction,more » and no modification is observed at midrapidity relative to the yield in p+p collisions scaled by the number of binary collisions. As a result, similar behavior was previously observed for inclusive charged hadrons and open heavy flavor, indicating similar cold-nuclear-matter effects.« less

  15. The effects of fabrication and annealing on the structure and hydrogen permeation of Pd-Au binary alloy membranes

    SciTech Connect (OSTI)

    Gade, Sabina K; Payzant, E Andrew; Park, Helen J; Thoen, Paul M; Way, J. Douglas

    2009-01-01

    The addition of gold to palladium membranes produces many desirable effects for hydrogen purification, including improved tolerance of sulfur compounds, reduction in hydride phase formation, and, for certain compositions, improved hydrogen permeability. The focus of this work is to determine if sequential plating can be used to produce self-supported alloy membranes with equivalent properties to membranes produced by conventional metallurgical techniques such as cold-working. Sequential electroplating and electroless plating were used to produce freestanding planar Pd-Au membranes with Au contents ranging from 0 to 20 wt%, consisting of Au layers on both sides of a pure Pd core. Membranes were characterized by single-gas permeation measurements, scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM/EDS), and high temperature, controlled-atmosphere XRD (HTXRD). Sequentially plated foils tested without any prior annealing had significantly lower H2 permeabilities than either measured or literature values for homogeneous foils of equivalent composition. This effect appears to be due to the formation of stable gold-enriched surface layers. Pretreatment of membranes to 1023 K created membranes with hydrogen permeabilities equivalent to literature values, despite the fact that trace amounts of surface gold remained detectable with XRD.

  16. Single-step in-situ synthesis and optical properties of ZnSe nanostructured dielectric nanocomposites

    SciTech Connect (OSTI)

    Dey, Chirantan; Rahaman Molla, Atiar; Tarafder, Anal; Karmakar, Basudeb; Kr Mishra, Manish; De, Goutam; Goswami, Madhumita; Kothiyal, G. P.

    2014-04-07

    This work provides the evidence of visible red photoluminescent light emission from ZnSe nanocrystals (NCs) grown within a dielectric (borosilicate glass) matrix synthesized by a single step in-situ technique for the first time and the NC sizes were controlled by varying only the concentration of ZnSe in glass matrix. The ZnSe NCs were investigated by UV-Vis optical absorption spectroscopy, Raman spectroscopy, and transmission electron microscopy (TEM). The sizes of the ZnSe NCs estimated from the TEM images are found to alter in the range of 2–53 nm. Their smaller sizes of the NCs were also calculated by using the optical absorption spectra and the effective mass approximation model. The band gap enlargements both for carrier and exciton confinements were evaluated and found to be changed in the range of 0–1.0 eV. The Raman spectroscopic studies showed blue shifted Raman peaks of ZnSe at 295 and 315 cm{sup −1} indicating phonon confinement effect as well as compressive stress effect on the surface atoms of the NCs. Red photoluminescence in ZnSe-glass nanocomposite reveals a broad multiple-peak structure due to overlapping of emission from NC size related electron-hole recombination (∼707 nm) and emissions from defects to traps, which were formed due to Se and Zn vacancies signifying potential application in photonics.

  17. Synthesis and optical study of green light emitting polymer coated CdSe/ZnSe core/shell nanocrystals

    SciTech Connect (OSTI)

    Tripathi, S.K.; Sharma, Mamta

    2013-05-15

    Highlights: ► Synthesis of Polymer coated core CdSe and CdSe/ZnSe core/shell NCs. ► From TEM image, the spherical nature of CdSe and CdSe/ZnSe is obtained. ► Exhibiting green band photoemission peak at 541 nm and 549 nm for CdSe core and CdSe/ZnSe core/shell NCs. ► The shell thickness has been calculated by using superposition of quantum confinement energy model. - Abstract: CdSe/ZnSe Core/Shell NCs dispersed in PVA are synthesized by chemical method at room temperature. This is characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), UV/Vis spectra and photoluminescence spectroscopy (PL). TEM image shows the spherical nature of CdSe/ZnSe core/shell NCs. The red shift of absorption and emission peak of CdSe/ZnSe core/shell NCs as compared to CdSe core confirmed the formation of core/shell. The superposition of quantum confinement energy model is used for calculation of thickness of ZnSe shell.

  18. Synthesis of monodispersed ZnAl{sub 2}O{sub 4} nanoparticles and their tribology properties as lubricant additives

    SciTech Connect (OSTI)

    Song, Xiaoyun; Zheng, Shaohua; Zhang, Jun; Li, Wei; Chen, Qiang; Cao, Bingqiang

    2012-12-15

    Graphical abstract: Display Omitted Highlights: ? The preparation of ZnAl{sub 2}O{sub 4} nanoparticles was realized by hydrothermal method. ? After surface modification, ZnAl{sub 2}O{sub 4} nanoparticles of narrow size distribution can disperse in lubricating oil stably. ? The modified ZnAl{sub 2}O{sub 4} nanoparticles as lubricating oil additives exhibit good tribology properties. -- Abstract: Monodispersed spherical zinc aluminate spinel (ZnAl{sub 2}O{sub 4}) nanoparticles were synthesized via a solvothermal method and modified by oleic acid in cyclohexanol solution. The nanoparticles were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM) and infrared spectrum (IR). The dispersion ability of nanoparticles in lubricant oil was measured with optical absorbance spectrum. The results show that the modified nanoparticles are nearly monodispersed and can stably disperse in lubricant oil. The tribological properties of the ZnAl{sub 2}O{sub 4} nanoparticles as an additive in lubricant oil were evaluated with four-ball test and thrust-ring test. For comparison, ZnO and Al{sub 2}O{sub 3} nanoparticles as additive in lubricant oil were also tested respectively. The results show that ZnAl{sub 2}O{sub 4} nanoparticles exhibit better tribology properties in terms of anti-wear and anti-friction than ZnO or Al{sub 2}O{sub 3} nanoparticles. The anti-friction and anti-wear mechanisms were discussed and the lubricating effect of ZnAl{sub 2}O{sub 4} nanoparticles can be attributed to nano-bearings effect and tribo-sintering mechanism.

  19. Photocatalytic pure water splitting activities for ZnGa{sub 2}O{sub 4} synthesized by various methods

    SciTech Connect (OSTI)

    Zeng, Chunmei; Hu, Tao; Hou, Nianjun; Liu, Siyao; Gao, Wenliang; Cong, Rihong; Yang, Tao

    2015-01-15

    Highlights: High temperature solid state reaction, hydrothermal, sol-gel methods were applied. All ZnGa{sub 2}O{sub 4} samples show UV-light catalytic activities on pure water splitting. Bulk ZnGa{sub 2}O{sub 4} has a good photocatalytic activity per specific surface area. Sol-gel is a superior method to prepare nanosized ZnGa{sub 2}O{sub 4} with a high activity. The AQY for SG-ZnGa{sub 2}O{sub 4} is 2.6% for pure water splitting under 313 nm irradiation. - Abstract: We studied and compared the photocatalytic water splitting performances for ZnGa{sub 2}O{sub 4} prepared by high temperature solid state reaction (HTSSR), hydrothermal (HY) and sol-gel (SG) methods. HTSSR-ZnGa{sub 2}O{sub 4} has a relative large photocatalytic activity per surface area (1.6 ?mol/h/m{sup 2}) in pure water by UV irradiation due to its high crystallinity. The HY- and SG-samples both have small particle sizes (20?30 nm) and therefore high surface area (20 and 29 m{sup 2}/g, respectively), which leads to superior photocatalytic H{sub 2} evolution rates per unit mass (11.5 and 28.5 ?mol/h/g). The apparent quantum yield of SG-ZnGa{sub 2}O{sub 4} for pure water splitting under 313 nm irradiation is 2.6%. The existence of substantial surface defects is the major problem for HY- and SG-ZnGa{sub 2}O{sub 4}. Consequently, the usage of sacrificial agents could greatly enhance the activities and indeed the H{sub 2} evolution rates in 20 Vol. % methanol aqueous solution increase to 100 and 142 ?mol/h/g for HY- and SG-ZnGa{sub 2}O{sub 4}, respectively.

  20. Synthesis and anion exchange properties of a Zn/Ni double hydroxide salt with a guarinoite structure

    SciTech Connect (OSTI)

    Delorme, F.; Seron, A.; Licheron, M.; Veron, E.; Giovannelli, F.; Beny, C.; Jean-Prost, V.; Martineau, D.

    2009-09-15

    In this study, the first route to synthesize a compound with the guarinoite structure (Zn,Co,Ni){sub 6}(SO{sub 4})(OH,Cl){sub 10}.5H{sub 2}O is reported. Zn/Ni guarinoite is obtained from the reaction of NiSO{sub 4}.7H{sub 2}O with solid ZnO in aqueous solution. The resulting green Zn/Ni guarinoite ((Zn{sub 3.52}Ni{sub 1.63})(SO{sub 4}){sub 1.33}(OH{sub 7.64}).4.67H{sub 2}O) was characterized by X-ray diffraction, infrared spectrometry, UV-Visible spectrometry and thermal analysis. It is shown that its structure is similar to the one described for the layered Zn sulfate hydroxide hydrate, i.e. brucite layers with 1/4 empty octahedra presenting tetrahedrally coordinated divalent atoms above and below the empty octahedra. Ni atoms are located in the octahedra and zinc atoms in tetrahedra and octahedra. In this structure the exchangeable anions are located at the apex of tetrahedra. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) observations show that the Zn/Ni guarinoite is composed of aggregates of hexagonal plates of several hundreds of nanometers. Due to its interest for industrial or environmental applications, the exchange of sulfate groups by carbonates has been investigated. Results show a limited exchange and a higher affinity of the Zn/Ni guarinoite for sulfates compared to carbonates. - Graphical abstract: SEM micrograph (secondary electrons) of the synthesized Zn/Ni guarinoite showing that aggregates are composed of small plate-like particles.

  1. Exchange bias effect in Au-Fe3O4 dumbbell nanoparticles induced by the charge transfer from gold

    SciTech Connect (OSTI)

    Feygenson, Mikhail; Bauer, John C; Gai, Zheng; Marques, Carlos; Aronson, Meigan C.; Teng, Xiaowei; Su, Dong; Stanic, Vesna; Urban, Volker S; Kevin, Beyer; Dai, Sheng

    2015-08-10

    We have studied the origin of the exchange bias effect in the Au-Fe3O4 dumbbell nanoparticles in two samples with different sizes of the Au seed nanoparticles (4.1 and 2.7 nm) and same size of Fe3O4 nanoparticles (9.8 nm). The magnetization, small-angle neutron scattering, synchrotron x-ray diffraction and scanning transmission electron microscope measurements determined the antiferromagnetic FeO wstite phase within Fe3O4 nanoparticles, originating at the interface with the Au nanoparticles. The interface between antiferromagnetic FeO and ferrimagnetic Fe3O4 is giving rise to the exchange bias effect. The strength of the exchange bias fields depends on the interfacial area and lattice mismatch between both phases. We propose that the charge transfer from the Au nanoparticles is responsible for a partial reduction of the Fe3O4 into FeO phase at the interface with Au nanoparticles. The Au-O bonds are formed across the interface to accommodate an excess of oxygen released during the reduction of magnetite.

  2. Shape transformation of bimetallic Au–Pd core–shell nanocubes to multilayered Au–Pd–Au core–shell hexagonal platelets

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bhattarai, Nabraj; Prozorov, Tanya

    2015-11-05

    Transformation of metallic or bimetallic (BM) nanoparticles (NPs) from one shape to another desired shape is of importance to nanoscience and nanotechnology, where new morphologies of NPs lead to enhancement of their exploitable properties. In this report, we present the shape transformation of Au octahedral NPs to Au–Pd core–shell nanocubes, followed by their transformation to nanostars and finally to multilayered Au–Pd–Au core–shell hexagonal platelets in the presence of T30 DNA. The weaker binding affinity of T30 DNA directs the growth to favor the formation of lower energy {111} facets, changing the morphology from nanocubes to nanostar. The nanostars, exhibiting unusualmore » intermediate morphologies, are comprised two sets of shell layers and have Au core, Pd intermediate shell, and Au outer shell. Similarly, the hexagonal platelets, which also have Au core and inner Pd shell, are encased in an external gold shell. As a result, the formation of multilayered Au–Pd–Au core–shell hexagonal platelets from Au–Pd core–shell nanocubes via the multilayered nanostars is monitored using scanning/transmission electron microscopy analysis.« less

  3. Evidence for Low-Intensity D-D Reaction as a Result of Exothermic Deuterium Desorption from Au/Pd/PdO:D Heterostructure

    SciTech Connect (OSTI)

    Lipson, A.G.; Lyakhov, B.F.; Roussetski, A.S.; Akimoto, T.; Mizuno, T.; Asami, N.; Shimada, R.; Miyashita, S.; Takahashi, A.

    2000-09-15

    Low-intensity nuclear emissions (neutrons and charged particles) due to exothermic deuterium desorption from Au/Pd/PdO heterostructure loaded with deuterium by electrolysis have been studied by NE213 neutron detection as well as SSB and CR-39 charged-particle detectors in low-background conditions with large statistics. Similar measurements were performed with the Au/Pd/PdO:H heterostructure as a control. It has been established that in experiments with the Au/Pd/PdO:D system, the excessive 2.45-MeV neutrons and 3.0-MeV protons are better detected than with the Au/Pd/PdO:H system, where those detection rates for n and p did not exceed the cosmic background level. The levels of neutron and proton emissions for 40- to 60-{mu}m-thick samples are found to be close to one another and after subtracting background (Au/Pd/PdO:H count rate) consist of I{sub n} = (19 {+-} 2).10{sup -3} n/s and I{sub p} (4.0 {+-} 1.0).10{sup -3} p/s in a 4{pi} solid angle, respectively. These yields of D-D reaction products in Au/Pd/PdO heterostructure comply with the mean D-D reaction rate of {lambda}{sub dd} {approx} 10{sup -23}s{sup -1} per D-D pair.

  4. Post-Growth Annealing of Bridgman-grown CdZnTe and CdMnTe Crystals for

    Office of Scientific and Technical Information (OSTI)

    Room-temperature Nuclear Radiation Detectors (Journal Article) | SciTech Connect Post-Growth Annealing of Bridgman-grown CdZnTe and CdMnTe Crystals for Room-temperature Nuclear Radiation Detectors Citation Details In-Document Search Title: Post-Growth Annealing of Bridgman-grown CdZnTe and CdMnTe Crystals for Room-temperature Nuclear Radiation Detectors Bridgman-grown cadmium zinc telluride (CdZnTe or CZT) and cadmium manganese telluride (CdMnTe or CMT) crystals often have Te inclusions that

  5. Dielectric properties of a polar ZnSnO{sub 3} with LiNbO{sub 3}-type

    Office of Scientific and Technical Information (OSTI)

    structure (Journal Article) | SciTech Connect Dielectric properties of a polar ZnSnO{sub 3} with LiNbO{sub 3}-type structure Citation Details In-Document Search Title: Dielectric properties of a polar ZnSnO{sub 3} with LiNbO{sub 3}-type structure The dielectric properties of a polar LiNbO{sub 3}-type ZnSnO{sub 3} synthesized under high-pressure have been investigated with respect to the dielectric permittivity in the relative low frequency range of 10 kHz to 1 MHz and the SHG response at an

  6. Zn-doped and undoped SnO{sub 2} nanoparticles: A comparative structural, optical and LPG sensing properties study

    SciTech Connect (OSTI)

    Mishra, R.K.; Sahay, P.P.

    2012-12-15

    Graphical abstract: The X-ray diffraction (XRD) analyses confirm that all the materials prepared are polycrystalline SnO{sub 2} possessing tetragonal rutile structure. On Zn-doping, the crystallite size has been found to decrease from 25 nm (undoped sample) to 13 nm (1 at% Zn-doped sample). Display Omitted Highlights: ? Zn-doped SnO{sub 2} nanoparticles show smaller crystallite size (1117 nm). ? Optical band gap in SnO{sub 2} nanoparticles increases on Zn-doping. ? 2 at% Zn-doped sample show minimum room temperature resistivity. ? LPG response of the Zn-doped SnO{sub 2} nanoparticles increases considerably. ? 1 at% Zn-doped sample shows maximum response (87%) at 300 C to 1 vol% concentration. -- Abstract: SnO{sub 2} nanoparticles were prepared by the co-precipitation method with SnCl{sub 4}5H{sub 2}O as the starting material and Zn(CH{sub 3}COO){sub 2}2H{sub 2}O as the source of dopant. All the materials prepared have been found to be polycrystalline SnO{sub 2} possessing tetragonal rutile structure with crystallite sizes in the range 1125 nm. Optical analyses reveal that for the SnO{sub 2} nanoparticles, both undoped and Zn-doped, direct transition occurs with the bandgap energies in the range 3.053.41 eV. Variation in the room temperature resistivity of the SnO{sub 2} nanoparticles as a function of dopant concentration has been explained on the basis of two competitive processes: (i) replacement of Sn{sup 4+} ion by an added Zn{sup 2+} ion, and (ii) ionic compensation of Zn{sup 2+} by the formation of oxygen vacancies. Among all the samples examined for LPG sensing, the 1 at% Zn-doped sample exhibits fast and maximum response (?87%) at 300 C for 1 vol% concentration of LPG in air.

  7. Zn-Doping Dependence of Stripe Order in La1.905Ba0.095CuO4

    SciTech Connect (OSTI)

    Hucker, M.; Zimmermann, M.v.; Xu, Z.J.; Wen, J.S.; Gu, G.D.; Tian, W.; Zarestky, J.; Tranquada, J.M.

    2011-04-01

    The effect of Zn-doping on the stripe order in La{sub 1.905}Ba{sub 0.095}CuO{sub 4} has been studied by means of x-ray and neutron diffraction as well as magnetization measurements. While 1% Zn leads to an increase of the spin stripe order, it unexpectedly causes a wipe out of the visibility of the charge stripe order. A magnetic field of 10 Tesla applied along the c-axis has no reversing effect on the charge order. We compare this observation with the Zn-doping dependence of the crystal structure, superconductivity, and normal state magnetism.

  8. Simulation, Modeling, and Crystal Growth of Cd0.9Zn0.1Te for Nuclear

    Office of Scientific and Technical Information (OSTI)

    Spectrometers (Journal Article) | SciTech Connect Simulation, Modeling, and Crystal Growth of Cd0.9Zn0.1Te for Nuclear Spectrometers Citation Details In-Document Search Title: Simulation, Modeling, and Crystal Growth of Cd0.9Zn0.1Te for Nuclear Spectrometers High-quality, large (10 cm long and 2.5 cm diameter), nuclear spectrometer grade Cd{sub 0.9}Zn{sub 0.1}Te (CZT) single crystals have been grown by a controlled vertical Bridgman technique using in-house zone refined precursor materials

  9. PARTICLE ACCELERATION AT QUASI-PARALLEL SHOCK WAVES: THEORY AND OBSERVATIONS AT 1 AU

    SciTech Connect (OSTI)

    Neergaard Parker, L.; Zank, G. P.

    2012-09-20

    In this paper, we describe a theoretical model for accelerating an arbitrary upstream particle distribution. Only those particles that exceed a prescribed injection energy, E{sub inj}, are accelerated via the diffusive shock acceleration (DSA) mechanism, also known as first-order Fermi acceleration. We identify a set of quasi-parallel shocks at 1 AU and use the observed solar wind particle distribution information to construct our upstream distribution, which is then accelerated diffusively at the shock, assuming the observed shock parameters. The injection energy for particles to be accelerated diffusively at a quasi-parallel shock is discussed theoretically. By using the observed upstream solar wind distribution function and the observed shock parameters, we can compute the injection energy that matches the observed downstream accelerated particle spectrum. Like the previous studies of van Nes et al., Lario et al., and Ho et al., this analysis focuses on the acceleration of protons only via the first-order Fermi acceleration mechanism. However, our primary focus is on quasi-parallel shocks and the injection mechanism in the context of DSA with a background thermal solar wind modeled as a Maxwellian or kappa distribution. Our approach allows for a direct test of injection at interplanetary shocks. It has been proposed that an additional seed population of energetic particles is needed to explain the accelerated particle distribution downstream of quasi-parallel shocks. This conclusion is based typically on studies that address the acceleration of heavy ions primarily and do not characterize the injection of protons alone using the DSA mechanism. Through comparisons of Maxwellian and kappa upstream distributions, we find that DSA with injection directly from a thermal Maxwellian distribution, or weak departures therefrom, for protons is responsible for energetic solar particle events associated with quasi-parallel shocks.

  10. Physical deoxygenation of graphene oxide paper surface and facile in situ synthesis of graphene based ZnO films

    SciTech Connect (OSTI)

    Ding, Jijun; Wang, Minqiang Zhang, Xiangyu; Ran, Chenxin; Shao, Jinyou; Ding, Yucheng

    2014-12-08

    In-situ sputtering ZnO films on graphene oxide (GO) paper are used to fabricate graphene based ZnO films. Crystal structure and surface chemical states are investigated. Results indicated that GO paper can be effectively deoxygenated by in-situ sputtering ZnO on them without adding any reducing agent. Based on the principle of radio frequency magnetron sputtering, we propose that during magnetron sputtering process, plasma streams contain large numbers of electrons. These electrons not only collide with argon atoms to produce secondary electrons but also they are accelerated to bombard the substrates (GO paper) resulting in effective deoxygenation of oxygen-containing functional groups. In-situ sputtering ZnO films on GO paper provide an approach to design graphene-semiconductor nanocomposites.

  11. Use of separate ZnTe interface layers to form OHMIC contacts to p-CdTe films

    DOE Patents [OSTI]

    Gessert, Timothy A. (Conifer, CO)

    1999-01-01

    A method of improving electrical contact to a thin film of a p-type tellurium-containing II-VI semiconductor comprising: depositing a first undoped layer of ZnTe on a thin film of p-type tellurium containing II-VI semiconductor with material properties selected to limit the formation of potential barriers at the interface between the p-CdTe and the undoped layer, to a thickness sufficient to control diffusion of the metallic-doped ZnTe into the p-type tellurim-containing II-VI semiconductor, but thin enough to minimize affects of series resistance; depositing a second heavy doped p-type ZnTe layer to the first layer using an appropriate dopant; and depositing an appropriate metal onto the outer-most surface of the doped ZnTe layer for connecting an external electrical conductor to an ohmic contact.

  12. Use of separate ZnTe interface layers to form ohmic contacts to p-CdTe films

    DOE Patents [OSTI]

    Gessert, T.A.

    1999-06-01

    A method of is disclosed improving electrical contact to a thin film of a p-type tellurium-containing II-VI semiconductor comprising: depositing a first undoped layer of ZnTe on a thin film of p-type tellurium containing II-VI semiconductor with material properties selected to limit the formation of potential barriers at the interface between the p-CdTe and the undoped layer, to a thickness sufficient to control diffusion of the metallic-doped ZnTe into the p-type tellurium-containing II-VI semiconductor, but thin enough to minimize affects of series resistance; depositing a second heavy doped p-type ZnTe layer to the first layer using an appropriate dopant; and depositing an appropriate metal onto the outer-most surface of the doped ZnTe layer for connecting an external electrical conductor to an ohmic contact. 11 figs.

  13. The effects of deep level traps on the electrical properties of semi-insulating CdZnTe

    SciTech Connect (OSTI)

    Zha, Gangqiang; Yang, Jian; Xu, Lingyan; Feng, Tao; Wang, Ning; Jie, Wanqi

    2014-01-28

    Deep level traps have considerable effects on the electrical properties and radiation detection performance of high resistivity CdZnTe. A deep-trap model for high resistivity CdZnTe was proposed in this paper. The high resistivity mechanism and the electrical properties were analyzed based on this model. High resistivity CdZnTe with high trap ionization energy E{sub t} can withstand high bias voltages. The leakage current is dependent on both the deep traps and the shallow impurities. The performance of a CdZnTe radiation detector will deteriorate at low temperatures, and the way in which sub-bandgap light excitation could improve the low temperature performance can be explained using the deep trap model.

  14. Comment on 'The diatomic dication CuZn{sup 2+} in the gas phase' [J. Chem. Phys. 135, 034306 (2011)

    SciTech Connect (OSTI)

    Fiser, Jiri; Diez, Reinaldo Pis; Franzreb, Klaus; Alonso, Julio A.

    2013-02-21

    In this Comment, the density functional theory (DFT) calculations carried out by Diez et al. [J. Chem. Phys. 135, 034306 (2011)] are revised within the framework of the coupled-cluster single double triple method. These more sophisticated calculations allow us to show that the {sup 2}{Sigma}{sup +} electronic ground state of CuZn{sup 2+}, characterized as the metastable ground state by DFT calculations, is a repulsive state instead. The {sup 2}{Delta} and {sup 2}{Pi} metastable states of CuZn{sup 2+}, on the other hand, should be responsible for the formation mechanism of the dication through the near-resonant electron transfer CuZn{sup +}+ Ar{sup +}{yields} CuZn{sup 2+}+ Ar reaction.

  15. Spectral photoresponse of ZnSe/GaAs(001) heterostructures with CdSe ultra-thin quantum well insertions

    SciTech Connect (OSTI)

    Valverde-Chvez, D. A.; Sutara, F.; Hernndez-Caldern, I.

    2014-05-15

    We present a study of the spectral photoresponse (SPR) of ZnSe/GaAs(001) heterostructures for different ZnSe film thickness with and without CdSe ultra-thin quantum well (UTQW) insertions. We observe a significant increase of the SPR of heterostructures containing 3 monolayer thick CdSe UTQW insertions; these results encourage their use in photodetectors and solar cells.

  16. Interactions of aqueous amino acids and proteins with the (110) surface of ZnS in molecular dynamics simulations

    SciTech Connect (OSTI)

    Nawrocki, Grzegorz; Cieplak, Marek

    2014-03-07

    The growing usage of nanoparticles of zinc sulfide as quantum dots and biosensors calls for a theoretical assessment of interactions of ZnS with biomolecules. We employ the molecular-dynamics-based umbrella sampling method to determine potentials of mean force for 20 single amino acids near the ZnS (110) surface in aqueous solutions. We find that five amino acids do not bind at all and the binding energy of the remaining amino acids does not exceed 4.3 kJ/mol. Such energies are comparable to those found for ZnO (and to hydrogen bonds in proteins) but the nature of the specificity is different. Cysteine can bind with ZnS in a covalent way, e.g., by forming the disulfide bond with S in the solid. If this effect is included within a model incorporating the Morse potential, then the potential well becomes much deeperthe binding energy is close to 98 kJ/mol. We then consider tryptophan cage, a protein of 20 residues, and characterize its events of adsorption to ZnS. We demonstrate the relevance of interactions between the amino acids in the selection of optimal adsorbed conformations and recognize the key role of cysteine in generation of lasting adsorption. We show that ZnS is more hydrophobic than ZnO and that the density profile of water is quite different than that forming near ZnOit has only a minor articulation into layers. Furthermore, the first layer of water is disordered and mobile.

  17. Prolactin receptor attenuation induces zinc pool redistribution through ZnT2 and decreases invasion in MDA-MB-453 breast cancer cells

    SciTech Connect (OSTI)

    Bostanci, Zeynep; Alam, Samina; Soybel, David I.; Kelleher, Shannon L.

    2014-02-15

    Prolactin receptor (PRL-R) activation regulates cell differentiation, proliferation, cell survival and motility of breast cells. Prolactin (PRL) and PRL-R over-expression are strongly implicated in breast cancer, particularly contributing to tumor growth and invasion in the more aggressive estrogen-receptor negative (ER?) disease. PRL-R antagonists have been suggested as potential therapeutic agents; however, mechanisms through which PRL-R antagonists exert their actions are not well-understood. Zinc (Zn) is a regulatory factor for over 10% of the proteome, regulating critical cell processes such as proliferation, cell signaling, transcription, apoptosis and autophagy. PRL-R signaling regulates Zn metabolism in breast cells. Herein we determined effects of PRL-R attenuation on cellular Zn metabolism and cell function in a model of ER-, PRL-R over-expressing breast cancer cells (MDA-MB-453). PRL-R attenuation post-transcriptionally increased ZnT2 abundance and redistributed intracellular Zn pools into lysosomes and mitochondria. ZnT2-mediated lysosomal Zn sequestration was associated with reduced matrix metalloproteinase 2 (MMP-2) activity and decreased invasion. ZnT2-mediated Zn accumulation in mitochondria was associated with increased mitochondrial oxidation. Our results suggest that PRL-R antagonism in PRL-R over-expressing breast cancer cells may reduce invasion through the redistribution of intracellular Zn pools critical for cellular function. - Highlights: PRL-R attenuation increased ZnT2 expression. PRL-R attenuation increased lysosomal and mitochondrial Zn accumulation. PRL-R attenuation decreased MMP-2 and invasion. PRL-R antagonists may modulate lysosomal and mitochondrial Zn pools.

  18. Density-functional Monte-Carlo simulation of CuZn order-disorder transition

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Khan, Suffian N.; Eisenbach, Markus

    2016-01-25

    We perform a Wang-Landau Monte Carlo simulation of a Cu0.5Zn0.5 order-disorder transition using 250 atoms and pairwise atom swaps inside a 5 x 5 x 5 BCC supercell. Each time step uses energies calculated from density functional theory (DFT) via the all-electron Korringa-Kohn- Rostoker method and self-consistent potentials. Here we find CuZn undergoes a transition from a disordered A2 to an ordered B2 structure, as observed in experiment. Our calculated transition temperature is near 870 K, comparing favorably to the known experimental peak at 750 K. We also plot the entropy, temperature, specific-heat, and short-range order as a function ofmore » internal energy.« less

  19. Defect-induced magnetism in cobalt-doped ZnO epilayers

    SciTech Connect (OSTI)

    Ciatto, G.; Fonda, E.; Trolio, A. Di; Alippi, P.; Varvaro, G.; Bonapasta, A. Amore; Polimeni, A.; Capizzi, M.

    2014-02-21

    We used a synergic Co-edge X-ray absorption spectroscopy (XAS) and density functional theory calculations approach to perform a study of defects which could account for the room temperature ferromagnetism of ZnCoO, an oxide of great potential interest in semiconductor spintronics. Our results suggest that a key role is played by specific defect complexes in which O vacancies are located close to the Co atoms. Extended defects such as Co clusters have a marginal function, although we observe their formation at the epilayer surface under certain growth conditions. We also show preliminary results of the study of hydrogen-induced defects in ZnCoO epilayers deliberately hydrogen irradiated via a Kaufman source. Hydrogen was in fact predicted to mediate a ferromagnetic spin-spin interaction between neighboring magnetic impurities.

  20. ZnO buffer layer for metal films on silicon substrates

    DOE Patents [OSTI]

    Ihlefeld, Jon

    2014-09-16

    Dramatic improvements in metallization integrity and electroceramic thin film performance can be achieved by the use of the ZnO buffer layer to minimize interfacial energy between metallization and adhesion layers. In particular, the invention provides a substrate metallization method utilizing a ZnO adhesion layer that has a high work of adhesion, which in turn enables processing under thermal budgets typically reserved for more exotic ceramic, single-crystal, or metal foil substrates. Embodiments of the present invention can be used in a broad range of applications beyond ferroelectric capacitors, including microelectromechanical systems, micro-printed heaters and sensors, and electrochemical energy storage, where integrity of metallized silicon to high temperatures is necessary.

  1. Changes induced in a ZnS:Cr-based electroluminescent waveguide structure by intrinsic near-infrared laser radiation

    SciTech Connect (OSTI)

    Vlasenko, N. A. Oleksenko, P. F.; Mukhlyo, M. A.; Veligura, L. I.

    2013-08-15

    The causes of changes that occur in a thin-film electroluminescent metal-insulator-semiconductor-insulator-metal waveguide structure based on ZnS:Cr (Cr concentration of {approx}4 Multiplication-Sign 10{sup 20} cm{sup -3}) upon lasing ({lambda} Almost-Equal-To 2.6 {mu}m) and that induce lasing cessation are studied. It is established that lasing ceases because of light-scattering inhomogeneities formed in the structure and, hence, optical losses enhance. The origin of the inhomogeneities and the causes of their formation are clarified by studying the surface topology and the crystal structure of constituent layers of the samples before and after lasing. The studies are performed by means of atomic force microscopy and X-ray radiography. It is shown that a substantial increase in the sizes of grains on the surface of the structure is the manifestation of changes induced in the ZnS:Cr film by recrystallization. Recrystallization is initiated by local heating by absorbed laser radiation in existing Cr clusters and quickened by a strong electric field (>1 MV cm{sup -1}). The changes observed in the ZnS:Cr film are as follows: the textured growth of ZnS crystallites, an increase in the content of Cr clusters, and the appearance of some CrS and a rather high ZnO content. Some ways for improving the stability of lasing in the ZnS:Cr-based waveguide structures are proposed.

  2. Effect of surface adsorption and non-stoichiometry on the workfunction of ZnO surfaces: A first principles study

    SciTech Connect (OSTI)

    Sun, Wei; Li, Yun; Jha, Jitendra Kumar; Shepherd, Nigel D.; Du, Jincheng

    2015-04-28

    ZnO has been actively studied for potential usage as a transparent conducting oxide (TCO) for a variety of applications including organic light emitting diodes and solar cells. In these applications, fine-tuning the workfunction of ZnO is critical for controlling interfacial barriers and improving the charge injection (or outcoupling) efficiencies. We have performed plane wave periodic density functional theory calculations to investigate the effect of different surface absorbents and surface defects (including surface non-stoichiometry) on the workfunction of ZnO. The aim was to understand the underlying mechanism of workfunction changes, in order to engineer specific workfunction modifications. Accurate calculations of workfunctions of polar surfaces were achieved by introducing balancing pseudo charges on one side of the surface to remove the dipolar effect. It was found that increasing the surface coverage of hydrocarbons (-CH{sub 3}) decreased the workfunction, while adsorption of highly electronegative-F and -CF{sub 3} groups and increases in surface O/Zn ratio increased the workfunction of ZnO. The increase of workfunction was found to be directly correlated to the enhancement variation of surface dipole moment due to adsorptions or other surface modifications. Introducing surface absorbents that increase surface dipole moment can be an effective way to increase workfunction in ZnO TCOs.

  3. Photovoltaic effect in an indium-tin-oxide/ZnO/BiFeO{sub 3}/Pt heterostructure

    SciTech Connect (OSTI)

    Fan, Zhen; Yao, Kui E-mail: msewangj@nus.edu.sg; Wang, John E-mail: msewangj@nus.edu.sg

    2014-10-20

    We have studied the photovoltaic effect in a metal/semiconductor/ferroelectric/metal heterostructure of In{sub 2}O{sub 3}-SnO{sub 2}/ZnO/BiFeO{sub 3}/Pt (ITO/ZnO/BFO/Pt) multilayer thin films. The heterolayered structure shows a short-circuit current density (J{sub sc}) of 340??A/cm{sup 2} and an energy conversion efficiency of up to 0.33% under blue monochromatic illumination. The photovoltaic mechanism, specifically in terms of the major generation site of photo-excited electron-hole (e-h) pairs and the driving forces for the separation of e-h pairs, is clarified. The significant increase in photocurrent of the ITO/ZnO/BFO/Pt compared to that of ITO/BFO/Pt is attributed to the abundant e-h pairs generated from ZnO. Ultraviolet photoelectron spectroscopy reveals the energy band alignment of ITO/ZnO/BFO/Pt, where a Schottky barrier and an n{sup +}-n junction are formed at the BFO/Pt and ZnO/BFO interfaces, respectively. Therefore, two built-in fields developed at the two interfaces are constructively responsible for the separation and transport of photo-excited e-h pairs.

  4. Nature of red luminescence band in research-grade ZnO single crystals: A self-activated configurational transition

    SciTech Connect (OSTI)

    Chen, Y. N.; Xu, S. J. Zheng, C. C.; Ning, J. Q.; Ling, F. C. C.; Anwand, W.; Brauer, G.; Skorupa, W.

    2014-07-28

    By implanting Zn{sup +} ions into research-grade intentionally undoped ZnO single crystal for facilitating Zn interstitials (Zn{sub i}) and O vacancies (V{sub O}) which is revealed by precise X-Ray diffraction rocking curves, we observe an apparent broad red luminescence band with a nearly perfect Gaussian lineshape. This red luminescence band has the zero phonon line at ?2.4 eV and shows distinctive lattice temperature dependence which is well interpreted with the configurational coordinate model. It also shows a low kick out thermal energy and small thermal quenching energy. A self-activated optical transition between a shallow donor and the defect center of Zn{sub i}-V{sub O} complex or V{sub Zn}V{sub O} di-vacancies is proposed to be responsible for the red luminescence band. Accompanied with the optical transition, large lattice relaxation simultaneously occurs around the center, as indicated by the generation of multiphonons.

  5. Synthesis and characterization of Cr-doped ZnO nanorod-array photocatalysts with improved activity

    SciTech Connect (OSTI)

    Chang, Chi-Jung Yang, Tsung-Lin; Weng, Yu-Ching

    2014-06-01

    Immobilized photocatalysts with high catalytic activity under UV light were prepared by growing Cr-doped ZnO nanorods on glass substrates by a hydrothermal method. The effects of Cr dopant on the surface texture, crystallinity, surface chemistry, and photoinduced charge separation and their relation with the photocatalytic degradation of Cr-doped ZnO were investigated by scanning electron microscopy, diffuse reflectance spectra, photoelectrochemical scanning electrochemical microscopy, and X-ray photoemission spectroscopy. Adding the appropriate amount of Cr dopant is a powerful way to enhance the separation of charge carriers in ZnO photocatalyst. The photocatalytic activity was improved due to the increase in surface oxygen vacancies, the separation of charge carriers, modification of the band gap, and the large surface area of the doped ZnO nanorod photocatalyst. - Graphical abstract: Photoinduced charge separation and its relation with the photocatalytic degradation activity of Cr-doped ZnO were investigated by photoelectrochemical scanning electrochemical microscopy. - Highlights: Cr dopant enhances separation of charge carries in ZnO nanorod photocatalyst. Photoinduced charge carries separation monitored by PEC-SECM. The higher the photocurrent is, the higher the photocatalytic activity is. Degradation of DB86 dye solutions under visible light finished within 50 min. Higher activity due to more oxygen vacancy, tuned band gap and more surface area.

  6. Photocatalytic reduction of aqueous mercury(II) using multi-walled carbon nanotubes/Pd-ZnO nanocomposite

    SciTech Connect (OSTI)

    Mohamed, R.M.; Abdel Salam, Mohamed

    2014-02-01

    Highlights: MWCNT/Pd-ZnO were used for photocatalytic reduction of Hg{sup 2+}. Photocatalytic reduction of Hg{sup 2+} was dependent on wt% of MWCNT, reaction time, and weight of catalyst. Catalyst re-use revealed the present photocatalyst remain effective and active after five, cycles. - Abstract: Pd-ZnO nanocatalyst supported on multi-walled carbon nanotubes was successfully synthesized via a modified solgel method, and the prepared photocatalyst was used for the environmental remediation of aqueous Hg(II) via photocatalytic reduction under visible light. The prepared MWCNTs/Pd/ZnO nanocomposite photocatalyst was characterized using X-ray diffraction, BrunauerEmmettTeller (BET), transmission electron microscopy, and UVvis spectra (UVvis). The results showed that both Pd and ZnO nanoparticles were well dispersed over the MWCNTs, and a uniform nanocomposite was formed. The results also illustrated that Pd doping can eliminate the recombination of electron-hole pairs in the catalyst, and the presence of MWCNTs in ZnO composite can change surface properties to achieve sensitivity to visible light. The results demonstrated that optimum mass ratio of CNT:ZnO:Pd were 0.04:1.0:0.08, which resulted in the exceptional performance of the photocatalyst to reduce about 100% of Hg(II) in a 100 mg L solution within 30 min.

  7. Anisotropic hot deformed magnets prepared from Zn-coated MRE-Fe-B ribbon powder (MRE?=?Nd?+?Y?+?Dy)

    SciTech Connect (OSTI)

    Tang, W; Zhou, L; Sun, K W; Dennis, K W; Kramer, M J; Anderson, I E; McCallum, R W

    2014-05-07

    Milled melt-spun ribbon flake of MRE-Fe-B coated with Zn coating using a vapor transport technique was found to have significant increase in coercivity without degrading the magnetization when the Zn thickness and heat treatment were optimized. Magnetic measurements show that 0.51?wt.?% Zn coating increases the coercivity about 1?kOe over the initial ribbon powder. After vacuum hot deformation (VHD), the VHD magnet with Zn coating of 0.5?wt.?% results in a nearly 3?kOe higher coercivity than an un-coated alloy magnet. An optimized VHD magnet with 0.5?wt.?% Zn coating obtains a coercivity of 11.2?kOe and (BH)max of 23.0 MGOe, respectively. SEM and TEM microstructures analysis demonstrates that the Zn coating on the surface of ribbon powder has diffused along the intergranular boundaries after the ribbon powder was annealed at 750?C for 30?min or was hot deformed at 700750?C.

  8. ELECTRON HEAT FLUX IN THE SOLAR WIND: ARE WE OBSERVING THE COLLISIONAL LIMIT IN THE 1 AU DATA?

    SciTech Connect (OSTI)

    Landi, S.; Matteini, L.; Pantellini, F.

    2014-07-20

    Using statistically significant data at 1AU, it has recently been shown (Bale et al.) that in the solar wind, when the Knudsen number K {sub T} (the ratio between the electron mean free path and the electron temperature scale height) drops below about 0.3, the electron heat flux q intensity rapidly approaches the classical collisional Spitzer-Hrm limit. Using a fully kinetic model including the effect of Coulomb collisions and the expansion of the solar wind with heliocentric distance, we observe that the heat flux strength does indeed approach the collisional value for Knudsen numbers smaller than about 0.3 in very good agreement with the observations. However, closer inspection of the heat flux properties, such as its variation with the heliocentric distance and its dependence on the plasma parameters, shows that for Knudsen numbers between 0.02 and 0.3 the heat flux is not conveniently described by the Spitzer-Hrm formula. We conclude that even though observations at 1 AU seem to indicate that the electron heat flux intensity approaches the collisional limit when the Knudsen drops below ?0.3, the collisional limit is not a generally valid closure for a Knudsen larger than 0.01. Moreover, the good agreement between the heat flux from our model and the heat flux from solar wind measurements in the high-Knudsen number regime seems to indicate that the heat flux at 1AU is not constrained by electromagnetic instabilities as both wave-particle and wave-wave interactions are neglected in our calculations.

  9. Crystal structure and physical properties of quaternary clathrates Ba{sub 8}Zn{sub x}Ge{sub 46-x-y}Si{sub y}, Ba{sub 8}(Zn,Cu){sub x}Ge{sub 46-x} and Ba{sub 8}(Zn,Pd){sub x}Ge{sub 46-x}

    SciTech Connect (OSTI)

    Nasir, Navida; Grytsiv, Andriy; Melnychenko-Koblyuk, Nataliya; Rogl, Peter; Bednar, Ingeborg; Bauer, Ernst

    2010-10-15

    Three series of vacancy-free quaternary clathrates of type I, Ba{sub 8}Zn{sub x}Ge{sub 46-x-y}Si{sub y}, Ba{sub 8}(Zn,Cu){sub x}Ge{sub 46-x}, and Ba{sub 8}(Zn,Pd){sub x}Ge{sub 46-x}, have been prepared by reactions of elemental ingots in vacuum sealed quartz at 800 {sup o}C. In all cases cubic primitive symmetry (space group Pm3n, a{approx}1.1 nm) was confirmed for the clathrate phase by X-ray powder diffraction and X-ray single crystal analyses. The lattice parameters show a linear increase with increase in Ge for Ba{sub 8}Zn{sub x}Ge{sub 46-x-y}Si{sub y}. M atoms (Zn, Pd, Cu) preferably occupy the 6d site in random mixtures. No defects were observed for the 6d site. Site preference of Ge and Si in Ba{sub 8}Zn{sub x}Ge{sub 46-x-y}Si{sub y} has been elucidated from X-ray refinement: Ge atoms linearly substitute Si in the 24k site whilst a significant deviation from linearity is observed for occupation of the 16i site. A connectivity scheme for the phase equilibria in the 'Ba{sub 8}Ge{sub 46}' corner at 800 {sup o}C has been derived and a three-dimensional isothermal section at 800 {sup o}C is presented for the Ba-Pd-Zn-Ge system. Studies of transport properties carried out for Ba{sub 8{l_brace}}Cu,Pd,Zn{r_brace}{sub x}Ge{sub 46-x} and Ba{sub 8}Zn{sub x}Si{sub y}Ge{sub 46-x-y} evidenced predominantly electrons as charge carriers and the closeness of the systems to a metal-to-insulator transition, fine-tuned by substitution and mechanical processing of starting material Ba{sub 8}Ge{sub 43}. A promising figure of merit, ZT {approx}0.45 at 750 K, has been derived for Ba{sub 8}Zn{sub 7.4}Ge{sub 19.8}Si{sub 18.8}, where pricey germanium is exchanged by reasonably cheap silicon. - Graphical abstract: Quaternary phase diagram of Ba-Pd-Zn-Ge system at 800 {sup o}C.

  10. -delayed ?-proton decay in ??Zn: Analysis of the charged-particle spectrum

    SciTech Connect (OSTI)

    Orrigo, S. E.A.; Rubio, B.; Fujita, Y.; Blank, B.; Agramunt, J.; Algora, A.; Ascher, P.; Cceres, L.; Cakirli, R. B.; Fujita, H.; Ganio?lu, E.; Gerbaux, M.; Kozer, H. C.; Kucuk, L.; Kurtukian-Nieto, T.; Popescu, L.; Rogers, A. M.; Susoy, G.; Stodel, C.; Suzuki, T.; Tamii, A.; Thomas, J. C.

    2015-01-01

    A study of the ? decay of the proton-rich Tz = 2 nucleus ??Zn has been reported in a recent publication. A rare and exotic decay mode, ?-de-layed ?-proton decay, has been observed there for the first time in the fp shell. Here, we expand on some of the details of the data analysis, focusing on the charged particle spectrum.

  11. New acceptor centers of the background impurities in p-CdZnTe

    SciTech Connect (OSTI)

    Plyatsko, S. V. Rashkovetskyi, L. V.

    2013-07-15

    Low-temperature photoluminescence data are used to study the redistribution of the background impurities and host components of p-CdZnTe single crystals with a resistivity of 1-50 {Omega} cm upon their interaction with infrared laser radiation. The effect of widening of the band gap and the formation of new acceptor centers in response to laser-stimulated changes in the system of intrinsic defects are established. The activation energy of the new acceptor centers is determined.

  12. Magnetic fields and fluctuations in weakly Mn doped ZnGeP{sub 2}

    SciTech Connect (OSTI)

    Mengyan, P. W.; Lichti, R. L.; Baker, B. B.; Celebi, Y. G.; Catak, E.; Carroll, B. R.; Zawilski, K. T.; Schunemann, P. G.

    2014-02-21

    We report on our measurements of local and bulk magnetic features in weakly Mn doped ZnGeP{sub 2}. Utilizing muon spin rotation and relaxation measurements, we identify local ferromagnetic order and fluctuations in the local fields as sampled by an implanted muon (?{sup +}). We also report on field induced ferromagnetism occurring above the claimed paramagnetic to ferromagnetic transition temperature (T{sub c} = 312 K)

  13. Incorporation of trace elements in Portland cement clinker: Thresholds limits for Cu, Ni, Sn or Zn

    SciTech Connect (OSTI)

    Gineys, N.; Aouad, G.; Sorrentino, F.; Damidot, D.

    2011-11-15

    This paper aims at defining precisely, the threshold limits for several trace elements (Cu, Ni, Sn or Zn) which correspond to the maximum amount that could be incorporated into a standard clinker whilst reaching the limit of solid solution of its four major phases (C{sub 3}S, C{sub 2}S, C{sub 3}A and C{sub 4}AF). These threshold limits were investigated through laboratory synthesised clinkers that were mainly studied by X-ray Diffraction and Scanning Electron Microscopy. The reference clinker was close to a typical Portland clinker (65% C{sub 3}S, 18% C{sub 2}S, 8% C{sub 3}A and 8% C{sub 4}AF). The threshold limits for Cu, Ni, Zn and Sn are quite high with respect to the current contents in clinker and were respectively equal to 0.35, 0.5, 0.7 and 1 wt.%. It appeared that beyond the defined threshold limits, trace elements had different behaviours. Ni was associated with Mg as a magnesium nickel oxide (MgNiO{sub 2}) and Sn reacted with lime to form a calcium stannate (Ca{sub 2}SnO{sub 4}). Cu changed the crystallisation process and affected therefore the formation of C{sub 3}S. Indeed a high content of Cu in clinker led to the decomposition of C{sub 3}S into C{sub 2}S and of free lime. Zn, in turn, affected the formation of C{sub 3}A. Ca{sub 6}Zn{sub 3}Al{sub 4}O{sub 15} was formed whilst a tremendous reduction of C{sub 3}A content was identified. The reactivity of cements made with the clinkers at the threshold limits was followed by calorimetry and compressive strength measurements on cement paste. The results revealed that the doped cements were at least as reactive as the reference cement.

  14. Removal of Zn or Cd and cyanide from cyanide electroplating wastes

    DOE Patents [OSTI]

    Moore, Fletcher L.

    1977-05-31

    A method is described for the efficient stripping of stable complexes of a selected quaternary amine and a cyanide of Zn or Cd. An alkali metal hydroxide solution such as NaOH or KOH will quantitatively strip a pregnant extract of the quaternary ammonium complex of its metal and cyanide content and regenerate a quaternary ammonium hydroxide salt which can be used for extracting further metal cyanide values.

  15. INTERPLANETARY PROPAGATION OF SOLAR ENERGETIC PARTICLE HEAVY IONS OBSERVED AT 1 AU AND THE ROLE OF ENERGY SCALING

    SciTech Connect (OSTI)

    Mason, G. M.; Haggerty, D. K.; Li, G.; Zank, G. P.; Cohen, C. M. S.; Leske, R. A.; Mewaldt, R. A.; Desai, M. I.

    2012-12-20

    We have studied {approx}0.3 to >100 MeV nucleon{sup -1} H, He, O, and Fe in 17 large western hemisphere solar energetic particle events (SEP) to examine whether the often observed decrease of Fe/O during the rise phase is due to mixing of separate SEP particle populations, or is an interplanetary transport effect. Our earlier study showed that the decrease in Fe/O nearly disappeared if Fe and O were compared at energies where the two species interplanetary diffusion coefficient were equal, and therefore their kinetic energy nucleon{sup -1} was different by typically a factor {approx}2 ({sup e}nergy scaling{sup )}. Using an interplanetary transport model that includes effects of focusing, convection, adiabatic deceleration, and pitch angle scattering we have fit the particle spectral forms and intensity profiles over a broad range of conditions where the 1 AU intensities were reasonably well connected to the source and not obviously dominated by local shock effects. The transport parameters we derive are similar to earlier studies. Our model follows individual particles with a Monte Carlo calculation, making it possible to determine many properties and effects of the transport. We find that the energy scaling feature is preserved, and that the model is reasonably successful at fitting the magnitude and duration of the Fe/O ratio decrease. This along with successfully fitting the observed decrease of the O/He ratio leads us to conclude that this feature is best understood as a transport effect. Although the effects of transport, in particular adiabatic deceleration, are very significant below a few MeV nucleon{sup -1}, the spectral break observed in these events at 1 AU is only somewhat modified by transport, and so the commonly observed spectral breaks must be present at injection. For scattering mean free paths of the order of 0.1 AU adiabatic deceleration is so large below {approx}200 keV nucleon{sup -1} that ions starting with such energies at injection are cooled sufficiently as to be unobservable at 1 AU. Because of the complicating factors of different spectral break energies for different elements, it appears that SEP abundances determined below the break are least susceptible to systematic distortions.

  16. Temperature dependence of the photo-induced inverse spin Hall effect in Au/InP hybrid structures

    SciTech Connect (OSTI)

    Khamari, Shailesh K. Porwal, S.; Dixit, V. K.; Sharma, T. K.

    2014-01-27

    Photo-induced Inverse Spin Hall Effect (ISHE) measurements on Au/InP hybrid structures are performed over a temperature range of 45 to 300?K. Dependence of the spin current density on the degree of circular polarization and also on the angle of incidence of laser beam confirms the ISHE origin of measured signal. The magnitude of ISHE increases with sample cooling. A numerical model based on the spin relaxation of non-equilibrium spin-polarized electrons is proposed for predicting the temperature dependence of ISHE. Our results indicate that the proposed device can be used as a spin photodetector over a wide temperature range.

  17. Structural characterization of metastable hcp-Ni thin films epitaxially grown on Au(100) single-crystal underlayers

    SciTech Connect (OSTI)

    Ohtake, Mitsuru; Tanaka, Takahiro; Futamoto, Masaaki; Kirino, Fumiyoshi

    2010-05-15

    Ni(1120) epitaxial thin films with hcp structure were prepared on Au(100) single-crystal underlayers at 100 deg. C by ultra high vacuum molecular beam epitaxy. The detailed film structure is studied by in situ reflection high energy electron diffraction, x-ray diffraction, and transmission electron microscopy. The hcp-Ni film consists of two types of variants whose c-axes are rotated around the film normal by 90 deg. each other. An atomically sharp boundary is recognized between the film and the underlayer, where misfit dislocations are introduced. Presence of such dislocations seems to relieve the strain caused by the lattice mismatch between the film and the underlayer.

  18. Enhanced memory effect with embedded graphene nanoplatelets in ZnO charge trapping layer

    SciTech Connect (OSTI)

    El-Atab, Nazek; Nayfeh, Ammar; Cimen, Furkan; Alkis, Sabri; Okyay, Ali K.

    2014-07-21

    A charge trapping memory with graphene nanoplatelets embedded in atomic layer deposited ZnO (GNIZ) is demonstrated. The memory shows a large threshold voltage V{sub t} shift (4?V) at low operating voltage (6/?6?V), good retention (>10 yr), and good endurance characteristic (>10{sup 4} cycles). This memory performance is compared to control devices with graphene nanoplatelets (or ZnO) and a thicker tunnel oxide. These structures showed a reduced V{sub t} shift and retention characteristic. The GNIZ structure allows for scaling down the tunnel oxide thickness along with improving the memory window and retention of data. The larger V{sub t} shift indicates that the ZnO adds available trap states and enhances the emission and retention of charges. The charge emission mechanism in the memory structures with graphene nanoplatelets at an electric field E???5.57 MV/cm is found to be based on Fowler-Nordheim tunneling. The fabrication of this memory device is compatible with current semiconductor processing, therefore, has great potential in low-cost nano-memory applications.

  19. Thermal evaporation and condensation synthesis of metallic Zn layered polyhedral microparticles

    SciTech Connect (OSTI)

    Khan, Waheed S.; Cao, Chuanbao; Usman, Zahid; Hussain, Sajad; Nabi, Ghulam; Butt, Faheem K.; Ali, Zulfiqar; Mahmood, Tariq; Niaz, Niaz Ahmad

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer Zn polyhedral microparticles prepared by thermal evaporation and condensation route. Black-Right-Pointing-Pointer Vapour-solid process based growth model governs the formation of Zn microparticles. Black-Right-Pointing-Pointer A strong PL emission band is observed at 369 nm in UV region. Black-Right-Pointing-Pointer Radiative recombination of electrons in the s, p conduction band and the holes in the d bands causes this emission. -- Abstract: Metallic zinc layered polyhedral microparticles have been fabricated by thermal evaporation and condensation technique using zinc as precursor at 750 Degree-Sign C for 120 min and NH{sub 3} as a carrier gas. The zinc polyhedral microparticles with oblate spherical shape are observed to be 2-9 {mu}m in diameter along major axes and 1-7 {mu}m in thickness along minor axes. The structural, compositional and morphological characterizations were performed by X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDS), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and selected area electron diffraction (SAED). A vapour-solid (VS) mechanism based growth model has been proposed for the formation of Zn microparticles. Room temperature photoluminescence (PL) emission spectrum of the product exhibited a strong emission band at 369 nm attributed to the radiative recombination of electrons in the s, p conduction band near Fermi surface and the holes in the d bands generated by the optical excitation.

  20. Characterization of ZnO-degraded varistors used in high-tension devices

    SciTech Connect (OSTI)

    Ramirez, M.A.; Maniette, Y.

    2007-06-05

    The effects of the degradation process on the structural, microstructural and electrical properties of ZnO-based varistors were analyzed. Rietveld refinement showed that the BiO{sub 2-x} phase is affected by the degradation process. Besides the changes in the spinel phase, the degradation process also affects the lattice microstrain in the ZnO phase. Scanning electron microscopy analysis showed electrode-melting failure, while wavelength dispersive X-ray spectroscopy qualitative analysis showed deficiency of oxygen species at the grain boundaries in the degraded samples. Atomic force microscopy using electrostatic mode force illustrated a decrease in the charge density at the grain boundaries of the degraded sample. Transmission electron microscopy showed submicrometric spinel grains embedded in a ZnO matrix, but their average grain size is smaller in the degraded sample than in the standard one. Long pulses appeared to be more harmful for the varistors' properties than short ones, causing higher leakage current values. The electrical characteristics of the degraded sample are partially restored after heat treatment in an oxygen-rich atmosphere.

  1. Influence of valence electron concentration on Laves phases: Structures and phase stability of pseudo-binary MgZn2-xPdx

    SciTech Connect (OSTI)

    Thimmaiah, Srinivasa; Miller, Gordon J.

    2015-06-03

    A series of pseudo-binary compounds MgZn2-xPdx (0.15 ? x ? 1.0) were synthesized and structurally characterized to understand the role of valence electron concentration (vec) on the prototype Laves phase MgZn2 with Pd-substitution. Three distinctive phase regions were observed with respect to Pd content, all exhibiting fundamental Laves phase structures: 0.1 ? x ? 0.3 (MgNi2-type, hP24; MgZn1.80Pd0.20(2)), 0.4 ? x ? 0.6 (MgCu2-type, cF24; MgZn1.59Pd0.41(2)), and 0.62 ? x ? 0.8 (MgZn2-type, hP12: MgZn1.37Pd0.63(2)). Refinements from single-crystal X-ray diffraction indicated nearly statistical distributions of Pd and Zn atoms among the majority atom sites in these structures. Interestingly, the MgZn2-type structure re-emerges in MgZn2xPdx at x ? 0.7 with the refined composition MgZn1.37(2)Pd0.63 and a c/a ratio of 1.59 compared to 1.64 for binary MgZn2. Electronic structure calculations on a model MgZn1.25Pd0.75 yielded a density of states (DOS) curve showing enhancement of a pseudogap at the Fermi level as a result of electronic stabilization due to the Pd addition. Moreover, integrated crystal orbital Hamilton population values show significant increases of orbital interactions for (Zn,Pd)(Zn,Pd) atom pairs within the majority atom substructure, i.e., within the Kagom nets as well as between a Kagom net and an apical site, from binary MgZn2 to the ternary MgZn1.25Pd0.75. Multi-centered bonding is evident from electron localization function plots for MgZn1.25Pd0.75, an outcome which is in accordance with analysis of other Laves phases.

  2. Influence of valence electron concentration on Laves phases: Structures and phase stability of pseudo-binary MgZn2-xPdx

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Thimmaiah, Srinivasa; Miller, Gordon J.

    2015-06-03

    A series of pseudo-binary compounds MgZn2-xPdx (0.15 ≤ x ≤ 1.0) were synthesized and structurally characterized to understand the role of valence electron concentration (vec) on the prototype Laves phase MgZn2 with Pd-substitution. Three distinctive phase regions were observed with respect to Pd content, all exhibiting fundamental Laves phase structures: 0.1 ≤ x ≤ 0.3 (MgNi2-type, hP24; MgZn1.80Pd0.20(2)), 0.4 ≤ x ≤ 0.6 (MgCu2-type, cF24; MgZn1.59Pd0.41(2)), and 0.62 ≤ x ≤ 0.8 (MgZn2-type, hP12: MgZn1.37Pd0.63(2)). Refinements from single-crystal X-ray diffraction indicated nearly statistical distributions of Pd and Zn atoms among the majority atom sites in these structures. Interestingly, the MgZn2-typemore » structure re-emerges in MgZn2–xPdx at x ≈ 0.7 with the refined composition MgZn1.37(2)Pd0.63 and a c/a ratio of 1.59 compared to 1.64 for binary MgZn2. Electronic structure calculations on a model “MgZn1.25Pd0.75” yielded a density of states (DOS) curve showing enhancement of a pseudogap at the Fermi level as a result of electronic stabilization due to the Pd addition. Moreover, integrated crystal orbital Hamilton population values show significant increases of orbital interactions for (Zn,Pd)–(Zn,Pd) atom pairs within the majority atom substructure, i.e., within the Kagomé nets as well as between a Kagomé net and an apical site, from binary MgZn2 to the ternary “MgZn1.25Pd0.75”. Multi-centered bonding is evident from electron localization function plots for “MgZn1.25Pd0.75”, an outcome which is in accordance with analysis of other Laves phases.« less

  3. Centrality-dependent direct photon p{sub t} spectra in Au+Au collisions at the BNL Relativistic Heavy Ion Collider (RHIC) energy {radical}(s{sub NN})=200 GeV

    SciTech Connect (OSTI)

    Liu Fuming; Zhu Yan; Hirano, Tetsufumi; Werner, Klaus

    2009-01-15

    We calculate the centrality dependence of transverse momentum (p{sub t}) spectra for direct photons in Au+Au collisions at the BNL Relativistic Heavy Ion Collider (RHIC) energy {radical}(s{sub NN})=200 GeV, based on a realistic data-constrained (3+1)-dimensional hydrodynamic description of the expanding hot and dense matter, a reasonable treatment of the propagation of partons and their energy loss in the fluid, and a systematic study of the main sources of direct photons. The resultant p{sub t} spectra agree with recent PHENIX data in a broad p{sub t} range. The competition among the different direct photon sources is investigated at various centralities. Parton energy loss in the plasma is considered for photons from fragmentation and jet-photon conversion, which causes about 40% decrease in the total contribution. In the high p{sub t} region, the observed R{sub AA} of photons is centrality independent at the accuracy of 5% based on a realistic treatment of energy loss. We also link the different behavior of R{sub AA} for central and peripheral collisions, in the low p{sub t} region, to the fact that the plasma in central collisions is hotter than that in peripheral ones.

  4. Real-structure effects: Band gaps of Mg_xZn_{1-x}O, Cd_xZn_{1-x}O, and n-type ZnO from ab-initio calculations

    SciTech Connect (OSTI)

    Schleife, A; Bechstedt, F

    2012-02-15

    Many-body perturbation theory is applied to compute the quasiparticle electronic structures and the optical-absorption spectra (including excitonic effects) for several transparent conducting oxides. We discuss HSE+G{sub 0}W{sub 0} results for band structures, fundamental band gaps, and effective electron masses of MgO, ZnO, CdO, SnO{sub 2}, SnO, In{sub 2}O{sub 3}, and SiO{sub 2}. The Bethe-Salpeter equation is solved to account for excitonic effects in the calculation of the frequency-dependent absorption coefficients. We show that the HSE+G{sub 0}W{sub 0} approach and the solution of the Bethe-Salpeter equation are very well-suited to describe the electronic structure and the optical properties of various transparent conducting oxides in good agreement with experiment.

  5. The new barium zinc mercurides Ba{sub 3}ZnHg{sub 10} and BaZn{sub 0.6}Hg{sub 3.4} - Synthesis, crystal and electronic structure

    SciTech Connect (OSTI)

    Schwarz, Michael; Wendorff, Marco; Roehr, Caroline

    2012-12-15

    The title compounds Ba{sub 3}ZnHg{sub 10} and BaZn{sub 0.6}Hg{sub 3.4} were synthesized from stoichiometric ratios of the elements in Ta crucibles. Their crystal structures, which both represent new structure types, have been determined using single crystal X-ray data. The structure of Ba{sub 3}ZnHg{sub 10} (orthorhombic, oP28, space group Pmmn, a=701.2(3), b=1706.9(8), c=627.3(3)pm, Z=2, R1=0.0657) contains folded 4{sup 4} Hg nets, where the meshes form the bases of flat rectangular pyramids resembling the structure of BaAl{sub 4}. The flat pyramids are connected via Hg-Zn/Hg bonds, leaving large channels at the folds, in which Ba(1) and Hg(2) atoms alternate. Whereas the remaining Hg/Zn atoms form a covalent 3D network of three- to five-bonded atoms with short M-M distances (273-301 pm; CN 9-11), the Hg(2) atoms in the channels adopt a comparatively large coordination number of 12 and increased distances (317-348 pm) to their Zn/Hg neighbours. In the structure of BaZn{sub 0.6}Hg{sub 3.4} (cubic, cI320, space group I4{sup Macron }3d, a=2025.50(7) pm, Z=64, R1=0.0440), with a chemical composition not much different from that of Ba{sub 3}ZnHg{sub 10}, the Zn/Hg atoms of the mixed positions M(1/2) are arranged in an slightly distorted primitive cubic lattice with a 4 Multiplication-Sign 4 Multiplication-Sign 4 subcell relation to the unit cell. The 24 of the originating 64 cubes contain planar cis tetramers Hg(5,6){sub 4} with Hg in a nearly trigonal planar or tetrahedral coordination. In another 24 of the small cubes, two opposing faces are decorated by Hg(3,4){sub 2} dumbbells, two by Ba(2) atoms respectively. The third type of small cubes are centered by Ba(1) atoms only. The complex 3D polyanionic Hg/Zn network thus formed is compared with the Hg partial structure in Rb{sub 3}Hg{sub 20} applying a group-subgroup relation. Despite their different overall structures, the connectivity of the negatively charged Hg atoms, the rather metallic Zn bonding characteristic (as obtained from FP-LAPW band structure calculations) and the coordination number of 16 for all Ba cations relate the two title compounds. - Graphical abstract: Six of the 64 small sub-cubes of three types (A, B, C) forming the unit cell of the Hg-rich mercuride BaZn{sub 0.6}Hg{sub 3.4}. Highlights: Black-Right-Pointing-Pointer Two new Hg-rich Ba mercurides, both synthesized from the elements in pure phase. Black-Right-Pointing-Pointer BaZn{sub 0.6}HgG{sub 3.4} and Ba{sub 3}ZnHg{sub 10} with new complex structure types. Black-Right-Pointing-Pointer Structure relation to other complex cubic intermetallics. Black-Right-Pointing-Pointer Discussion of covalent and metallic bonding aspects, as found by the structure features and band structure calculations.

  6. Enhanced T-lymphocyte blastogenic response to tuberculin (PPD) in children of northeast (NE) Thailand supplemented with vitamin A (VA) and zinc (Zn)

    SciTech Connect (OSTI)

    Kramer, T.R.; Udomkesmalee, E.; Dhanamitta, S.; Sirisinha, S.; Charoenkiatkul, S.; Tantipopipat, S.; Banjong, O.; Rojroongwasinkul, N.; Smith, J.C. Jr. Mahidol Univ., Nakhon Pathom )

    1991-03-15

    Beneficial effects of Va and/or Zn supplementation of children in NE Thailand are described in a companion abstract. In the same study, blastogenic response (BR) of T-lymphocytes to concanavalin-A (ConA) and PPD were assayed in cultures containing mononuclear cells (MNC) or whole blood (WB). Methods were previously described. Children were previously vaccinated with BCG. BR to ConA of MNC or WB from children supplemented with VA, Zn, VA + Zn or placebo were similar. BR to PPD of MNC was higher in children receiving VA + Zn than placebo, but not in children supplemented with VA or Zn alone. Data indicate that children with suboptimal VA and Zn nutriture supplemented with < 2 times RDA of these nutrients showed enhanced cellular immunity to PPD. This observation is relevant to BCG immunization program and thus may benefit public health.

  7. Synthesis of methanol and dimethyl ether from syngas over Pd/ZnO/Al2O3 catalysts

    SciTech Connect (OSTI)

    Lebarbier, Vanessa M.; Dagle, Robert A.; Kovarik, Libor; Lizarazo-Adarme, Jair A.; King, David L.; Palo, Daniel R.

    2012-01-01

    A Pd/ZnO/Al2O3 catalyst was developed for the synthesis of methanol and dimethyl ether (DME) from syngas. Studied were temperatures of operation ranging from 250C to 380C. High temperatures (e.g. 380C) are necessary when combining methanol and DME synthesis with a methanol to gasoline (MTG) process in a single reactor bed. A commercial Cu/ZnO/Al2O3 catalyst, utilized industrially for the synthesis of methanol at 220-280C, suffers from a rapid deactivation when the reaction is conducted at high temperature (>320C). On the contrary, a Pd/ZnO/Al2O3 catalyst was found to be highly stable for methanol and DME synthesis at 380C. The Pd/ZnO/Al2O3 catalyst was thus further investigated for methanol and DME synthesis at P=34-69 bars, T= 250-380C, GHSV= 5 000-18 000 h-1, and molar feeds H2/CO= 1, 2, and 3. Selectivity to DME increased with decreasing operating temperature, and increasing operating pressure. Increased GHSVs and H2/CO syngas feed ratios also enhanced DME selectivity. Undesirable CH4 formation was observed, however, can be minimized through choice of process conditions and by catalyst design. By studying the effect of the Pd loading and the Pd:Zn molar ratio the formulation of the Pd/ZnO/Al2O3 catalyst was optimized. A catalyst with 5% Pd and a Pd:Zn molar ratio of 0.25:1 has been identified as the preferred catalyst. Results indicate that PdZn particles are more active than Pd particles for the synthesis of methanol and less active for CH4 formation. A correlation between DME selectivity and the concentration of acid sites of the catalysts has been established. Hence, two types of sites are required for the direct conversion of syngas to DME: 1) PdZn particles are active for the synthesis of methanol from syngas, and 2) acid sites which are active for the conversion of methanol to DME. Additionally, CO2 formation was problematic as PdZn was found to be active for the water-gas-shift (WGS) reaction, under all the conditions evaluated.

  8. The effect of Cu/Zn molar ratio on CO{sub 2} hydrogenation over Cu/ZnO/ZrO{sub 2}/Al{sub 2}O{sub 3} catalyst

    SciTech Connect (OSTI)

    Shaharun, Salina E-mail: maizats@petronas.com.my; Shaharun, Maizatul S. E-mail: maizats@petronas.com.my; Taha, Mohd F.; Mohamad, Dasmawati

    2014-10-24

    Catalytic hydrogenation of carbon dioxide (CO{sub 2}) to methanol is an attractive way to recycle and utilize CO{sub 2}. A series of Cu/ZnO/Al{sub 2}O{sub 3}/ZrO{sub 2} catalysts (CZAZ) containing different molar ratios of Cu/Zn were prepared by the co-precipitation method and investigated in a stirred slurry autoclave system. The catalysts were characterized by temperature-programmed reduction (TPR), field emission scanning electron microscopy-energy dispersive analysis (FESEM-EDX), X-ray diffraction (XRD) and N{sub 2} adsorption-desorption. Higher surface area, SA{sub BET} values (42.659.9 m{sup 2}/g) are recorded at low (1) and high (5) Cu/Zn ratios with the minimum value of 35.71 m{sup 2}/g found for a Cu/Zn of 3. The reducibility of the metal oxides formed after calcination of catalyst samples was also affected due to change in metal-support interaction. At a low reaction temperature of 443 K, total gas pressure of 3.0 MPa and 0.1 g/mL of the CZAZ catalyst, the selectivity to methanol decreased as the Cu/Zn molar ratio increased, and the maximum selectivity of 67.73 was achieved at Cu/Zn molar ratio of 1. With a reaction time of 3h, the best performing catalyst was CZAZ75 with Cu/Zn molar ratio of 5 giving methanol yield of 79.30%.

  9. Investigation of the Effect of I-ZnO Window Layer on the Device Performance of the Cd-Free CIGS Based Solar Cells: Preprint

    SciTech Connect (OSTI)

    Hasoon, F. S.; Al-Thani, H. A.; Li, X.; Kanevce, A.; Perkins, C.; Asher, S.

    2008-05-01

    This paper focuses on preparing Cd-free, CIGS-based solar cells with intrinsic high resistivity ZnO (I-ZnO) films deposited by metal-organic chemical vapor deposition (MOCVD) technique at different deposition substrate temperature and I-ZnO film thickness, and the effect of the prior treatment of CIGS films by ammonium hydroxide (NH4OH) diluted solution on the device performance.

  10. Synthesis of ZnO nanorodnanosheet composite via facile hydrothermal method and their photocatalytic activities under visible-light irradiation

    SciTech Connect (OSTI)

    Tan, Wai Kian; Abdul Razak, Khairunisak; Lockman, Zainovia; Kawamura, Go; Muto, Hiroyuki; Matsuda, Atsunori

    2014-03-15

    ZnO composite films consisting of ZnO nanorods and nanosheets were prepared by low-temperature hydrothermal processing at 80 C on seeded glass substrates. The seed layer was coated on glass substrates by solgel dip-coating and pre-heated at 300 C for 10 min prior to hydrothermal growth. The size of the grain formed after pre-heat treatment was ?40 nm. A preferred orientation seed layer at the c-axis was obtained, which promoted vertical growth of the ZnO nanorod arrays and formation of the ZnO nanosheets. X-ray diffraction patterns and high-resolution transmission electron microscope (HR-TEM) images confirmed that the ZnO nanorods and nanosheets consist of single crystalline and polycrystalline structures, respectively. Room temperature photoluminescence spectra of the ZnO nanorodnanosheet composite films exhibited band-edge ultraviolet (UV) and visible emission (blue and green) indicating the formation of ZnO crystals with good crystallinity and are supported by Raman scattering results. The formation of one-dimensional (1D) ZnO nanorod arrays and two-dimensional (2D) ZnO nanosheet films using seeded substrates in a single low-temperature hydrothermal step would be beneficial for realization of device applications that utilize substrates with limited temperature stability. The ZnO nanorods and nanosheets composite structure demonstrated higher photocatalytic activity during degradation of aqueous methylene blue under visible-light irradiation. -- Graphical abstract: Schematic illustration of ZnO nanorodnanosheet composite structure formation by hydrothermal at low-temperature of 80 C against time. Highlights: Novel simultaneous formation of ZnO nanorods and nanosheets composite structure. Facile single hydrothermal step formation at low-temperature. Photoluminescence showed ultraviolet and visible emission. Feasible application on substrates with low temperature stability. Improved photocatalytic activity under visible-light irradiation.

  11. Determination of redox reaction rates and orders by in situ liquid cell electron microscopy of Pd and Au solution growth

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sutter, Eli A.; Sutter, Peter W.

    2014-11-19

    In-situ liquid cell transmission and scanning transmission electron microscopy (TEM/STEM) experiments are important as they provide direct insight into processes in liquids, such as solution growth of nanoparticles among others. In liquid cell TEM/STEM redox reaction experiments the hydrated electrons e⁻aq created by the electron beam are responsible for the reduction of metal-ion complexes. Here we investigate the rate equation of redox reactions involving reduction by e⁻aq generated by the electron beam during in-situ liquid TEM/STEM. Specifically we consider the growth of Pd on Au seeds in aqueous solutions containing Pd-chloro complexes. From the quantification of the rate of Pdmore » deposition at different electron beam currents and as a function of distance from a stationary, nanometer-sized exciting beam, we determine that the reaction is first order with respect to the concentration of hydrated electrons, [e⁻aq]. In addition, by comparing Pd- and Au-deposition, we further demonstrate that measurements of the local deposition rate on nanoparticles in the solution via real-time imaging can be used to measure not only [e⁻aq] but also the rate of reduction of a metal-ion complex to zero-valent metal atoms in solution.« less

  12. Determination of redox reaction rates and orders by in situ liquid cell electron microscopy of Pd and Au solution growth

    SciTech Connect (OSTI)

    Sutter, Eli A.; Sutter, Peter W.

    2014-11-19

    In-situ liquid cell transmission and scanning transmission electron microscopy (TEM/STEM) experiments are important as they provide direct insight into processes in liquids, such as solution growth of nanoparticles among others. In liquid cell TEM/STEM redox reaction experiments the hydrated electrons e?aq created by the electron beam are responsible for the reduction of metal-ion complexes. Here we investigate the rate equation of redox reactions involving reduction by e?aq generated by the electron beam during in-situ liquid TEM/STEM. Specifically we consider the growth of Pd on Au seeds in aqueous solutions containing Pd-chloro complexes. From the quantification of the rate of Pd deposition at different electron beam currents and as a function of distance from a stationary, nanometer-sized exciting beam, we determine that the reaction is first order with respect to the concentration of hydrated electrons, [e?aq]. In addition, by comparing Pd- and Au-deposition, we further demonstrate that measurements of the local deposition rate on nanoparticles in the solution via real-time imaging can be used to measure not only [e?aq] but also the rate of reduction of a metal-ion complex to zero-valent metal atoms in solution.

  13. Structural Changes in Self-Catalyzed Adsorption of Carbon Monoxide on 1,4-Phenylene Diisocyanide Modified Au(111)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kestell, John; Boscoboinik, J. Anibal; Cheng, Lanxia; Garvey, Michael; Bennett, Dennis W.; Tysoe, Wilfred T.

    2015-07-23

    The self-accelerated adsorption of CO on 1,4-phenylene diisocyanide (PDI)-derived oligomers on Au(111) is explored by reflection–absorption infrared spectroscopy and scanning tunneling microscopy. PDI incorporates gold adatoms from the Au(111) surface to form one-dimensional —(Au–PDI)n— chains that can also connect between gold nanoparticles on mica to form a conductive pathway between them. CO adsorption occurs in two stages; it first adsorbs adjacent to the oligomers that move to optimize CO adsorption. Further CO exposure induces PDI decoordination to form Au–PDI adatom complexes thereby causing the conductivity of a PDI-linked gold nanoparticle array on mica to decrease to act as a chemicallymore » drive molecular switch. This simple system enables the adsorption process to be explored in detail. DFT calculations reveal that both the —(Au–PDI)n— oligomer chain and the Au–PDI adatom complex are stabilized by coadsorbed CO. A kinetic “foot-in-the-door” model is proposed in which fluctuations in PDI coordination allow CO to diffuse into the gap between gold adatoms to prevent the PDI from reattaching, thereby allowing additional CO to adsorb, to provide kinetic model for allosteric CO adsorption on PDI-covered gold.« less

  14. Exceptional enhancement of H{sub 2} production in alkaline environment over plasmonic Au/TiO{sub 2} photocatalyst under visible light

    SciTech Connect (OSTI)

    Meng, Xianguang; Liu, Guigao; Yu, Qing; Wang, Tao; Chang, Kun; Li, Peng; Liu, Lequan E-mail: Lequan.Liu@tju.edu.cn; Ye, Jinhua E-mail: Lequan.Liu@tju.edu.cn

    2015-10-01

    A reaction environment modulation strategy was employed to promote the H{sub 2} production over plasmonic Au/semiconductor composites. It is shown that the fast consumption of the holes in plasmonic Au nanoparticles by methanol in alkaline reaction environment remarkably increases H{sub 2} generation rate under visible light. The photocatalytic reaction is mainly driven by the interband transition of plasmonic Au nanoparticles, and the apparent quantum efficiency of plasmon-assisted H{sub 2} production at pH 14 reaches 6% at 420 nm. The reaction environment control provides a simple and effective way for the highly efficient solar fuel production from biomass reforming through plasmonic photocatalysis in future.

  15. Room temperature atomic layerlike deposition of ZnS on organic thin films: Role of substrate functional groups and precursors

    SciTech Connect (OSTI)

    Shi, Zhiwei; Walker, Amy V.

    2015-09-15

    The room temperature atomic layerlike deposition (ALLD) of ZnS on functionalized self-assembled monolayers (SAMs) was investigated, using diethyl zinc (DEZ) and in situ generated H{sub 2}S as reactants. Depositions on SAMs with three different terminal groups, –CH{sub 3,} –OH, and –COOH, were studied. It was found that the reaction of DEZ with the SAM terminal group is critical in determining the film growth rate. Little or no deposition is observed on –CH{sub 3} terminated SAMs because DEZ does not react with the methyl terminal group. ZnS does deposit on both –OH and –COOH terminated SAMs, but the grow rate on –COOH terminated SAMs is ∼10% lower per cycle than on –OH terminated SAMs. DEZ reacts with the hydroxyl group on –OH terminated SAMs, while on –COOH terminated SAMs it reacts with both the hydroxyl and carbonyl bonds of the terminal groups. The carbonyl reaction is found to lead to the formation of ketones rather than deposition of ZnS, lowering the growth rate on –COOH terminated SAMs. SIMS spectra show that both –OH and –COOH terminated SAMs are covered by the deposited ZnS layer after five ALLD cycles. In contrast to ZnO ALLD where the composition of the film differs for the first few layers on –COOH and –OH terminated SAMs, the deposited film composition is the same for both –COOH and –OH terminated SAMs. The deposited film is found to be Zn-rich, suggesting that the reaction of H{sub 2}S with the Zn-surface adduct may be incomplete.

  16. CdSe/ZnSe quantum dot structures grown by molecular beam epitaxy with a CdTe submonolayer stressor

    SciTech Connect (OSTI)

    Sedova, I. V. Lyublinskaya, O. G.; Sorokin, S. V.; Sitnikova, A. A.; Toropov, A. A.; Donatini, F.; Dang, Si Le; Ivanov, S. V.

    2007-11-15

    A procedure for formation of CdSe quantum dots (QDs) in a ZnSe matrix is suggested. The procedure is based on the introduction of a CdTe submonolayer stressor deposited on the matrix surface just before deposition of the material of the QDs. (For CdTe/ZnSe structure, the relative lattice mismatch is {delta}a/a {approx} 14%.) The stressor forms small strained islands at the ZnSe surface, thus producing local fields of high elastic stresses controlling the process of the self-assembling of the QDs. According to the data of transmission electron microscopy, this procedure allows a considerable increase in the surface density of QDs, with a certain decrease in their lateral dimensions (down to 4.5 {+-} 1.5 nm). In the photoluminescence spectra, a noticeable ({approx}150 meV) shift of the peak to longer wavelengths from the position of the reference CdSe/ZnSe QD structure is observed. The shift is due to some transformation of the morphology of the QDs and an increase in the Cd content in the QDs. Comprehensive studies of the nanostructures by recording and analyzing the excitation spectra of photoluminescence, the time-resolved photoluminescence spectra, and the cathodoluminescence spectra show that the emission spectra involve two types of optical transitions, namely, the type-I transitions in the CdSeTe/ZnSe QDs and the type-II transitions caused mainly by the low cadmium content (Zn,Cd)(Se,Te)/ZnSe layer formed between the QDs.

  17. Dual nature of 3 d electrons in YbT 2 Zn 20 (T = Co; Fe) evidenced by electron spin resonance

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ivanshin, V. A.; Litvinova, T. O.; Gimranova, K.; Sukhanov, A. A.; Jia, S.; Bud'ko, S. L.; Canfield, P. C.

    2015-03-18

    The electron spin resonance experiments were carried out in the single crystals YbFe2Zn20. The observed spin dynamics is compared with that in YbCo2Zn20 and Yb2Co12P7 as well as with the data of inelastic neutron scattering and electronic band structure calculations. Our results provide direct evidence that 3d electrons are itinerant in YbFe2Zn20 and localized in YbCo2Zn20. Possible connection between spin paramagnetism of dense heavy fermion systems, quantum criticality effects, and ESR spectra is discussed.

  18. Effect of annealing treatment on the electrical characteristics of Pt/Cr-embedded ZnO/Pt resistance random access memory devices

    SciTech Connect (OSTI)

    Chang, Li-Chun; Kao, Hsuan-Ling; Liu, Keng-Hao

    2014-03-15

    ZnO/Cr/ZnO trilayer films sandwiched with Pt electrodes were prepared for nonvolatile resistive memory applications. The threshold voltage of a ZnO device embedded with a 3-nm Cr interlayer was approximately 50% lower than that of a ZnO monolayer device. This study investigated threshold voltage as a function of Cr thickness. Both the ZnO monolayer device and the Cr-embedded ZnO device structures exhibited resistance switching under electrical bias both before and after rapid thermal annealing (RTA) treatment, but resistive switching effects in the two cases exhibited distinct characteristics. Compared with the as-fabricated device, the memory cell after RTA demonstrated remarkable device parameter improvements, including a lower threshold voltage, a lower write current, and a higher R{sub off}/R{sub on} ratio. Both transmission electron microscope observations and Auger electron spectroscopy revealed that the Cr charge trapping layer in Cr-embedded ZnO dispersed uniformly into the storage medium after RTA, and x-ray diffraction and x-ray photoelectron spectroscopy analyses demonstrated that the Cr atoms lost electrons to become Cr{sup 3+} ions after dispersion. These results indicated that the altered status of Cr in ZnO/Cr/ZnO trilayer films during RTA treatment was responsible for the switching mechanism transition.

  19. Hydrogen induced electric conduction in undoped ZnO and Ga-doped ZnO thin films: Creating native donors via reduction, hydrogen donors, and reactivating extrinsic donors

    SciTech Connect (OSTI)

    Akazawa, Housei

    2014-09-01

    The manner in which hydrogen atoms contribute to the electric conduction of undoped ZnO and Ga-doped ZnO (GZO) films was investigated. Hydrogen atoms were permeated into these films through annealing in an atmospheric H{sub 2} ambient. Because the creation of hydrogen donors competes with the thermal annihilation of native donors at elevated temperatures, improvements to electric conduction from the initial state can be observed when insulating ZnO films are used as samples. While the resistivity of conductive ZnO films increases when annealing them in a vacuum, the degree of increase is mitigated when they are annealed in H{sub 2}. Hydrogenation of ZnO crystals was evidenced by the appearance of OH absorption signals around a wavelength of 2700?nm in the optical transmittance spectra. The lowest resistivity that was achieved by H{sub 2} annealing was limited to 12??10{sup ?2} ? cm, which is one order of magnitude higher than that by native donors (23??10{sup ?3} ? cm). Hence, all native donors are converted to hydrogen donors. In contrast, GZO films that have resistivities yet to be improved become more conductive after annealing in H{sub 2} ambient, which is in the opposite direction of GZO films that become more resistive after vacuum annealing. Hydrogen atoms incorporated into GZO crystals should assist in reactivating Ga{sup 3+} donors.

  20. Sulfur Tolerant Pd/Cu and Pd/Au Alloy Membranes for H2 Separation with High Pressure CO2 for Sequestration

    SciTech Connect (OSTI)

    Yi Hua Ma; Natalie Pomerantz; Chao-Huang Chen

    2008-09-30

    The effect of H{sub 2}S poisoning on Pd, Pd/Cu, and Pd/Au alloy composite membranes prepared by the electroless deposition method on porous Inconel supports was investigated to provide a fundamental understanding of the durability and preparation of sulfur tolerant membranes. X-ray photoelectron spectroscopy (XPS) studies showed that the exposure of pure Pd to 50 ppm H{sub 2}S/H{sub 2} mixtures caused bulk sulfide formation at lower temperatures and surface sulfide formation at higher temperatures. Lower temperatures, longer exposure times, and higher H{sub 2}S concentrations resulted in a higher degree of sulfidation. In a Pd membrane, the bulk sulfide formation caused a drastic irrecoverable H{sub 2} permeance decline and an irreparable loss in selectivity. Pd/Cu and Pd/Au alloy membranes exhibited permeance declines due to surface sulfide formation upon exposure to 50 ppm H{sub 2}S/H{sub 2} gas mixtures. However in contrast to the pure Pd membrane, the permeances of the Pd/Cu and Pd/Au alloy membranes were mostly recovered in pure H{sub 2} and the selectivity of the Pd alloy layers remained essentially intact throughout the characterization in H{sub 2}, He and H{sub 2}S/H{sub 2} mixtures which lasted several thousand hours. The amount of irreversible sulfur poisoning decreased with increasing temperature due to the exothermicity of H{sub 2}S adsorption. Longer exposure times increased the amount of irreversible poisoning of the Pd/Cu membrane but not the Pd/Au membrane. Pd/Au coupon studies of the galvanic displacement method showed that higher Au{sup 3+} concentrations, lower pH values, higher bath temperatures and stirring the bath at a rate of 200 rpm yielded faster displacement rates, more uniform depositions, and a higher Au content within the layers. While 400 C was found to be sufficient to form a Pd/Au alloy on the surface, high temperature X-ray diffraction (HTXRD) studies showed that even after annealing between 500-600 C, the Pd/Cu alloys could have part or all of the surface in the less sulfur resistant {beta} phase.

  1. Deep-level emission in ZnO nanowires and bulk crystals: Excitation-intensity dependence versus crystalline quality

    SciTech Connect (OSTI)

    Hou, Dongchao; Voss, Tobias; Ronning, Carsten; Menzel, Andreas; Zacharias, Margit

    2014-06-21

    The excitation-intensity dependence of the excitonic near-band-edge emission (NBE) and deep-level related emission (DLE) bands in ZnO nanowires and bulk crystals is studied, which show distinctly different power laws. The behavior can be well explained with a rate-equation model taking into account deep donor and acceptor levels with certain capture cross sections for electrons from the conduction band and different radiative lifetimes. In addition, a further crucial ingredient of this model is the background n-type doping concentration inherent in almost all ZnO single crystals. The interplay of the deep defects and the background free-electron concentration in the conduction band at room temperature reproduces the experimental results well over a wide range of excitation intensities (almost five orders of magnitude). The results demonstrate that for many ZnO bulk samples and nanostructures, the relative intensity R?=?I{sub NBE}/I{sub DLE} can be adjusted over a wide range by varying the excitation intensity, thus, showing that R should not be taken as an indicator for the crystalline quality of ZnO samples unless absolute photoluminescence intensities under calibrated excitation conditions are compared. On the other hand, the results establish an all-optical technique to determine the relative doping levels in different ZnO samples by measuring the excitation-intensity dependence of the UV and visible luminescence bands.

  2. Effects of graphene oxide concentration on optical properties of ZnO/RGO nanocomposites and their application to photocurrent generation

    SciTech Connect (OSTI)

    Azarang, Majid, E-mail: azarangmajid@gmail.com, E-mail: azarang@phys.usb.ac.ir [Low Dimensional Materials Research Center, Department of Physics, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Department of Physics, University of Sistan and Baluchestan, 98135-674 Zahedan (Iran, Islamic Republic of); Shuhaimi, Ahmad; Sookhakian, M. [Low Dimensional Materials Research Center, Department of Physics, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Yousefi, Ramin, E-mail: Yousefi.ramin@gmail.com, E-mail: raminyousefi@iaumis.ac.ir [Department of Physics, Masjed-Soleiman Branch, Islamic Azad University (I.A.U), Masjed-Soleiman (Iran, Islamic Republic of)

    2014-08-28

    The effects of different concentrations of graphene oxide (GO) on the structure and optical properties of ZnO nanoparticles (NPs) were investigated. The nanocomposites were synthesized via the sol-gel method in a gelatin medium. X-ray diffraction patterns (XRD) and Fourier transform infrared spectroscopy indicated that the GO sheets were reduced and changed to reduced GO (RGO) during the calcination of the nanocomposites at 400?C. In addition, the XRD patterns of the NPs indicated a hexagonal (wurtzite) structure for all the products. Microscopic studies showed that the NPs were decorated and dispersed on the RGO sheets very well. However, these studies revealed that the RGO concentration had an effect on the crystal growth process for the ZnO NPs. Furthermore, these studies showed that the NPs could be grown with a single crystal quality in an optimum RGO concentration. According to the XRD results that were obtained from pure ZnO NPs, the calcinations temperature was decreased by the RGO. UVvis and room temperature photoluminescence studies showed that the optical properties of the ZnO/RGO nanocomposite were affected by the RGO concentration. Finally, the obtained ZnO/RGO nanocomposite was used to generate a photocurrent. Observations showed that the photocurrent intensity of the nanocomposite was significantly increased by increasing the RGO, with an optimum RGO concentration.

  3. Magnetic properties of GdT2Zn20 (T = Fe, Co) investigated by x-ray diffraction and spectroscopy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    J. R. L. Mardegan; Fabbris, G.; Francoual, S.; Veiga, L. S. I.; Strempfer, J.; Haskel, D.; Ribeiro, R. A.; Avila, M. A.; Giles, C.

    2016-01-26

    In this study, we investigate the magnetic and electronic properties of the GdT2Zn20 (T=Fe and Co) compounds using x-ray resonant magnetic scattering (XRMS), x-ray absorption near-edge structure (XANES), and x-ray magnetic circular dichroism (XMCD). The XRMS measurements reveal that GdCo2Zn20 has a commensurate antiferromagnetic spin structure with a magnetic propagation vector →/τ = (12,12,12) below the Néel temperature (TN ~ 5.7 K). Only the Gd ions carry a magnetic moment forming an antiferromagnetic structure with magnetic representation Γ6. For the ferromagnetic GdFe2Zn20 compound, an extensive investigation was performed at low temperature and under magnetic field using XANES and XMCD. Amore » strong XMCD signal of about 12.5% and 9.7% is observed below the Curie temperature (TC ~ 85K) at the Gd L2 and L3 edges, respectively. In addition, a small magnetic signal of about 0.06% of the jump is recorded at the Zn K edge, suggesting that the Zn 4p states are spin polarized by the Gd 5d extended orbitals.« less

  4. Microstructure evolution of Al/Mg butt joints welded by gas tungsten arc with Zn filler metal

    SciTech Connect (OSTI)

    Liu Fei; Zhang Zhaodong; Liu Liming, E-mail: liulm@dlut.edu.cn

    2012-07-15

    Based on the idea of alloying welding seam, Gas tungsten arc welding method with pure Zn filler metal was chosen to join Mg alloy and Al alloy. The microstructures, phases, element distribution and fracture morphology of welding seams were examined. The results indicate that there was a transitional zone in the width of 80-100 {mu}m between the Mg alloy substrate and fusion zone. The fusion zone was mainly composed of MgZn{sub 2}, Zn-based solid solution and Al-based solid solution. The welding seam presented distinct morphology in different location owning to the quite high cooling rate of the molten pool. The addition of Zn metal could prevent the formation of Mg-Al intermetallics and form the alloyed welding seam during welding. Therefore, the tensile strengths of joints have been significantly improved compared with those of gas tungsten arc welded joints without Zn metal added. Highlights: Black-Right-Pointing-Pointer Mg alloy AZ31B and Al alloy 6061 are welded successfully. Black-Right-Pointing-Pointer Zinc wire is employed as a filler metal to form the alloyed welding seam. Black-Right-Pointing-Pointer An alloyed welding seam is benefit for improving of the joint tensile strength.

  5. MoS{sub 2}@ZnO nano-heterojunctions with enhanced photocatalysis and field emission properties

    SciTech Connect (OSTI)

    Tan, Ying-Hua; Yu, Ke Li, Jin-Zhu; Fu, Hao; Zhu, Zi-Qiang

    2014-08-14

    The molybdenum disulfide (MoS{sub 2})@ZnO nano-heterojunctions were successfully fabricated through a facile three-step synthetic process: prefabrication of the ZnO nanoparticles, the synthesis of MoS{sub 2} nanoflowers, and the fabrication of MoS{sub 2}@ZnO heterojunctions, in which ZnO nanoparticles were uniformly self-assembled on the MoS{sub 2} nanoflowers by utilizing polyethyleneimine as a binding agent. The photocatalytic activities of the composite samples were evaluated by monitoring the photodegradation of methylene blue (MB). Compared with pure MoS{sub 2} nanoflowers, the composites show higher adsorption capability in dark and better photocatalytic efficiency due to the increased specific surface area and improved electron-hole pair separation. After irradiation for 100?min, the remaining MB in solution is about 7.3%. Moreover, the MoS{sub 2}@ZnO heterojunctions possess enhanced field emission properties with lower turn-on field of 3.08?V ?m{sup ?1}and lower threshold field of 6.9?V ?m{sup ?1} relative to pure MoS{sub 2} with turn-on field of 3.65?V ?m{sup ?1} and threshold field of 9.03?V ?m{sup ?1}.

  6. Zinc vacancy and erbium cluster jointly promote ferromagnetism in erbium-doped ZnO thin film

    SciTech Connect (OSTI)

    Chen, Hong-Ming; Zhou, Ren-Wei; Li, Fei; University of Chinese Academy of Sciences, Beijing 100049 ; Liu, Xue-Chao Zhuo, Shi-Yi; Shi, Er-Wei; Xiong, Ze

    2014-04-15

    Zn{sub 1-x}Er{sub x}O (0.005 ? x ? 0.04) thin films have been prepared by inductively coupled plasma enhanced physical vapor deposition method. Ferromagnetism, crystal structure, microstructure and photoluminescence properties of the films were characterized. It is found that the chemical valence state of Er is trivalent, and the Er{sup 3+} cations play an important role in ferromagnetism. Both saturated magnetization (M{sub s}) and zinc vacancy (V{sub Zn}) are decreased with the increase of x from 0.005 to 0.03. However, further increasing x to 0.04, the M{sub s} is quenched due to the generation of Er clusters. It reveals that the intensity of M{sub s} is not only associated with the V{sub Zn} concentration, but also related to the Er clusters. The V{sub Zn} concentration and the Er clusters can jointly boost the ferromagnetism in the Zn{sub 1-x}Er{sub x}O thin films.

  7. Comparative Study of the Defect Point Physics and Luminescence of the Kesterites Cu2ZnSnS4 and Cu2ZnSnSe4 and Chalcopyrite Cu(In,Ga)Se2: Preprint

    SciTech Connect (OSTI)

    Romero, M. J.; Repins, I.; Teeter, G.; Contreras, M.; Al-Jassim, M.; Noufi, R.

    2012-08-01

    In this contribution, we present a comparative study of the luminescence of the kesterites Cu2ZnSnS4 (CZTS) and Cu2ZnSnSe4 (CZTSe) and their related chalcopyrite Cu(In,Ga)Se2 (CIGSe). Luminescence spectroscopy suggests that the electronic properties of Zn-rich, Cu-poor kesterites (both CZTS and CZTSe) and Cu-poor CIGSe are dictated by fluctuations of the electrostatic and chemical potentials. The large redshift in the luminescence of grain boundaries in CIGSe, associated with the formation of a neutral barrier is clearly observed in CZTSe, and, to some extent, in CZTS. Kesterites can therefore replicate the fundamental electronic properties of CIGSe.

  8. Characterization of piesoelectric ZnO thin films and the fabrication of piezoelectric micro-cantilevers

    SciTech Connect (OSTI)

    Johnson, Raegan Lynn

    2005-08-01

    In Atomic Force Microscopy (AFM), a microcantilever is raster scanned across the surface of a sample in order to obtain a topographical image of the sample's surface. In a traditional, optical AFM, the sample rests on a bulk piezoelectric tube and a control loop is used to control the tip-sample separation by actuating the piezo-tube. This method has several disadvantages--the most noticeable one being that response time of the piezo-tube is rather long which leads to slow imaging speeds. One possible solution aimed at improving the speed of imaging is to incorporate a thin piezoelectric film on top of the cantilever beam. This design not only improves the speed of imaging because the piezoelectric film replaces the piezo-tube as an actuator, but the film can also act as a sensor. In addition, the piezoelectric film can excite the cantilever beam near its resonance frequency. This project aims to fabricate piezoelectric microcantilevers for use in the AFM. Prior to fabricating the cantilevers and also part of this project, a systematic study was performed to examine the effects of deposition conditions on the quality of piezoelectric ZnO thin films deposited by RF sputtering. These results will be presented. The deposition parameters that produced the highest quality ZnO film were used in the fabrication of the piezoelectric cantilevers. Unfortunately, the fabricated cantilevers warped due to the intrinsic stress of the ZnO film and were therefore not usable in the AFM. The complete fabrication process will be detailed, the results will be discussed and reasons for the warping will be examined.

  9. Ab initio study of the structural, electronic and optical properties of ZnTe compound

    SciTech Connect (OSTI)

    Bahloul, B.; Deghfel, B.; Amirouche, L.; Bounab, S.; Bentabet, A.; Bouhadda, Y.; Fenineche, N.

    2015-03-30

    Structural, electronic and optical properties of ZnTe compound were calculated using Density Functional Theory (DFT) based on the pseudopotentials and planewaves (PP-PW) method as implemented in the ABINIT computer code, where the exchangecorrelation functional is approximated using the local density approximation (LDA) and the generalized gradient approximation (GGA). The obtained results from either LDA or GGa calculation for lattice parameter, energy band gap and optical parameters, such as the fundamental absorption edge, the peaks observed in the imaginary part of the dielectric function, the macroscopic dielectric constants and the optical dielectric constant, are compared with the available theoretical results and experimental data.

  10. Microwave properties of RF- sputtered ZnFe{sub 2}O{sub 4} thin films

    SciTech Connect (OSTI)

    Garg, T. Kulkarni, A. R.; Venkataramani, N.; Sahu, B. N.; Prasad, Shiva

    2014-04-24

    In this work, RF- magnetron sputtering technique has been employed to deposit nanocrystalline ZnFe{sub 2}O{sub 4} thin films at room temperature. The as grown films were ex-situ annealed in air for 2 h at temperatures from 150C to 650C. X-ray diffraction, vibrating sample magnetometer and ferromagnetic resonance were used to analyze the phase formation, magnetic properties and microwave properties respectively. From the hysteresis loops and ferromagnetic resonance spectra taken at room temperature, a systematic study on the effect of O{sub 2} plasma on microwave properties with respect to processing temperature has been carried out.

  11. Si/ZnO nanorods/Ag/AZO structures as promising photovoltaic plasmonic cells

    SciTech Connect (OSTI)

    Placzek-Popko, E. Gwozdz, K.; Gumienny, Z.; Zielony, E.; Jacak, W.; Pietruszka, R.; Witkowski, B. S.; Wachnicki, ?.; Gieraltowska, S.; Chang, Liann-Be

    2015-05-21

    The test structures for photovoltaic (PV) applications based on zinc oxide nanorods (NRs) that were grown using a low-temperature hydrothermal method on p-type silicon substrates (100) covered with Ag nanoparticles (NPs) were studied. The NPs of three different diameters, i.e., 510?nm, 20-30?nm, and 5060?nm, were deposited using a sputtering method. The morphology and crystallinity of the structures were confirmed by scanning electron microscopy and Raman spectroscopy. It was found that the nanorods have a hexagonal wurtzite structure. An analysis of the Raman and photoluminescence spectra permitted the identification of the surface modes at 476?cm{sup ?1} and 561?cm{sup ?1}. The presence of these modes is evidence of nanorods oriented along the wurtzite c-axis. The NRs with Ag NPs were covered with a ZnO:Al (AZO) layer that was grown using the low-temperature atomic layer deposition technique. The AZO layer served as a transparent ohmic contact to the ZnO nanorods. The applicability of the AZO layer for this purpose and the influence of the Ag nanoparticles on the effectiveness of light acquisition by such prepared PV cells were checked by reflectance and transmittance measurements of the AZO/glass and AZO/NPs/glass reference structures. Based on these studies, the high-energy transmittance edge was assigned to the ZnO energy gap, although it is blueshifted with respect to the bulk ZnO energy gap because of Al doping. It was also shown that the most optimal PV performance is obtained from a structure containing Ag nanoparticles with a diameter of 2030?nm. This result is confirmed by the current-voltage measurements performed with 1-sun illumination. The structures show a plasmonic effect within the short wavelength range: the PV response for the structure with Ag nanoparticles is twice that of the structure without the nanoparticles. However, the influence of the Ag nanoparticle diameters on the plasmonic effect is ambiguous.

  12. Core-shell ITO/ZnO/CdS/CdTe nanowire solar cells

    SciTech Connect (OSTI)

    Williams, B. L.; Phillips, L.; Major, J. D.; Durose, K.; Taylor, A. A.; Mendis, B. G.; Bowen, L.

    2014-02-03

    Radial p-n junction nanowire (NW) solar cells with high densities of CdTe NWs coated with indium tin oxide (ITO)/ZnO/CdS triple shells were grown with excellent heterointerfaces. The optical reflectance of the devices was lower than for equivalent planar films by a factor of 100. The best efficiency for the NW solar cells was ??=?2.49%, with current transport being dominated by recombination, and the conversion efficiencies being limited by a back contact barrier (?{sub B}?=?0.52?eV) and low shunt resistances (R{sub SH}?

  13. Light induced instability mechanism in amorphous InGaZn oxide semiconductors

    SciTech Connect (OSTI)

    Robertson, John; Guo, Yuzheng

    2014-04-21

    A model of the negative bias illumination stress instability in InGaZn oxide is presented, based on the photo-excitation of electrons from oxygen interstitials. The O interstitials are present to compensate hydrogen donors. The O interstitials are found to spontaneously form in O-rich conditions for Fermi energies at the conduction band edge, much more easily that in related oxides. The excited electrons give rise to a persistent photoconductivity due to an energy barrier to recombination. The formation energy of the O interstitials varies with their separation from the H donors, which leads to a voltage stress dependence on the compensation.

  14. Influence of aluminium doping on thermoelectric performance of atomic layer deposited ZnO thin films

    SciTech Connect (OSTI)

    Ruoho, Mikko Pale, Ville; Erdmanis, Mikhail; Tittonen, Ilkka

    2013-11-11

    We study the effect of Al doping on thermoelectric power factor of ZnO films grown using atomic layer deposition method. The overall doping level is tuned by either varying the precursor pulsing sequence or by varying the number of precursor pulses while keeping the sequence unchanged. We observe that commonly utilized doping approach when periodic dopant layers are densely packed results in reduced power factor. At the same time, we find that thermoelectric performance can be improved by clustering the dopants. In addition, the clustering was found to tune the preferred crystal orientation of the polycrystalline film.

  15. Surface relief produced by diffusion induced boundary migration in Cu-Zn

    SciTech Connect (OSTI)

    Tsai, Y.S.; Meyrick, G.; Shewmon, P.G.

    1984-03-01

    Experimental observations are presented that demonstrate that diffusion induced grain boundary migration in copper foils exposed to zinc vapor, from a Cu-15 pct Zn alloy, can be studied directl after treatment without etching. The general characteristics of migration are in accord with previous investigations, but novel changes in the surface topography are described. Pits were formed on the surface of areas swept by boundary migration; also, the surface was often converted into a series of corrugations. The formation of pits suggests that the grain boundary diffusivity of zinc exceeds that of copper. The corrugations are believed to indicate that boundaries sometimes move in an intermittent manner.

  16. Conductive atomic force microscopy study of local electronic transport in ZnTe thin films

    SciTech Connect (OSTI)

    Kshirsagar, Sachin D.; Krishna, M. Ghanashyam; Tewari, Surya P.

    2013-02-05

    ZnTe thin films obtained by the electron beam evaporation technique were subjected to thermal annealing at 500 Degree-Sign C for 2 hours. The as deposited films were amorphous but transformed to the crystalline state under influence of the thermal treatment. There is increase in optical absorption due to the heat treatment caused by increase in free carrier concentration. Conductive atomic force microscopy shows the presence of electronic inhomogeneities in the films. This is attributed to local compositional variations in the films. I-V analysis in these systems indicates formation of Schottky junction at the metal semiconductor (M-S) interface.

  17. Influence of solvent on the morphology and photocatalytic properties of ZnS decorated CeO{sub 2} nanoparticles

    SciTech Connect (OSTI)

    Raubach, Cristiane W. Polastro, Lisnias; Ferrer, Mateus M.; Perrin, Andre; Perrin, Christiane; Albuquerque, Anderson R.; Buzolin, Prescila G. C.; Sambrano, Julio R.; Santana, Yuri B. V. de; Varela, Jos A.; Longo, Elson

    2014-06-07

    Herein, we report a theoretical and experimental study on the photocatalytic activity of CeO{sub 2} ZnS, and ZnS decorated CeO{sub 2} nanoparticles prepared by a microwave-assisted solvothermal method. Theoretical models were established to analyze electron transitions primarily at the interface between CeO{sub 2} and ZnS. As observed, the particle morphology strongly influenced the photocatalytic degradation of organic dye Rhodamine B. A model was proposed to rationalize the photocatalytic behavior of the prepared decorated systems taking into account different extrinsic and intrinsic defect distributions, including order-disorder effects at interfacial and intra-facial regions, and vacancy concentration.

  18. Plasmonic materials based on ZnO films and their potential for developing broadband middle-infrared absorbers

    SciTech Connect (OSTI)

    Kesim, Yunus E. Battal, Enes; Okyay, Ali K.

    2014-07-15

    Noble metals such as gold and silver have been extensively used for plasmonic applications due to their ability to support plasmons, yet they suffer from high intrinsic losses. Alternative plasmonic materials that offer low loss and tunability are desired for a new generation of efficient and agile devices. In this paper, atomic layer deposition (ALD) grown ZnO is investigated as a candidate material for plasmonic applications. Optical constants of ZnO are investigated along with figures of merit pertaining to plasmonic waveguides. We show that ZnO can alleviate the trade-off between propagation length and mode confinement width owing to tunable dielectric properties. In order to demonstrate plasmonic resonances, we simulate a grating structure and computationally demonstrate an ultra-wide-band (415 ?m) infrared absorber.

  19. One-photon band gap engineering of borate glass doped with ZnO for photonics applications

    SciTech Connect (OSTI)

    Abdel-Baki, Manal; Abdel-Wahab, Fathy A.; El-Diasty, Fouad

    2012-04-01

    Lithium tungsten borate glass of the composition (0.56-x)B{sub 2}O{sub 3}-0.4Li{sub 2}O-xZnO-0.04WO{sub 3} (0 {<=}x{<=} 0.1 mol. %) is prepared for photonics applications. The glass is doped with ZnO to tune the glass absorption characteristics in a wide spectrum range (200-2500 nm). Chemical bond approach, including chemical structure, electronegativity, bond ionicity, nearest-neighbor coordination, and other chemical bonding aspect, is used to analyze and to explain the obtained glass properties such as: transmittance, absorption, electronic structure parameters (bandgap, Fermi level, and Urbach exciton-phonon coupling), Wannier free excitons excitation (applying Elliott's model), and two-photon absorption coefficient as a result of replacement of B{sub 2}O{sub 3} by ZnO.

  20. Atom-probe tomographic study of interfaces of Cu{sub 2}ZnSnS{sub 4} photovoltaic cells

    SciTech Connect (OSTI)

    Tajima, S. Asahi, R.; Itoh, T.; Hasegawa, M.; Ohishi, K.; Isheim, D.; Seidman, D. N.

    2014-09-01

    The heterophase interfaces between the CdS buffer layer and the Cu{sub 2}ZnSnS{sub 4} (CZTS) absorption layers are one of the main factors affecting photovoltaic performance of CZTS cells. We have studied the compositional distributions at heterophase interfaces in CZTS cells using three-dimensional atom-probe tomography. The results demonstrate: (a) diffusion of Cd into the CZTS layer; (b) segregation of Zn at the CdS/CZTS interface; and (c) a change of oxygen and hydrogen concentrations in the CdS layer depending on the heat treatment. Annealing at 573?K after deposition of CdS improves the photovoltaic properties of CZTS cells probably because of the formation of a heterophase epitaxial junction at the CdS/CZTS interface. Conversely, segregation of Zn at the CdS/CZTS interface after annealing at a higher temperature deteriorates the photovoltaic properties.

  1. Structure and optical homogeneity of LiNbO{sub 3}:Zn (0.034.5 mol.%) crystals

    SciTech Connect (OSTI)

    Sidorov, Nikolay E-mail: tepl-na@chemy.kolasc.net.ru E-mail: Jovial1985@yandex.ru Tepljakova, Natalja E-mail: tepl-na@chemy.kolasc.net.ru E-mail: Jovial1985@yandex.ru Gabain, Aleksei E-mail: tepl-na@chemy.kolasc.net.ru E-mail: Jovial1985@yandex.ru Yanichev, Aleksander E-mail: tepl-na@chemy.kolasc.net.ru E-mail: Jovial1985@yandex.ru Palatnikov, Mikhail E-mail: tepl-na@chemy.kolasc.net.ru E-mail: Jovial1985@yandex.ru

    2014-11-14

    Structure and optical homogeneity of LiNbO{sub 3}:Zn (0.034.5 mol.%) crystals were searched by photoinduced light scattering and by Raman spectroscopy. The photorefractive effect depends on Zn{sup 2+} concentration nonmonotonically. Decrease of photorefractive effect is explained by decrease of structure defects with localized electrons. The Zn{sup 2+} cations replace structure defects Nb{sub Li} and Li{sub Nb}, trapping levels appear near the bottom of the conduction band and photo electrons recombine with emission under laser radiation. By the Raman spectra the area of the high structure order is found. In this area the own alternation, the alternation of impurity cations and the vacancies along the polar axis is almost perfect.

  2. Transient and temperature-dependent phenomena in Ge:Be and Ge:Zn far infrared photoconductors

    SciTech Connect (OSTI)

    Haegel, N.M.

    1985-11-01

    An experimental study of the transient and temperature-dependent behavior of Ge:Be and Ge:Zn photoconductors has been performed under the low background photon flux conditions (p dot approx. = 10/sup 8/ photons/second) typical of astronomy and astrophysics applications. The responsivity of Ge:Be and Ge:Zn detectors is strongly temperature-dependent in closely compensated material, and the effect of compensation on free carrier lifetime in Ge:Be has been measured using the photo-Hall effect technique. Closely compensated material has been obtained by controlling the concentration of novel hydrogen-related shallow acceptor complexes, A(Be,H) and A(Zn,H), which exist in doped crystals grown under a H/sub 2/ atmosphere. A review of selection criteria for multilevel materials for optimum photoconductor performance is included. 55 refs., 47 figs.

  3. Reduction of surface leakage current by surface passivation of CdZn Te and other materials using hyperthermal oxygen atoms

    DOE Patents [OSTI]

    Hoffbauer, Mark A. (Los Alamos, NM); Prettyman, Thomas H. (Los Alamos, NM)

    2001-01-01

    Reduction of surface leakage current by surface passivation of Cd.sub.1-x Zn.sub.x Te and other materials using hyperthermal oxygen atoms. Surface effects are important in the performance of CdZnTe room-temperature radiation detectors used as spectrometers since the dark current is often dominated by surface leakage. A process using high-kinetic-energy, neutral oxygen atoms (.about.3 eV) to treat the surface of CdZnTe detectors at or near ambient temperatures is described. Improvements in detector performance include significantly reduced leakage current which results in lower detector noise and greater energy resolution for radiation measurements of gamma- and X-rays, thereby increasing the accuracy and sensitivity of measurements of radionuclides having complex gamma-ray spectra, including special nuclear materials.

  4. Control of domain wall pinning by localised focused Ga {sup +} ion irradiation on Au capped NiFe nanowires

    SciTech Connect (OSTI)

    Burn, D. M. Atkinson, D.

    2014-10-28

    Understanding domain wall pinning and propagation in nanowires are important for future spintronics and nanoparticle manipulation technologies. Here, the effects of microscopic local modification of the magnetic properties, induced by focused-ion-beam intermixing, in NiFe/Au bilayer nanowires on the pinning behavior of domain walls was investigated. The effects of irradiation dose and the length of the irradiated features were investigated experimentally. The results are considered in the context of detailed quasi-static micromagnetic simulations, where the ion-induced modification was represented as a local reduction of the saturation magnetization. Simulations show that domain wall pinning behavior depends on the magnitude of the magnetization change, the length of the modified region, and the domain wall structure. Comparative analysis indicates that reduced saturation magnetisation is not solely responsible for the experimentally observed pinning behavior.

  5. Structure-activity relationship of Au-ZrO2 catalyst on formation of hydroxyl groups and its influence on CO oxidation

    SciTech Connect (OSTI)

    Karwacki, Christopher J; Ganesh, Panchapakesan; Kent, P. R. C.; Gordon, Wesley O; Peterson, Gregory W; Niu, Jun Jie; Gogotsi, Yury G.

    2013-01-01

    The effect of changes in morphology and surface hydroxyl species upon thermal treatment of zirconia on the oxidation activity of Au/ZrO2 catalyst was studied. We observed using transmission Fourier transform infrared (FTIR) spectroscopy progressive changes in the presence of monodentate (type I), bidentate (type II) and hydrogen bridged species (type III) for each of the thermally treated (85 to 500 C) supports consisting of bare zirconia and Au/ZrO2 catalysts. Furthermore, structural changes in zirconia were accompanied by an increase in crystal size (7 to 58 nm) and contraction of the supports porosity (SSA 532 to 7 m2 g 1) with increasing thermal treatment. Deposition of gold nanoparticles under similar preparation conditions on different thermally treated zirconia resulted in changes in the mean gold cluster size, ranging from 3.7 to 5.6 nm. Changes in the surface hydroxyl species, support structure and size of the gold centers are important parameters responsible for the observed decrease (>90%) in CO conversion activity for the Au/ZrO2 catalysts. Density functional theory calculations provide evidence of increased CO binding to Au nanoclusters in the presence of surface hydroxyls on zirconia, which increases charge transfer at the perimeter of the gold nanocluster on zirconia support. This further helps in reducing a model CO-oxidation reaction barrier in the presence of surface hydroxyls. This work demonstrates the need to understand the structure activity relationship of both the support and active particles for the design of catalytic materials.

  6. Structure-Activity Relationship of Au/ZrO2 Catalyst on Formation of Hydroxyl Groups and Its Influence on CO Oxidation

    SciTech Connect (OSTI)

    Karwacki, Christopher J; Ganesh, Panchapakesan; Gordon, Wesley O; Peterson, Gregory W; Niu, Jun Jie; Gogotsi, Yury G.

    2013-01-01

    The effect of changes in morphology and surface hydroxyl species upon thermal treatment of zirconia on the oxidation activity of Au/ZrO2 catalyst was studied. We observed using transmission fourier transform infrared (FTIR) spectroscopy progressive changes in the presence of monodentate (type I), bidentate (type II) and hydrogen bridged species (type III) for each of the thermally treated (85 to 500 C) supports consisting of bare zirconia and Au/ZrO2 catalysts. Furthermore, structural changes in zirconia were accompanied by an increase in crystal size (7 to 58 nm) and contraction of the supports porosity (SSA 532 to 7 m2/g) with increasing thermal treatment. Deposition of gold nanoparticles under similar preparation conditions on different thermally treated zirconia resulted in changes in the mean gold cluster size, ranging from 3.7 to 5.6 nm. Changes in the surface hydroxyl species, support structure and size of the gold centers are important parameters responsible for the observed decrease (> 90 %) in CO conversion activity for the Au/ZrO2 catalysts. Density functional theory calculations provide evidence of increased CO binding to Au nanoclusters in the presence of surface hydroxyls on zirconia, which increases charge transfer at the perimeter of the gold nanocluster on zirconia support. This further helps in reducing a model CO-oxidation reaction barrier in the presence of surface hydroxyls. This work demonstrates the need to understand the structure-activity relationship of both the support and active particles for the design of catalytic materials.

  7. Exploring the activity of a novel Au/TiC(001) model catalyst towards CO and CO2 hydrogenation

    SciTech Connect (OSTI)

    Asara, Gian Giacomo; Ricart, Josep M.; Illas, Francesc

    2015-02-02

    Small metallic nanoparticles supported on transition metal carbides exhibit an unexpected high activity towards a series of chemical reactions. In particular, the Au/TiC system has proven to be an excellent catalyst for SO2 decomposition, thiophene hydrodesulfurization, O2 and H2 dissociation and the water gas shift reaction. Recent studies have shown that Au/TiC is a very good catalyst for the reverse watergas shift (CO2 + H2 ? CO + H2O) and CO2 hydrogenation to methanol. The present work further expands the range of applicability of this novel type of systems by exploring the catalytic activity of Au/TiC towards the hydrogenation of CO or CO2 with periodic density functional theory (DFT) calculations on model systems. Hydrogen dissociates easily on Au/TiC but direct hydrogenation of CO to methanol is hindered by very high activation barriers implying that, on this model catalyst, methanol production from CO2 involves the hydrogenation of a HOCO-like intermediate. Thus, when dealing with mixtures of syngas (CO/CO2/H2/H2O), CO could be transformed into CO2 through the water gas shift reaction with subsequent hydrogenation of CO2 to methanol.

  8. Preparation and Characterization of Au-ZrO2-SiO2 Nanocomposite Spheres and Their Application in Enrichment and Detection of Organophosphorus Agents

    SciTech Connect (OSTI)

    Yang, Yuqi; Tu, Haiyang; Zhang, Aidong; Du, Dan; Lin, Yuehe

    2012-03-01

    Au-ZrO{sub 2}-SiO{sub 2} nanocomposite spheres were synthesized and used as selective sorbents for the solid-phase extraction (SPE) of orananophosphorous agents. A non-enzymatic electrochemical sensor based on an Au-ZrO{sub 2}-SiO{sub 2} modified electrode was developed for selective detection of orananophosphorous pesticides (OPs). The Au-ZrO{sub 2}-SiO{sub 2} nanocomposite spheres were synthesized by hydrolysis and condensation of zirconia n-butoxide (TBOZ) on the surface of SiO{sub 2} spheres and then introduction of gold nanoparticles on the surface. Transmission electron microscope and X-ray photoelectron spectroscopy were performed to characterize the formation of the nanocomposite sphere. Fast extraction of OP was achieved by Au-ZrO{sub 2}-SiO{sub 2} modified electrode within 5 min via the specific affinity between zirconia and phosphoric group. The assay yields a broad concentration range of paraoxon-ethyl from 1.0 to 500 ng/mL{sup -1} with a detection limit 0.5 ng/mL{sup -1}. This selective and sensitive method holds great promise for the enrichment and detection of OPs.

  9. Impact of annealing on the chemical structure and morphology of the thin-film CdTe/ZnO interface

    SciTech Connect (OSTI)

    Horsley, K. Hanks, D. A.; Weir, M. G.; Beal, R. J.; Wilks, R. G.; Blum, M.; Hming, M.; Hofmann, T.; Weinhardt, L.; and others

    2014-07-14

    To enable an understanding and optimization of the optoelectronic behavior of CdTe-ZnO nanocomposites, the morphological and chemical properties of annealed CdTe/ZnO interface structures were studied. For that purpose, CdTe layers of varying thickness (424?nm) were sputter-deposited on 100?nm-thick ZnO films on surface-oxidized Si(100) substrates. The morphological and chemical effects of annealing at 525?C were investigated using X-ray Photoelectron Spectroscopy (XPS), X-ray-excited Auger electron spectroscopy, energy dispersive X-ray spectroscopy, scanning electron microscopy, and atomic force microscopy. We find a decrease of the Cd and Te surface concentration after annealing, parallel to an increase in Zn and O signals. While the as-deposited film surfaces show small grains (100?nm diameter) of CdTe on the ZnO surface, annealing induces a significant growth of these grains and separation into islands (with diameters as large as 1??m). The compositional change at the surface is more pronounced for Cd than for Te, as evidenced using component peak fitting of the Cd and Te 3d XPS peaks. The modified Auger parameters of Cd and Te are also calculated to further elucidate the local chemical environment before and after annealing. Together, these results suggest the formation of tellurium and cadmium oxide species at the CdTe/ZnO interface upon annealing, which can create a barrier for charge carrier transport, and might allow for a deliberate modification of interface properties with suitably chosen thermal treatment parameters.

  10. Structural characterization and novel optical properties of defect chalcopyrite ZnGa{sub 2}Te{sub 4} thin films

    SciTech Connect (OSTI)

    Fouad, S.S.; Sakr, G.B.; Yahia, I.S.; Basset, D.M. Abdel

    2011-11-15

    Highlights: {yields} Preparation and characterization of ZnGa{sub 2}Te{sub 4} in powder and thin film forms. {yields} Structure properties such as XRD and EDX. {yields} Optical constant of the as-deposited ZnGa{sub 2}Te{sub 4} for the first time. {yields} Extraction of the optical parameters of the studied films. -- Abstract: Stoichiometric thin film samples of the ternary ZnGa{sub 2}Te{sub 4} defect chalcopyrite compound were prepared and characterized by X-ray diffraction technique. The elemental chemical composition of the prepared bulk material as well as of the as-deposited film was determined by energy-dispersive X-ray spectrometry. ZnGa{sub 2}Te{sub 4} thin films were deposited, by conventional thermal evaporation technique onto highly cleaned glass substrates. The X-ray and electron diffraction studies revealed that the as-deposited and the annealed ZnGa{sub 2}Te{sub 4} films at annealing temperature t{sub a} {<=} 548 K are amorphous, while those annealed at t{sub a} {>=} 573 K (for 1 h), are polycrystalline. The optical properties of the as-deposited films have been investigated for the first time at normal incidence in the spectral range from 500 to 2500 nm. The refractive index dispersion in the transmission and low absorption region is adequately described by the Wemple-DiDomenico single oscillator model, whereby, the values of the oscillator parameters have been calculated. The analysis of the optical absorption coefficient revealed an in-direct optical transition with energy of 1.33 eV for the as-deposited sample. This work suggested that ZnGa{sub 2}Te{sub 4} is a good candidate in solar cell devices as an absorbing layer.

  11. Carbonaceous spheresan unusual template for solid metal oxide mesoscale spheres: Application to ZnO spheres

    SciTech Connect (OSTI)

    Patrinoiu, Greta; Caldern-Moreno, Jose Maria; Culita, Daniela C. [Illie Murgulescu Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, 060021 Bucharest (Romania); Birjega, Ruxandra [National Institute for Lasers, Plasma and Radiation Physics, P.O. Box Mg27, Magurele, Bucharest (Romania); Ene, Ramona [Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, 060021 Bucharest (Romania); Carp, Oana, E-mail: ocarp@icf.ro [Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, 060021 Bucharest (Romania)

    2013-06-15

    A green template route for the synthesis of mesoscale solid ZnO spheres was ascertained. The protocol involves a double coating of the carbonaceous spheres with successive layers of zinc-containing species by alternating a non-ultrasound and ultrasound-assisted deposition, followed by calcination treatments. The composites were characterized by FTIR spectroscopy, thermal analysis, scanning electron microscopy while the obtained ZnO spheres by X-ray diffraction, Raman spectroscopy, scanning and transmission electron microscopy, N{sub 2} adsorptiondesorption isotherms and photoluminescence investigations. A growth mechanism of the solid spheres is advanced based on these results. While the spheres' diameters and the mean size values of ZnO are independent on deposition order, the surface area and the external porosity are fairly dependent. The photoluminescence measurements showed interesting emission features, with emission bands in the violet to orange region. The spheres present high photocatalytical activity towards the degradation of phenol under UV irradiation, the main reaction being its mineralization. - Graphical abstract: A novel and eco-friendly methodology for the synthesis of mesoscale solid ZnO spheres was developed. The protocol involves a double coating of the starch-derived carbonaceous spheres with successive layers of zinc-containing species by alternating a non-ultrasound and ultrasound-assisted deposition, followed by calcination treatments. - Highlights: ZnO solid spheres are obtained via a template route using carbonaceous spheres. Two-step coatings of interchangeable order are used as deposition procedure. The coating procedure influences the porosity and surface area. ZnO spheres exhibited interesting visible photoluminescence properties. Solid spheres showed photocatalytical activity in degradation of phenol.

  12. Cation ordering and effect of biaxial strain in double perovskite CsRbCaZnCl6

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Pilania, G.; Uberuaga, B. P.

    2015-03-19

    Here, we investigate the electronic structure, energetics of cation ordering, and effect of biaxial strain on double perovskite CsRbCaZnCl6 using first-principles calculations based on density functional theory. The two constituents (i.e., CsCaCl3 and RbZnCl3) forming the double perovskite exhibit a stark contrast. While CsCaCl3 is known to exist in a cubic perovskite structure and does not show any epitaxial strain induced phase transitions within an experimentally accessible range of compressive strains, RbZnCl3 is thermodynamically unstable in the perovskite phase and exhibits ultra-sensitive response at small epitaxial strains if constrained in the perovskite phase. We show that combining the two compositionsmore » in a double perovskite structure not only improves overall stability but also the strain-polarization coupling of the material. Our calculations predict a ground state with P4/nmm space group for the double perovskite, where A-site cations (i.e., Cs and Rb) are layer-ordered and B-site cations (i.e., Ca and Zn) prefer a rocksalt type ordering. The electronic structure and bandgap in this system are shown to be quite sensitive to the B-site cation ordering and is minimally affected by the ordering of A-site cations. We find that at experimentally accessible compressive strains CsRbCaZnCl6 can be phase transformed from its paraelectric ground state to an antiferroelectric state, where Zn atoms contribute predominantly to the polarization. Furthermore, both energy difference and activation barrier for a transformation between this antiferroelectric state and the corresponding ferroelectric configuration are predicted to be small. As a result, the computational approach presented here opens a new pathway towards a rational design of novel double perovskites with improved strain response and functionalities.« less

  13. CdS and CdS/CdSe sensitized ZnO nanorod array solar cells prepared by a solution ions exchange process

    SciTech Connect (OSTI)

    Chen, Ling; Gong, Haibo; Zheng, Xiaopeng; Zhu, Min; Zhang, Jun; Yang, Shikuan; Cao, Bingqiang

    2013-10-15

    Graphical abstract: - Highlights: CdS and CdS/CdSe quantum dots are assembled on ZnO nanorods by ion exchange process. The CdS/CdSe sensitization of ZnO effectively extends the absorption spectrum. The performance of ZnO/CdS/CdSe cell is improved by extending absorption spectrum. - Abstract: In this paper, cadmium sulfide (CdS) and cadmium sulfide/cadmium selenide (CdS/CdSe) quantum dots (QDs) are assembled onto ZnO nanorod arrays by a solution ion exchange process for QD-sensitized solar cell application. The morphology, composition and absorption properties of different photoanodes were characterized with scanning electron microscope, transmission electron microscope, energy-dispersive X-ray spectrum and Raman spectrum in detail. It is shown that conformal and uniform CdS and CdS/CdSe shells can grow on ZnO nanorod cores. Quantum dot sensitized solar cells based on ZnO/CdS and ZnO/CdS/CdSe nanocable arrays were assembled with gold counter electrode and polysulfide electrolyte solution. The CdS/CdSe sensitization of ZnO can effectively extend the absorption spectrum up to 650 nm, which has a remarkable impact on the performance of a photovoltaic device by extending the absorption spectrum. Preliminary results show one fourth improvement in solar cell efficiency.

  14. Morphology and structure features of ZnAl{sub 2}O{sub 4} spinel nanoparticles prepared by matrix-isolation-assisted calcination

    SciTech Connect (OSTI)

    Du, Xuelian; Li, Liqiang; Zhang, Wenxing; Chen, Wencong; Cui, Yuting

    2015-01-15

    Graphical abstract: The substrate ZnO as the isolation medium is effective in preventing the sintering and agglomeration of ZnAl{sub 2}O{sub 4} nanoparticles, and it also prevents their contamination. High purity, well-dispersed, and single-crystal ZnAl{sub 2}O{sub 4} nanoparticles with 3.72 eV band gap were obtained. - Abstract: Well-dispersed ZnAl{sub 2}O{sub 4} spinel nanoparticles with an average crystalline size of 25.7 nm were synthesized successfully and easily by polymer-network and matrix-isolation-assisted calcination. The product microstructure and features were investigated by X-ray diffractometry, thermogravimetric and differential thermal analysis, Fourier transform-infrared spectroscopy, N{sub 2} adsorptiondesorption isotherms, and energy dispersive X-ray spectra. The morphology and optical performance of the as-prepared ZnAl{sub 2}O{sub 4} nanoparticles were characterized by scanning electron microscope, transmission electron microscopy, and photoluminescence spectrometer. Experimental results indicate that excess ZnO acted as the isolation medium is effective in preventing the sintering and agglomeration of ZnAl{sub 2}O{sub 4} nanoparticles, and it also prevents their contamination. Then, high purity and well-dispersed ZnAl{sub 2}O{sub 4} nanoparticles with single-crystal structure were obtained.

  15. In-situ optical transmission electron microscope study of exciton phonon replicas in ZnO nanowires by cathodoluminescence

    SciTech Connect (OSTI)

    Yang, Shize; Tian, Xuezeng; Wang, Lifen; Wei, Jiake; Qi, Kuo; Li, Xiaomin; Xu, Zhi E-mail: xdbai@iphy.ac.cn Wang, Wenlong; Zhao, Jimin; Bai, Xuedong E-mail: xdbai@iphy.ac.cn; Wang, Enge E-mail: xdbai@iphy.ac.cn

    2014-08-18

    The cathodoluminescence spectrum of single zinc oxide (ZnO) nanowires is measured by in-situ optical Transmission Electron Microscope. The coupling between exciton and longitudinal optical phonon is studied. The band edge emission varies for different excitation spots. This effect is attributed to the exciton propagation along the c axis of the nanowire. Contrary to free exciton emission, the phonon replicas are well confined in ZnO nanowire. They travel along the c axis and emit at the end surface. Bending strain increases the relative intensity of second order phonon replicas when excitons travel along the c-axis.

  16. Enhancement of surface phonon modes in the Raman spectrum of ZnSe nanoparticles on adsorption of 4-mercaptopyridine

    SciTech Connect (OSTI)

    Islam, Syed K.; Lombardi, John R.

    2014-02-21

    By chemically etching a thin film of crystalline ZnSe with acid, we observe a strong Raman enhancement of the surface phonon modes of ZnSe on adsorption of a molecule (4-mercaptopyridine). The surface is composed of oblate hemi-ellipsoids, which has a large surface-to-bulk ratio. The assignment of the observed modes (at 248 and 492 cm{sup ?1}) to a fundamental and first overtone of the surface optical mode is consistent with observations from high-resolution electron energy loss spectroscopy as well as calculations.

  17. Influence of in-situ annealing ambient on p-type conduction in dual ion beam sputtered Sb-doped ZnO thin films

    SciTech Connect (OSTI)

    Pandey, Sushil Kumar; Kumar Pandey, Saurabh; Awasthi, Vishnu; Mukherjee, Shaibal; Gupta, M.; Deshpande, U. P.

    2013-08-12

    Sb-doped ZnO (SZO) films were deposited on c-plane sapphire substrates by dual ion beam sputtering deposition system and subsequently annealed in-situ in vacuum and in various proportions of O{sub 2}/(O{sub 2} + N{sub 2})% from 0% (N{sub 2}) to 100% (O{sub 2}). Hall measurements established all SZO films were p-type, as was also confirmed by typical diode-like rectifying current-voltage characteristics from p-ZnO/n-ZnO homojunction. SZO films annealed in O{sub 2} ambient exhibited higher hole concentration as compared with films annealed in vacuum or N{sub 2} ambient. X-ray photoelectron spectroscopic analysis confirmed that Sb{sup 5+} states were more preferable in comparison to Sb{sup 3+} states for acceptor-like Sb{sub Zn}-2V{sub Zn} complex formation in SZO films.

  18. Effects of ion and nanosecond-pulsed laser co-irradiation on the surface nanostructure of Au thin films on SiO{sub 2} glass substrates

    SciTech Connect (OSTI)

    Yu, Ruixuan; Meng, Xuan; Takayanagi, Shinya [Graduate School of Engineering, Hokkaido University, Sapporo, Hokkaido 060-8628 (Japan); Shibayama, Tamaki, E-mail: shiba@qe.eng.hokudai.ac.jp; Yatsu, Shigeo; Ishioka, Junya; Watanabe, Seiichi [Center for Advanced Research of Energy and Materials Science, Faculty of Engineering, Hokkaido University, Sapporo, Hokkaido 060-8628 (Japan)

    2014-04-14

    Ion irradiation and short-pulsed laser irradiation can be used to form nanostructures on the surfaces of substrates. This work investigates the synergistic effects of ion and nanosecond-pulsed laser co-irradiation on surface nanostructuring of Au thin films deposited under vacuum on SiO{sub 2} glass substrates. Gold nanoparticles are randomly formed on the surface of the substrate after nanosecond-pulsed laser irradiation under vacuum at a wavelength of 532 nm with a repetition rate of 10?Hz and laser energy density of 0.124 kJ/m{sup 2}. Gold nanoparticles are also randomly formed on the substrate after 100-keV Ar{sup +} ion irradiation at doses of up to 3.8??10{sup 15} ions/cm{sup 2}, and nearly all of these nanoparticles are fully embedded in the substrate. With increasing ion irradiation dose (number of incident laser pulses), the mean diameter of the Au nanoparticles decreases (increases). However, Au nanoparticles are only formed in a periodic surface arrangement after co-irradiation with 6000 laser pulses and 3.8??10{sup 15} ions/cm{sup 2}. The periodic distance is ?540 nm, which is close to the wavelength of the nanosecond-pulsed laser, and the mean diameter of the Au nanoparticles remains at ?20 nm with a relatively narrow distribution. The photoabsorption peaks of the ion- or nanosecond-pulsed laser-irradiated samples clearly correspond to the mean diameter of Au nanoparticles. Conversely, the photoabsorption peaks for the co-irradiated samples do not depend on the mean nanoparticle diameter. This lack of dependence is likely caused by the periodic nanostructure formed on the surface by the synergistic effects of co-irradiation.

  19. Cytotoxicity of InP/ZnS quantum dots related to reactive oxygen species generation.

    SciTech Connect (OSTI)

    Chibli, H.; Carlini, L.; Park, S.; Dimitrijevic, N. M.; Nadeau, J. L.

    2011-01-01

    Indium phosphide (InP) quantum dots (QDs) have emerged as a presumably less hazardous alternative to cadmium-based particles, but their cytotoxicity has not been well examined. Although their constituent elements are of very low toxicity to cells in culture, they nonetheless exhibit phototoxicity related to generation of reactive oxygen species by excited electrons and/or holes interacting with water and molecular oxygen. Using spin-trap electron paramagnetic resonance (EPR) spectroscopy and reporter assays, we find a considerable amount of superoxide and a small amount of hydroxyl radical formed under visible illumination of biocompatible InP QDs with a single ZnS shell, comparable to what is seen with CdTe. A double thickness shell reduces the reactive oxygen species concentration approximately two-fold. Survival assays in five cell lines correspondingly indicate a distinct reduction in toxicity with the double-shell InP QDs. Toxicity varies significantly across cell lines according to the efficiency of uptake, being overall significantly less than what is seen with CdTe or CdSe/ZnS. This indicates that InP QDs are a useful alternative to cadmium-containing QDs, while remaining capable of electron-transfer processes that may be undesirable or which may be exploited for photosensitization applications.

  20. Conduction below 100 °C in nominal Li6ZnNb4O14

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Li, Yunchao; Paranthaman, Mariappan Parans; Gill, Lance W.; Edward W. Hagaman; Wang, Yangyang; Sokolov, Alexei P.; Dai, Sheng; Ma, Cheng; Chi, Miaofang; Veith, Gabriel M.; et al

    2015-09-15

    The increasing demand for a safe rechargeable battery with a high energy density per cell is driving a search for a novel solid electrolyte with a high Li+ or Na+ conductivity that is chemically stable in a working Li-ion or Na-ion battery. Li6ZnNb4O14 has been reported to exhibit a σ Li > 10-2 S cm-1 at 250 °C, but to disproportionate into multiple phases on cooling from 850 °C to room temperature. An investigation of the room-temperature Li-ion conductivity in a porous pellet of a multiphase product of a nominal Li6ZnNb4O14 composition is shown to have bulk σ Li 3.3more » x 10-5 S cm-1 at room temperature that increases to 1.4 x 10-4 S cm-1 by 50 °C. 7Li MAS NMR spectra were fitted to two Lorentzian lines, one of which showed a dramatic increase with increasing temperature. As a result, a test for water stability indicates that Li+ may move to the particle and grain surfaces to react with adsorbed water as occurs in the garnet Li+ conductors.« less

  1. A single-molecule approach to ZnO defect studies: Single photons and single defects

    SciTech Connect (OSTI)

    Jungwirth, N. R.; Pai, Y. Y.; Chang, H. S.; MacQuarrie, E. R.; Nguyen, K. X.; Fuchs, G. D.

    2014-07-28

    Investigations that probe defects one at a time offer a unique opportunity to observe properties and dynamics that are washed out of ensemble measurements. Here, we present confocal fluorescence measurements of individual defects in ZnO nanoparticles and sputtered films that are excited with sub-bandgap energy light. Photon correlation measurements yield both antibunching and bunching, indicative of single-photon emission from isolated defects that possess a metastable shelving state. The single-photon emission is in the range of ?560720?nm and typically exhibits two broad spectral peaks separated by ?150?meV. The excited state lifetimes range from 1 to 13?ns, consistent with the finite-size and surface effects of nanoparticles and small grains. We also observe discrete jumps in the fluorescence intensity between a bright state and a dark state. The dwell times in each state are exponentially distributed and the average dwell time in the bright (dark) state does (may) depend on the power of the exciting laser. Taken together, our measurements demonstrate the utility of a single-molecule approach to semiconductor defect studies and highlight ZnO as a potential host material for single-defect based applications.

  2. A Tb–Zn tetra(4-sulfonatophenyl)porphyrin hybrid: Preparation, structure, photophysical and electrochemical properties

    SciTech Connect (OSTI)

    Chen, Wen-Tong; Hu, Rong-Hua; Wang, Yin-Feng; Zhang, Xian; Liu, Juan

    2014-05-01

    A terbium-zinc porphyrin, i.e. [TbZn(TPPS)H{sub 3}O]{sub n} (1) (TPPS=tetra(4-sulfonatophenyl)porphyrin), has been obtained from a solvothermal reaction and structurally analyzed by single-crystal X-ray diffraction. Compound 1 is characteristic of a condensed three-dimensional (3-D) porous open framework with two types of infinite one-dimensional (1-D) chain-like structure. Compound 1 exhibits a void space of 215 Å{sup 3}, which is 9.2% of the unit-cell volume. TG/DTA measurement reveals that the framework of compound 1 is thermally stable up to 336 °C. In order to reveal its photophysical and electrochemical properties, we investigated compound 1 in detail with UV–vis spectra, fluorescence, quantum yield, luminescence lifetime, and CV/DPV. - Graphical abstract: A terbium–zinc porphyrin [TbZn(TPPS)H{sub 3}O]{sub n} has been obtained from a solvothermal reaction. It features a condensed 3-D porous open framework. It shows good thermal stability. - Highlights: • This paper reports a novel terbium–zinc porphyrin. • It features a novel condensed three-dimensional porous open framework. • The title compound is thermally stable up to 336 °C. • It is studied by UV–vis, fluorescence, quantum yield, lifetime, and CV/DPV.

  3. Characterization of ZnO film grown on polycarbonate by atomic layer deposition at low temperature

    SciTech Connect (OSTI)

    Lee, Gyeong Beom; Han, Gwon Deok; Shim, Joon Hyung; Choi, Byoung-Ho

    2015-01-15

    ZnO is an attractive material for use in various technological products such as phosphors, gas sensors, and transparent conductors. Recently, aluminum-doped zinc oxide has received attention as a potential replacement for indium tin oxide, which is one of the transparent conductive oxides used in flat panel displays, organic light-emitting diodes, and organic solar cells. In this study, the characteristics of ZnO films deposited on polycarbonate (PC) substrates by atomic layer deposition (ALD) are investigated for various process temperatures. The growth mechanism of these films was investigated at low process temperatures using x-ray diffraction (XRD) and x-ray photoelectron spectroscopy (XPS). XRD and XPS were used to determine the preferred orientation and chemical composition of the films, respectively. Furthermore, the difference of the deposition mechanisms on an amorphous organic material, i.e., PC substrate and an inorganic material such as silicon was discussed from the viewpoint of the diffusion and deposition of precursors. The structure of the films was also investigated by chemical analysis in order to determine the effect of growth temperature on the films deposited by ALD.

  4. Preparation of transparent conducting B-doped ZnO films by vacuum arc plasma evaporation

    SciTech Connect (OSTI)

    Miyata, Toshihiro; Honma, Yasunori; Minami, Tadatsugu

    2007-07-15

    Highly transparent and conductive B-doped ZnO (BZO) thin films have been prepared by a newly developed vacuum arc plasma evaporation method that provided high-rate film depositions using sintered BZO pellets and fragments. The obtained electrical and optical properties of the deposited BZO thin films were considerably affected by the deposition conditions as well as the preparation method of the BZO pellets and fragments used. The lowest thin film resistivity was obtained with a B doping content [B/(B+Zn) atomic ratio] of approximately 1 at. %. A resistivity as low as 5x10{sup -4} {omega} cm and an average transmittance above about 80% in the wavelength range of 400-1300 nm were obtained in BZO films prepared with a thickness above approximately 400 nm at a substrate temperature of 200 deg. C. In addition, a low resistivity of 7.97x10{sup -4} {omega} cm and average transmittances above about 80% in the visible wavelength range were obtained in a BZO film prepared at a substrate temperature of 100 deg. C and an O{sub 2} gas flow rate of 10 SCCM (SCCM denotes cubic centimeter per minute at STP). The deposition rate of BZO films was typically 170 nm/min with a cathode plasma power of 4.5 kW.

  5. Pyroelectric-field driven defects diffusion along c-axis in ZnO nanobelts under high-energy electron beam irradiation

    SciTech Connect (OSTI)

    Ding, Yong Liu, Ying; Niu, Simiao; Wu, Wenzhuo; Wang, Zhong Lin

    2014-10-21

    When ZnO nanobelts are exposed to a high-dose electron probe of several nanometers to hundred nanometers in diameter inside a transmission electron microscope, due to the radiolysis effect, part of oxygen atoms will be ejected into the vacuum and leaving a Zn-ion rich surface with a pit appearance at both the electron-entrance and electron-exit surfaces. At the same time, a temperature distribution is created around the electron probe due to local beam heating effect, which generates a unidirectional pyroelectric field. This pyroelectric field is strong enough to drive Zn ions moving along its positive c-axis direction as interstitial ions. In the first case, for the ZnO nanobelts with c-axis lie in their large surfaces, defects due to the aggregation of Zn interstitial ions will be formed at some distances of 3050 nm approximately along the c-axis direction from the electron beam illuminated area. Alternatively, for the ZnO nanobelts with (0001) planes as their large surfaces, the incident electron beam is along its c-axis and the generated pyroelectric field will drive the interstitial Zn-ions to aggregate at the Zn terminated (0001) surface where the local electrical potential is the lowest. Such electron beam induced damage in ZnO nanostructures is suggested as a result of Zn ion diffusion driven by the temperature gradient induced pyroelectric field along c-axis. Our study shows a radiation damage caused by electron beam in transmission electron microscopy, especially when the electron energy is high.

  6. Probing the effect of electron acceptor structure and morphology on charge separation in ZnO/P3HT hybrid photovoltaics using steady-state transient photoinduced absorption.

    SciTech Connect (OSTI)

    Davis, Robert Jackson; Lloyd, Matthew T.; Ferreira, Summer Rhodes; Lee, Yun-Ju; Hsu, Julia W. P.

    2010-04-01

    Hybrid cells based on ZnO/P3HT heterojunctions have the advantage of better device stability, but suffer poor photovoltaic performance compared to all-organic cells which use PCBM as the electron acceptor. The photovoltaic effect in these hybrid systems is accomplished via photoinduced charge separation at the interface between the absorbing polymer (P3HT) and the electron acceptor (ZnO). Efforts to improve device performance in these hybrid systems have centered on reducing the required diffusion length for P3HT excitons by creating bulk heterojunctions from either ZnO nanoparticles and P3HT or using ZnO precursors which convert in situ to form ZnO networks inside a polymer matrix. In this study, we use transient photoinduced absorption to access the lifetimes of P3HT polarons and excitons in bulk heterojunctions constructed using P3HT and ZnO nanoparticles or ZnO precursors and compare to those in planar ZnO/P3HT devices. Steady-state photoinduced absorption spectra of ZnO/P3HT show characteristic of sub-bandgap transitions associated with the formation of long-lived (msec lifetimes) radical cations (polarons) in P3HT. Similar short-lived polarons (psec lifetimes) are observed by picosecond transient photoinduced absorption in addition to infrared absorption due to excitons. Here we examine the lifetimes of both the excitons and polarons in ZnO:P3HT bulk heterojunctions using both picosecond and millisecond techniques in an effort to understand the effect of the structure and morphology of the electron acceptor on charge separation. We will also compare the relative photoexitation lifetimes, hence charge separation efficiency, for the planar and bulk heterojunction hybrid system to an all-organic P3HT:PCBM system.

  7. Measurement of long-range angular correlation and quadrupole anisotropy of pions and (anti)protons in central d+Au collisions at sNN=200 GeV

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Adare, A.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Akimoto, R.; Al-Bataineh, H.; Al-Ta’ani, H.; Alexander, J.; Andrews, K. R.; Angerami, A.; et al

    2015-05-12

    In this study, we present azimuthal angular correlations between charged hadrons and energy deposited in calorimeter towers in central d+Au and aluminum bias p+p collisions at √sNN = 200 GeV. The charged hadron is measured at midrapidity lηl < 0.35, and the energy us measured at large rapidity (–3.7 < η < –3.1, Au-going direction). An enhanced near-side angular correlation across lΔηl > 2.75 is observed in d+Au collisions. Using the event plane method applied to the Au-going energy distribution, we extract the anisotropy strength v₂ for inclusive charged hadrons at midrapidity up to pT = 4.5 GeV/c. We alsomore » present the measurement of v₂ for identified π± and (anti)protons in central d+Au collisions, and observe a mass-ordering pattern similar to that seen in heavy ion collisions. These results are compared with viscous hydrodynamic calculations and measurements from p+Pb at √sNN = 5.02 TeV. The magnitude of the mass-ordering in d+Au is found to be smaller than that in p+Pb collisions, which may indicate smaller radial flow in lower energy d+Au collisions.« less

  8. Conductivity and touch-sensor application for atomic layer deposition ZnO and Al:ZnO on nylon nonwoven fiber mats

    SciTech Connect (OSTI)

    Sweet, William J.; Oldham, Christopher J.; Parsons, Gregory N.

    2015-01-15

    Flexible electronics and wearable technology represent a novel and growing market for next generation devices. In this work, the authors deposit conductive zinc oxide films by atomic layer deposition onto nylon-6 nonwoven fiber mats and spun-cast films, and quantify the impact that deposition temperature, coating thickness, and aluminum doping have on the conductivity of the coated substrates. The authors produce aluminum doped zinc oxide (AZO) coated fibers with conductivity of 230?S/cm, which is ?6 more conductive than ZnO coated fibers. Furthermore, the authors demonstrate AZO coated fibers maintain 62% of their conductivity after being bent around a 3?mm radius cylinder. As an example application, the authors fabricate an all-fiber pressure sensor using AZO coated nylon-6 electrodes. The sensor signal scales exponentially under small applied force (<50?g/cm{sup 2}), yielding a ?10{sup 6} current change under 200?g/cm{sup 2}. This lightweight, flexible, and breathable touch/force sensor could function, for example, as an electronically active nonwoven for personal or engineered system analysis and diagnostics.

  9. Preparation, characterization of the Ta-doped ZnO nanoparticles and their photocatalytic activity under visible-light illumination

    SciTech Connect (OSTI)

    Kong Jizhou; Li Aidong; Zhai Haifa; Gong Youpin; Li Hui; Wu Di

    2009-08-15

    This paper describes a novel catalyst of the Ta-doped ZnO nanocrystals prepared by a modified polymerizable complex method using the water-soluble tantalum precursor as the sources of Ta. The catalysts were characterized by means of various analytical techniques as a function of Ta content (x=0-4 mol%) systematically. A remarkable advantage of the results was confirmed that dopant Ta enhanced the visible-light absorption of ZnO and the low-solubility tantalum doping could restrain the growth of crystal and minish the particle size. The relationship between the physicochemical property and the photocatalytic performance was discussed, and it was found that the photocatalytic activity in the photochemical degradation of methylene blue under visible-light irradiation (lambda>=420 nm) was dependent on the contents of the dopant, which could affect the particle size, concentration of surface hydroxyl groups and active hydrogen-related defect sites, and the visible-light absorption. The highest photocatalytic activity was obtained for the 1.0 mol% Ta-doped ZnO sample. - Graphical abstract: The addition of the tantalum into ZnO prepared by a modified polymerizable complex method not only restrains the growth of crystal, minish the particle size, but also changes the nanocrystal morphology.

  10. Synthesis of Zn/Co/Fe-layered double hydroxide nanowires with controllable morphology in a water-in-oil microemulsion

    SciTech Connect (OSTI)

    Wu Hongyu; Jiao Qingze; Zhao Yun; Huang Silu; Li Xuefei; Liu Hongbo; Zhou Mingji

    2010-02-15

    The Zn/Co/Fe-layered double hydroxide nanowires were synthesized via a reverse microemulsion method by using cetyltrimethyl ammonium bromide (CTAB) /n-hexane/n-hexanol/water as Soft-Template. ZnSO{sub 4}, CoSO{sub 4}, Fe{sub 2}(SO{sub 4}){sub 3} and urea were used as raw materials. The influence of reaction temperature, time, urea concentration and Cn (molar ratio of cetyltrimethyl ammonium bromide to water) on the structure and morphology of Zn/Co/Fe-layered double hydroxides was investigated. The samples were characterized using Transmission Electron Microscopy (TEM), Inductively Coupled Plasma (ICP), X-ray Diffraction (XRD) and Infrared Absorption Spectrum (IR). The results indicate that higher temperature is beneficial to the formation of layered double hydroxides, but particles apart from nanowires could be produced if temperature is up to 120 deg. C. By varying the temperature, reaction time, urea concentration and Cn, we got the optimum conditions of synthesizing uniform Zn/Co/Fe-layered double hydroxide nanowires: 100 deg. C, more than 12 h, Cn: 30-33, urea concentration: 0.3 M.

  11. Mechanochemical synthesis of tungsten carbide nano particles by using WO{sub 3}/Zn/C powder mixture

    SciTech Connect (OSTI)

    Hoseinpur, Arman; Vahdati Khaki, Jalil; Marashi, Maryam Sadat

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ? Nano particles of WC are synthesized by mechanochemical process. ? Zn was used to reduce WO{sub 3}. ? By removing ZnO from the milling products with an acid leaching, WC will be the final products. ? XRD results showed that the reduction reactions were completed after 36 h. ? TEM and SEM images showed that the morphology of produced powder is nearly spherical like. -- Abstract: In this research we introduce a new, facile, and economical system for fabrication of tungsten carbide (WC) nano particle powder. In this system WO{sub 3}, Zn, and C have been ball-milled for several hours, which led to the synthesis of tungsten carbide nano particles. The synthesized WC can successfully be separated from the ball-milled product by subjecting the product powder to diluted HCl for removing ZnO and obtaining WC. X-ray diffraction (XRD) analysis indicates that the reduction of WO{sub 3} will be completed gradually by increasing milling time up to 36 h. Scanning electron microscope (SEM), and transmission electron microscope (TEM) images show that after 36 h of milling the particle size of the fabricated powder is nano metric (about 20 nm). Results have shown that this system can surmount some main problems occurred in previous similar WC synthesizing systems. For example carbothermic reduction reactions, which lead to the synthesis of W{sub 2}C instead of WC, would not be activated because in this system reactions take place gradually.

  12. Passivation of Zn{sub 3}P{sub 2} substrates by aqueous chemical etching and air oxidation

    SciTech Connect (OSTI)

    Kimball, Gregory M.; Bosco, Jeffrey P.; Mueller, Astrid M.; Tajdar, Syed F.; Brunschwig, Bruce S.; Atwater, Harry A.; Lewis, Nathan S.

    2012-11-15

    Surface recombination velocities measured by time-resolved photoluminescence and compositions of Zn{sub 3}P{sub 2} surfaces measured by x-ray photoelectron spectroscopy (XPS) have been correlated for a series of wet chemical etches of Zn{sub 3}P{sub 2} substrates. Zn{sub 3}P{sub 2} substrates that were etched with Br{sub 2} in methanol exhibited surface recombination velocity values of 2.8 Multiplication-Sign 10{sup 4} cm s{sup -1}, whereas substrates that were further treated by aqueous HF-H{sub 2}O{sub 2} exhibited surface recombination velocity values of 1.0 Multiplication-Sign 10{sup 4} cm s{sup -1}. Zn{sub 3}P{sub 2} substrates that were etched with Br{sub 2} in methanol and exposed to air for 1 week exhibited surface recombination velocity values of 1.8 Multiplication-Sign 10{sup 3} cm s{sup -1}, as well as improved ideality in metal/insulator/semiconductor devices.

  13. Understanding the Mechanism of Solvent-Mediated Adhesion of Vacuum Deposited Au and Pt Thin Films onto PMMA Substrates

    SciTech Connect (OSTI)

    Mo, Alan K [ORNL; Brown, Victoria L. [James Madison University; Rugg, Brandon K. [James Madison University; Devore, Prof. Thomas C. [James Madison University; Meyer III, Harry M [ORNL; Hu, Dr. Xiaofeng [James Madison University; Hughes, Prof. W. Christopher [James Madison University; Augustine, Prof. Brian H. [James Madison University

    2012-01-01

    The adhesion of 100 nm thick electron-beam deposited Au and Pt and magnetron sputtered Au thin films onto poly(methyl methacrylate) (PMMA) substrates can be significantly enhanced to over 90% adhesion by either spin-casting or vapor-exposure to hydrohalocarbon solvents prior to metal deposition compared to samples that are either cleaned in isopropyl alcohol or pre-treated with a remote O2 plasma. X-ray photoelectron spectroscopy (XPS) and evolved gas Fourier transform infrared spectroscopy (EGA-FTIR) reveal the presence of residual halogenated solvent molecules at the PMMA surface which chemically activates the surface to produce a stable chemical interaction between the noble metal film and the PMMA. Density functional theory (DFT) calculations show that the halogenated solvent molecules preferentially form a Lewis acid-base adduct with the oxygen atoms in the ester group in PMMA which is consistent with the measured enthalpy of desorption of chloroform (CHCl3) on PMMA determined by EGA-FTIR to be 36 kJ mol-1. The DFT model also supports the experimentally observed change in the high resolution XPS O 1s peak at 533.77 eV after metallization attributed to a change in the local bonding environment of the bridging O in the PMMA ester group. DFT also predicts that the deposited metal atom (M) inserts into the C-X bond where X is the halogen atom on either CHCl3 or bromoform (CHBr3) to form a O M X interaction that is observed by a M-X bond in the high resolution XPS Cl 2p3/2 peak at 198.03 eV and Br 3p3/2 peak at 182.06 eV. A range of solvents with differing polarities for PMMA pre-treatment have been used and it is proposed that non-complexing solvents result in significant metal adhesion improvement. The Gutmann acceptor number can be used to predict the effectiveness of solvent treatment for noble metal adhesion. A model is proposed in which the bond energy of the C-X bond of the solvent must be sufficiently low so that the C-X bond can be cleaved to form the M-X bond. Supporting this model, a negative control of vapor phase exposure to fluoroform (CHF3) is shown to have no effect on noble metal adhesion due to the higher bond dissociation energy of the C-F bond compared to the C-Cl and C-Br bond energy. The surface activation of vapor-phase exposed PMMA surfaces is technologically significant for the fabrication of polymer microdevices requiring Au or Pt metallization.

  14. Preparation, characterization and photocatalytic activity of visible-light-driven plasmonic Ag/AgBr/ZnFe{sub 2}O{sub 4} nanocomposites

    SciTech Connect (OSTI)

    Li, Xiaojuan Tang, Duanlian; Tang, Fan; Zhu, Yunyan; He, Changfa; Liu, Minghua Lin, Chunxiang; Liu, Yifan

    2014-08-15

    Highlights: A plasmonic Ag/AgBr/ZnFe{sub 2}O{sub 4} photocatalyst has been successfully synthesized. Ag/AgBr/ZnFe{sub 2}O{sub 4} nanocomposites exhibit high visible light photocatalytic activity. Ag/AgBr/ZnFe{sub 2}O{sub 4} photocatalyst is stable and magnetically separable. - Abstract: A visible-light-driven plasmonic Ag/AgBr/ZnFe{sub 2}O{sub 4} nanocomposite has been successfully synthesized via a depositionprecipitation and photoreduction through a novel one-pot process. X-ray diffraction spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy, transmission electron microscopy and UVvis diffuse reflectance spectroscopy were employed to investigate the crystal structure, chemical composition, morphology, and optical properties of the as-prepared nanocomposites. The photocatalytic activities of the nanocomposites were evaluated by photodegradation of Rhodamine B (RhB) and phenol under visible light. The results demonstrated that the obtained Ag/AgBr/ZnFe{sub 2}O{sub 4} nanocomposites exhibited higher photocatalytic activity as compared to pure ZnFe{sub 2}O{sub 4}. In addition, the sample photoreduced for 20 min and calcined at 500 C achieved the highest photocatalytic activity. Furthermore, the Ag/AgBr/ZnFe{sub 2}O{sub 4} nanocomposite has high stability under visible light irradiation and could be conveniently separated by using an external magnetic field.

  15. Effects of rapid thermal annealing on the structural and local atomic properties of ZnO: Ge nanocomposite thin films

    SciTech Connect (OSTI)

    Ceylan, Abdullah Ozcan, Sadan; Rumaiz, Abdul K.; Caliskan, Deniz; Ozbay, Ekmel; Woicik, J. C.

    2015-03-14

    We have investigated the structural and local atomic properties of Ge nanocrystals (Ge-ncs) embedded ZnO (ZnO: Ge) thin films. The films were deposited by sequential sputtering of ZnO and Ge thin film layers on z-cut quartz substrates followed by an ex-situ rapid thermal annealing (RTA) at 600 °C for 30, 60, and 90 s under forming gas atmosphere. Effects of RTA time on the evolution of Ge-ncs were investigated by x-ray diffraction (XRD), scanning electron microscopy (SEM), hard x-ray photoelectron spectroscopy (HAXPES), and extended x-ray absorption fine structure (EXAFS). XRD patterns have clearly shown that fcc diamond phase Ge-ncs of sizes ranging between 18 and 27 nm are formed upon RTA and no Ge-oxide peak has been detected. However, cross-section SEM images have clearly revealed that after RTA process, Ge layers form varying size nanoclusters composed of Ge-ncs regions. EXAFS performed at the Ge K-edge to probe the local atomic structure of the Ge-ncs has revealed that as prepared ZnO:Ge possesses Ge-oxide but subsequent RTA leads to crystalline Ge structure without the oxide layer. In order to study the occupied electronic structure, HAXPES has been utilized. The peak separation between the Zn 2p and Ge 3d shows no significant change due to RTA. This implies little change in the valence band offset due to RTA.

  16. Co-assembly of Zn(SPh){sub 2} and organic linkers into helical and zig-zag polymer chains

    SciTech Connect (OSTI)

    Liu Yi; Yu Lingmin; Loo, Say Chye Joachim; Blair, Richard G.; Zhang Qichun

    2012-07-15

    Two novel one-dimensional coordination polymers, single helicate [Zn(SPh){sub 2}(TPyTA)(EG)]{sub n} (EG=ethylene glycol) (1) and zig-zag structure [Zn(SPh){sub 2}(BPyVB)]{sub n} (2), were synthesized under solvothermal conditions at 150 Degree-Sign C or room temperature by the co-assembly of Zn(SPh){sub 2} and organic linkers such as 2,4,6-tri(4-pyridyl)-1,3,5-triazine (TPyTA) and 1,3-bis(trans-4-pyridylvinyl)benzene (BPyVB). X-ray crystallography study reveals that both polymers 1 and 2 crystallize in space group P2{sub 1}/c of the monoclinic system. The solid-state UV-vis absorption spectra show that 1 and 2 have maxium absorption onsets at 400 nm and 420 nm, respectively. TGA analysis indicates that 1 and 2 are stable up to 110 Degree-Sign C and 210 Degree-Sign C. - Graphical abstract: Two novel one-dimensional coordination polymers, single helicate [Zn(SPh){sub 2}(TPyTA)(EG)]{sub n} (1) and zig-zag structure [Zn(SPh){sub 2}(BPyVB)]{sub n} (2), were synthesized. Solid-state UV-vis absorptions show that 1 and 2 have maxium absorption onsets at 400 nm and 420 nm, respectively. TGA analysis indicates that 1 and 2 are stable up to 110 Degree-Sign C and 210 Degree-Sign C. Highlights: Black-Right-Pointing-Pointer Two novel one-dimensional coordination polymers have been synthesized. Black-Right-Pointing-Pointer TPyTA results in helical structures in 1 while BPyVB leads to zig-zag chains in 2. Black-Right-Pointing-Pointer Solid-state UV-vis absorption spectra and TGA analysis of the title polymers were studied.

  17. Surface strain engineering through Tb doping to study the pressure dependence of exciton-phonon coupling in ZnO nanoparticles

    SciTech Connect (OSTI)

    Sharma, A.; Dhar, S. Singh, B. P.; Nayak, C.; Bhattacharyya, D.; Jha, S. N.

    2013-12-07

    A compressive hydrostatic strain has been found to develop in the ZnO lattice as a result of accumulation of Tb ions on the surface of the nanoparticles for Tb mole-fraction less than 0.04. This hydrostatic strain can be controlled up to ?14?GPa by varying the Tb mole-fraction. Here, we have utilized this novel technique of surface strain engineering through Tb doping for introducing hydrostatic compressive strain in the lattice to study the pressure dependent electronic and vibrational properties of ZnO nanoparticles. Our study reveals that when subjected to pressure, nanoparticles of ZnO behave quite differently than bulk in many aspects. Unlike bulk ZnO, which is reported to go through a wurtzite to rock-salt structural phase transition at ?8?GPa, ZnO nanoparticles do not show such transition and remain in wurtzite phase even at 14?GPa of pressure. Furthermore, the Grneisen parameters for the optical phonon modes are found to be order of magnitude smaller in ZnO nanoparticles as compared to bulk. Our study also suggests an increase of the dielectric constant with pressure, which is opposite to what has been reported for bulk ZnO. Interestingly, it has also been found that the exciton-phonon interaction depends strongly upon pressure in this system. The exciton-phonon coupling has been found to decrease as pressure increases. A variational technique has been adopted to theoretically calculate the exciton-LO phonon coupling coefficient in ZnO nanoparticles as a function of pressure, which shows a good agreement with the experimental results. These findings imply that surface engineering of ZnO nanoparticles with Tb could indeed be an efficient tool to enhance and control the optical performance of this material.

  18. The use of novel biodegradable, optically active and nanostructured poly(amide-ester-imide) as a polymer matrix for preparation of modified ZnO based bionanocomposites

    SciTech Connect (OSTI)

    Abdolmaleki, Amir; Nanotechnology and Advanced Materials Institute, Isfahan University of Technology, Isfahan 84156-83111, Islamic Republic of Iran ; Mallakpour, Shadpour; Nanotechnology and Advanced Materials Institute, Isfahan University of Technology, Isfahan 84156-83111, Islamic Republic of Iran ; Borandeh, Sedigheh

    2012-05-15

    Highlights: Black-Right-Pointing-Pointer A novel biodegradable and nanostructured PAEI based on two amino acids, was synthesized. Black-Right-Pointing-Pointer ZnO nanoparticles were modified via two different silane coupling agents. Black-Right-Pointing-Pointer PAEI/modified ZnO BNCs were synthesized through ultrasound irradiation. Black-Right-Pointing-Pointer ZnO particles were dispersed homogeneously in PAEI matrix on nanoscale. Black-Right-Pointing-Pointer The effect of ZnO nanoparticles on the properties of synthesized polymer was examined. -- Abstract: A novel biodegradable and nanostructured poly(amide-ester-imide) (PAEI) based on two different amino acids, was synthesized via direct polycondensation of biodegradable N,N Prime -bis[2-(methyl-3-(4-hydroxyphenyl)propanoate)]isophthaldiamide and N,N Prime -(pyromellitoyl)-bis-L-phenylalanine diacid. The resulting polymer was characterized by FT-IR, {sup 1}H NMR, specific rotation, elemental analysis, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), X-ray diffraction (XRD) and field emission scanning electron microscopy (FE-SEM) analysis. The synthesized polymer showed good thermal stability with nano and sphere structure. Then PAEI/ZnO bionanocomposites (BNCs) were fabricated via interaction of pure PAEI and ZnO nanoparticles. The surface of ZnO was modified with two different silane coupling agents. PAEI/ZnO BNCs were studied and characterized by FT-IR, XRD, UV/vis, FE-SEM and TEM. The TEM and FE-SEM results indicated that the nanoparticles were dispersed homogeneously in PAEI matrix on nanoscale. Furthermore the effect of ZnO nanoparticle on the thermal stability of the polymer was investigated with TGA and DSC technique.

  19. Co-Evaporated Cu2ZnSnSe4 Films and Devices

    SciTech Connect (OSTI)

    Repins, I.; Beall, C.; Vora, N.; DeHart, C.; Kuciauskas, D.; Dippo, P.; To, B.; Mann, J.; Hsu, W. C.; Goodrich, A.; Noufi, R.

    2012-06-01

    The use of vacuum co-evaporation to produce Cu2ZnSnSe4 photovoltaic devices with 9.15% total-area efficiency is described. These new results suggest that the early success of the atmospheric techniques for kesterite photovoltaics may be related to the ease with which one can control film composition and volatile phases, rather than a fundamental benefit of atmospheric conditions for film properties. The co-evaporation growth recipe is documented, as is the motivation for various features of the recipe. Characteristics of the resulting kesterite films and devices are shown in scanning electron micrographs, including photoluminescence, current-voltage, and quantum efficiency. Current-voltage curves demonstrate low series resistance without the light-dark cross-over seen in many devices in the literature. Band gap indicated by quantum efficiency and photoluminescence is roughly consistent with that expected from first principles calculation.

  20. Enhanced stimulated emission in ZnO thin films using microdisk top-down structuring

    SciTech Connect (OSTI)

    Nomenyo, K.; Kostcheev, S.; Lrondel, G.; Gadallah, A.-S.; Rogers, D. J.

    2014-05-05

    Microdisks were fabricated in zinc oxide (ZnO) thin films using a top-down approach combining electron beam lithography and reactive ion etching. These microdisk structured thin films exhibit a stimulated surface emission between 3 and 7 times higher than that from a reference film depending on the excitation power density. Emission peak narrowing, reduction in lasing threshold and blue-shifting of the emission wavelength were observed along with enhancement in the emitted intensity. Results indicate that this enhancement is due to an increase in the internal quantum efficiency combined with an amplification of the stimulated emission. An analysis in terms of waveguiding is presented in order to explain these effects. These results demonstrate that very significant gains in emission can be obtained through conventional microstructuration without the need for more onerous top-down nanostructuration techniques.