National Library of Energy BETA

Sample records for br ant-eden ald

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

    Energy Information Administration (EIA) (indexed site)

    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 ...

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

    Energy Information Administration (EIA) (indexed site)

    No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1000 MBOE 1000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Appalachian Basin Boundary C a n a d a N Y P A N Y U S ...

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

    Energy Information Administration (EIA) (indexed site)

    No 2001 Liiquids Reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1000 Mbbl 1000.1 - 10,000 Mbbl Appalachian Basin Boundary C a n a d a N Y P A N Y U S A Appalachian Basin, NY Area ...

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

    Energy Information Administration (EIA) (indexed site)

    Liquids Reserve Class No 2001 Liiquids Reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1000 Mbbl 1000.1 - 10,000 Mbbl Appalachian Basin Boundary C a n a d a N Y P A N Y U S A ...

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

    Energy Information Administration (EIA) (indexed site)

    BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1000 MBOE 1000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Appalachian Basin Boundary C a n a d ...

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

    Gasoline and Diesel Fuel Update

    ... Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). ...

  7. br Owner br Facility br Type br Capacity br MW br Commercial...

    OpenEI (Open Energy Information) [EERE & EIA]

    Owner br Facility br Type br Capacity br MW br Commercial br Online br Date br Geothermal br Area br Geothermal br Region Coordinates Ahuachapan Geothermal Power Plant LaGeo SA de...

  8. ALD Nanosolutions | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    ALD Nanosolutions was selected as one of 8 companies to receive a small business innovation grant from the U.S. Department of Energy. They received 150,00 for development of a...

  9. ALD Reactor for Coating Porous Substrates | Argonne National Laboratory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ALD Reactor for Coating Porous Substrates Technology available for licensing: The invention is an improved ALD reactor for coating substrates, particularly porous substrates having an aspect ratio, defined as pore length divided by pore diameter, of greater than about 10-1000, and a high surface area by virtue of the porosity. The system includes a top showerhead plate, a substrate and a bottom showerhead plate. The substrate includes a porous microchannel plate and a substrate holder is

  10. Atomic Layer Deposition (ALD) Preparation of Noble Metal Catalysts - Energy

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Innovation Portal Hydrogen and Fuel Cell Hydrogen and Fuel Cell Energy Storage Energy Storage Advanced Materials Advanced Materials Find More Like This Return to Search Atomic Layer Deposition (ALD) Preparation of Noble Metal Catalysts Applications in fuel cells, batteries, environmental remediation, water treatment and catalytic reforming for fuel production. University of Colorado Contact CU About This Technology Publications: PDF Document Publication CU2465B (ALD Catalyst) Marketing

  11. LAMMPS | Argonne Leadership Computing Facility

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    BOE Reserve Class No 2001 reserves 0.1 - 10 MBOE 10.1 - 100 MBOE 100.1 - 1000 MBOE 1000.1 - 10,000 MBOE 10,000.1 - 100,000 MBOE > 100,000 MBOE Appalachian Basin Boundary C a n a d a N Y P A N Y U S A Appalachian Basin, NY Area (Panel 1 of 7) Oil and Gas Fields By 2001 BOE

    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

  12. Impact of ALD Coating on Mn-rich Cathode Materials (Presentation)

    SciTech Connect

    Santhanagopalan, S.

    2013-06-01

    LG Chem Power Inc. (LGCPI) and NREL have collaborated to demonstrate the scalability of the atomic layer deposition (ALD) coating process over the last 6 months, and the benefits of ALD coatings for long-term cycling and calendar life are being quantified. The objectives of this work are two-fold: 1) to evaluate the scalability of the process to coat LGCPI cathodes with alumina using the ALD technique, and 2) to demonstrate improvements in rate capability and life of ALD-coated LGCPI electrodes. NREL received samples of baseline material to be coated from LGCPI. NREL carried out ALD coating of the samples with help from a subcontractor, ALD Nanosolutions. NREL fabricated cells from those samples for quick screening and feedback to ALD Nanosolutions. LGCPI is currently fabricating larger-format cells for further evaluation.

  13. Final Report: Novel ALD-Coated Nanoparticle Anodes for Enhanced Performance Lithium-Ion Batteries

    SciTech Connect

    Groner, Markus

    2009-04-16

    The Phase I effort is described in detail in the Phase I report given below. The key accomplishments of the Phase I project were (1) the demonstration of high stability LiCoO2 cathodes using ALD-coated LiCoO2 particles, as well as on ALD-coated LiCoO2 electrodes and (2) the demonstration of high stability of graphite anodes using ALD-coated graphite electrodes.

  14. Jatropha BR | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    BR Jump to: navigation, search Name: Jatropha BR Place: Brazil Product: Brazilian-based consortium of five leading Brazilian companies engaged in the integrated jatropha curcas...

  15. ALD Functionalized Nanoporous Gold: Thermal Stability, Mechanical Properties, and Catalytic Activity

    SciTech Connect

    Biener, M M; Biener, J; Wichmann, A; Wittstock, A; Baumann, T F; Baeumer, M; Hamza, A V

    2011-03-24

    Nanoporous metals have many technologically promising applications but their tendency to coarsen limits their long-term stability and excludes high temperature applications. Here, we demonstrate that atomic layer deposition (ALD) can be used to stabilize and functionalize nanoporous metals. Specifically, we studied the effect of nanometer-thick alumina and titania ALD films on thermal stability, mechanical properties, and catalytic activity of nanoporous gold (np-Au). Our results demonstrate that even only one-nm-thick oxide films can stabilize the nanoscale morphology of np-Au up to 1000 C, while simultaneously making the material stronger and stiffer. The catalytic activity of np-Au can be drastically increased by TiO{sub 2} ALD coatings. Our results open the door to high temperature sensor, actuator, and catalysis applications and functionalized electrodes for energy storage and harvesting applications.

  16. ALD of Al2O3 for Highly Improved Performance in Li-Ion Batteries

    SciTech Connect

    Dillon, A.; Jung, Y. S.; Ban, C.; Riley, L.; Cavanagh, A.; Yan, Y.; George, S.; Lee, S. H.

    2012-01-01

    Significant advances in energy density, rate capability and safety will be required for the implementation of Li-ion batteries in next generation electric vehicles. We have demonstrated atomic layer deposition (ALD) as a promising method to enable superior cycling performance for a vast variety of battery electrodes. The electrodes range from already demonstrated commercial technologies (cycled under extreme conditions) to new materials that could eventually lead to batteries with higher energy densities. For example, an Al2O3 ALD coating with a thickness of ~ 8 A was able to stabilize the cycling of unexplored MoO3 nanoparticle anodes with a high volume expansion. The ALD coating enabled stable cycling at C/2 with a capacity of ~ 900 mAh/g. Furthermore, rate capability studies showed the ALD-coated electrode maintained a capacity of 600 mAh/g at 5C. For uncoated electrodes it was only possible to observe stable cycling at C/10. Also, we recently reported that a thin ALD Al2O3 coating with a thickness of ~5 A can enable natural graphite (NG) electrodes to exhibit remarkably durable cycling at 50 degrees C. The ALD-coated NG electrodes displayed a 98% capacity retention after 200 charge-discharge cycles. In contrast, bare NG showed a rapid decay. Additionally, Al2O3 ALD films with a thickness of 2 to 4 A have been shown to allow LiCoO2 to exhibit 89% capacity retention after 120 charge-discharge cycles performed up to 4.5 V vs Li/Li+. Bare LiCoO2 rapidly deteriorated in the first few cycles. The capacity fade is likely caused by oxidative decomposition of the electrolyte at higher potentials or perhaps cobalt dissolution. Interestingly, we have recently fabricated full cells of NG and LiCoO2 where we coated both electrodes, one or the other electrode as well as neither electrode. In creating these full cells, we observed some surprising results that lead us to obtain a greater understanding of the ALD coatings. We have also recently coated a binder free LiNi0.04Mn0

  17. Towards ALD thin film stabilized single-atom Pd 1 catalysts

    DOE PAGES [OSTI]

    Piernavieja-Hermida, Mar; Lu, Zheng; White, Anderson; Low, Ke-Bin; Wu, Tianpin; Elam, Jeffrey W.; Wu, Zili; Lei, Yu

    2016-07-27

    Supported precious metal single-atom catalysts have shown interesting activity and selectivity in recent studies. However, agglomeration of these highly mobile mononuclear surface species can eliminate their unique catalytic properties. In this paper, we study a strategy for synthesizing thin film stabilized single-atom Pd1 catalysts using atomic layer deposition (ALD). The thermal stability of the Pd1 catalysts is significantly enhanced by creating a nanocavity thin film structure. In situ infrared spectroscopy and Pd K-edge X-ray absorption spectroscopy (XAS) revealed that the Pd1 was anchored on the surface through chlorine sites. The thin film stabilized Pd1 catalysts were thermally stable under bothmore » oxidation and reduction conditions. The catalytic performance in the methanol decomposition reaction is found to depend on the thickness of protecting layers. While Pd1 catalysts showed promising activity at low temperature in a methanol decomposition reaction, 14 cycle TiO2 protected Pd1 was less active at high temperature. Pd L3 edge XAS indicated that the low reactivity compared with Pd nanoparticles is due to the strong adsorption of carbon monoxide even at 250 °C. Lastly, these results clearly show that the ALD nanocavities provide a basis for future design of single-atom catalysts that are highly efficient and stable.« less

  18. Photoinduced Br Desorption from CsBr Thin Films Grown on Cu(100)

    SciTech Connect

    Halliday, Matthew T.; Joly, Alan G.; Hess, Wayne P.; Shluger, AL

    2015-10-22

    Thin films of CsBr deposited onto metals such as copper are potential photocathode materials for light sources and other applications. We investigate desorption dynamics of Br atoms from CsBr films grown on insulator (KBr, LiF) and metal (Cu) substrates induced by sub-bandgap 6.4 eV laser pulses. The experimental results demonstrate that the peak kinetic energy of Br atoms desorbed from CsBr/Cu films is much lower than that for the hyperthermal desorption from CsBr/LiF films. Kelvin probe measurements indicate negative charge at the surface following Br desorption from CsBr/Cu films. Our ab initio calculations of excitons at CsBr surfaces demonstrate that this behavior can be explained by an exciton model of desorption including electron trapping at the CsBr surface. Trapped negative charges reduce the energy of surface excitons available for Br desorption. We examine the electron-trapping characteristics of low-coordinated sites at the surface, in particular, divacancies and kink sites. We also provide a model of cation desorption caused by Franck-Hertz excitation of F centers at the surface in the course of irradiation of CsBr/Cu films. These results provide new insights into the mechanisms of photoinduced structural evolution of alkali halide films on metal substrates and activation of metal photocathodes coated with CsBr.

  19. 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

    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}.

  20. High energy XeBr electric discharge laser

    DOEpatents

    Sze, Robert C.; Scott, Peter B.

    1981-01-01

    A high energy XeBr laser for producing coherent radiation at 282 nm. The XeBr laser utilizes an electric discharge as the excitation source to minimize formation of molecular ions thereby minimizing absorption of laser radiation by the active medium. Additionally, HBr is used as the halogen donor which undergoes harpooning reactions with Xe.sub.M * to form XeBr*.

  1. High energy XeBr electric discharge laser

    DOEpatents

    Sze, R.C.; Scott, P.B.

    A high energy XeBr laser for producing coherent radiation at 282 nm is disclosed. The XeBr laser utilizes an electric discharge as the excitation source to minimize formation of molecular ions thereby minimizing absorption of laser radiation by the active medium. Additionally, HBr, is used as the halogen donor which undergoes harpooning reactions with Xe/sub M/ to form XeBr.

  2. Enhancing the stability of copper chromite catalysts for the selective hydrogenation of furfural with ALD overcoating (II) – Comparison between TiO2 and Al2O3 overcoatings

    SciTech Connect

    Zhang, Hongbo; Canlas, Christian; Kropf, A. Jeremy; Elam, Jeffrey W.; Dumesic, James A; Marshall, Christopher L.

    2015-01-01

    TiO2 atomic layer deposition (ALD) overcoatings were applied to copper chromite catalysts to increase the stability for 2-furfuraldehyde (“furfural”) hydrogenation. After overcoating, about 75% activity was preserved compared to neat copper chromite: much higher activity than an alumina ALD overcoated catalyst with a similar number of ALD cycles. The effects of ALD TiO2 on the active Cu nanoparticles were studied extensively using both in-situ TPR/isothermal-oxidation and in-situ furfural hydrogenation via Cu XAFS. The redox properties of Cu were modified only slightly by the TiO2 ALD overcoat. However, a subtle electronic interaction was observed between the TiO2 ALD layers and the Cu nanoparticles. With calcination at 500 °C the interaction between the TiO2 overcoat and the underlying catalyst is strong enough to inhibit migration and site blocking by chromite, but is sufficiently weaker than the interaction between the Al2O3 overcoat and copper chromite that it does not strongly inhibit the catalytic activity of the copper nanoparticles.

  3. Improved production of Br atoms near zero speed by photodissociating laser aligned Br{sub 2} molecules

    SciTech Connect

    Deng, L. Z., E-mail: lzdeng@phy.ecnu.edu.cn; Yin, J. P., E-mail: jpyin@phy.ecnu.edu.cn [State Key Laboratory of Precision Spectroscopy, Department of Physics, East China Normal University, Shanghai 200062 (China)

    2014-10-28

    We theoretically investigated the improvement on the production rate of the decelerated bromine (Br) atoms near zero speed by photodissociating laser aligned Br{sub 2} precursors. Adiabatic alignment of Br{sub 2} precursors exposed to long laser pulses with duration on the order of nanoseconds was investigated by solving the time-dependent Schrdinger equation. The dynamical fragmentation of adiabatically aligned Br{sub 2} precursors was simulated and velocity distribution of the Br atoms produced was analyzed. Our study shows that the larger the degree of the precursor alignment, ?cos{sup 2}???, the higher the production rate of the decelerated Br atoms near zero speed. For Br{sub 2} molecules with an initial rotational temperature of ?1 K, a ?cos{sup 2}??? value of ?0.88 can result in an improvement factor of over ?20 on the production rate of the decelerated Br atoms near zero speed, requiring a laser intensity of only ?1 10{sup 12} W/cm{sup 2} for alignment.

  4. ALD TiO2-Al2O3 Stack: An Improved Gate Dielectrics on Ga-polar GaN MOSCAPs

    DOE PAGES [OSTI]

    Wei, Daming; Edgar, James H.; Briggs, Dayrl P.; Srijanto, Bernadeta R.; Retterer, Scott T.; Meyer, III, Harry M.

    2014-10-15

    This research focuses on the benefits and properties of TiO2-Al2O3 nano-stack thin films deposited on Ga2O3/GaN by plasma-assisted atomic layer deposition (PA-ALD) for gate dielectric development. This combination of materials achieved a high dielectric constant, a low leakage current, and a low interface trap density. Correlations were sought between the films’ structure, composition, and electrical properties. The gate dielectrics were approximately 15 nm thick and contained 5.1 nm TiO2, 7.1 nm Al2O3 and 2 nm Ga2O3 as determined by spectroscopic ellipsometry. The interface carbon concentration, as measured by x-ray photoelectron spectroscopy (XPS) depth profile, was negligible for GaN pretreated bymore » thermal oxidation in O2 for 30 minutes at 850°C. The RMS roughness slightly increased after thermal oxidation and remained the same after ALD of the nano-stack, as determined by atomic force microscopy. The dielectric constant of TiO2-Al2O3 on Ga2O3/GaN was increased to 12.5 compared to that of pure Al2O3 (8~9) on GaN. In addition, the nano-stack's capacitance-voltage (C-V) hysteresis was small, with a total trap density of 8.74 × 1011 cm-2. The gate leakage current density (J=2.81× 10-8 A/cm2) was low at +1 V gate bias. These results demonstrate the promising potential of plasma ALD deposited TiO2/Al2O3 for serving as the gate oxide on Ga2O3/GaN based MOS devices.« less

  5. The influence of surface preparation on low temperature HfO{sub 2} ALD on InGaAs (001) and (110) surfaces

    SciTech Connect

    Kent, Tyler; Edmonds, Mary; Kummel, Andrew C.; Tang, Kechao; Negara, Muhammad Adi; McIntyre, Paul; Chobpattana, Varistha; Mitchell, William; Sahu, Bhagawan; Galatage, Rohit; Droopad, Ravi

    2015-10-28

    Current logic devices rely on 3D architectures, such as the tri-gate field effect transistor (finFET), which utilize the (001) and (110) crystal faces simultaneously thus requiring passivation methods for the (110) face in order to ensure a pristine 3D surface prior to further processing. Scanning tunneling microscopy (STM), x-ray photoelectron spectroscopy (XPS), and correlated electrical measurement on MOSCAPs were utilized to compare the effects of a previously developed in situ pre-atomic layer deposition (ALD) surface clean on the InGaAs (001) and (110) surfaces. Ex situ wet cleans are very effective on the (001) surface but not the (110) surface. Capacitance voltage indicated the (001) surface with no buffered oxide etch had a higher C{sub max} hypothesized to be a result of poor nucleation of HfO{sub 2} on the native oxide. An in situ pre-ALD surface clean employing both atomic H and trimethylaluminum (TMA) pre-pulsing, developed by Chobpattana et al. and Carter et al. for the (001) surface, was demonstrated to be effective on the (110) surface for producing low D{sub it} high C{sub ox} MOSCAPs. Including TMA in the pre-ALD surface clean resulted in reduction of the magnitude of the interface state capacitance. The XPS studies show the role of atomic H pre-pulsing is to remove both carbon and oxygen while STM shows the role of TMA pre-pulsing is to eliminate H induced etching. Devices fabricated at 120 °C and 300 °C were compared.

  6. Characterization of high-voltage cathodes in CsBr-LiBr-KBr eutectic electrolyte

    SciTech Connect

    GUIDOTTI,RONALD A.; REINHARDT,FREDERICK W.

    2000-04-20

    The transition-metal oxides LiMn{sub 2}O{sub 4}, MnO{sub 2}, CrO{sub 2}, and LiCoO{sub 2} were evaluated for possible use as high-voltage cathodes for potential geothermal power applications. These were coupled with Li(Si) anodes and a low-melting CsBr-LiBr-KBr eutectic electrolyte that melts at 228.5 C. Single-cell tests at 250 C and 300 C at 15.8 and 31.6 mA/cm{sup 2} showed that MnO{sub 2} performed the best overall and had the lowest polarization. A 5-cell battery test using LiMn{sub 2}O{sub 4} cathodes was only modestly successful due to possible parasitic chemical reactions between the cathode and electrolyte at the much higher temperature (500 C) during discharge. The overall energy densities for these cathode were still less than for FeS{sub 2}.

  7. Preliminary upper limit on BR(D{sup {+-}}{r_arrow}{pi}{sup {...

    Office of Scientific and Technical Information (OSTI)

    Preliminary upper limit on BR(Dsup +-rarrowpisup +-musup +musup -) Citation Details In-Document Search Title: Preliminary upper limit on BR(Dsup ...

  8. Ca2+-Doped CeBr3 Scintillating Materials

    SciTech Connect

    Guss, Paul; Foster, Michael E.; Wong, Bryan M.; Doty, F. Patrick; Shah, Kanai; Squillante, Michael R.; Shirwadkar, Urmila; Hawrami, Rastgo; Tower, Josh; Yuan, Ding

    2014-01-21

    Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr3) and cerium-activated lanthanum tribromide, their commercial availability and application are limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. This investigation employed aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca2+) was used as a dopant to strengthen CeBr3 without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca2+ dopant were grown. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca2+-doped CeBr3 exhibited little or no change in the peak fluorescence emission for 371 nm optical excitation for CeBr3. The structural, electronic, and optical properties of CeBr3 crystals were studied using the density functional theory within the generalized gradient approximation. The calculated lattice parameters are in good agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr3, including the dielectric function, were calculated.

  9. Photoelectron Emission Studies in CsBr at 257 nm

    SciTech Connect

    Maldonado, Juan R.; Liu, Zhi; Sun, Yun; Pianetta, Piero A.; Pease, Fabian W.; /Stanford U., Elect. Eng. Dept. /SLAC, SSRL

    2006-09-28

    CsBr/Cr photocathodes were found [1,2] to meet the requirements of a multi-electron beam lithography system operating with a light energy of 4.8 eV (257nm). The fact that photoemission was observed with a light energy below the reported 7.3 eV band gap for CsBr was not understood. This paper presents experimental results on the presence of intra-band gap absorption sites (IBAS) in CsBr thin film photo electron emitters, and presents a model based on IBAS to explain the observed photoelectron emission behavior at energies below band gap. A fluorescence band centered at 330 nm with a FWHM of about 0.34 eV was observed in CsBr/Cr samples under 257 nm laser illumination which can be attributed to IBAS and agrees well with previously obtained synchrotron photoelectron spectra[1] from the valence band of CsBr films.

  10. Decommissioning of the BR3 reactor: status and perspectives

    SciTech Connect

    Noynaert, L.; Verstraeten, I.

    2007-07-01

    The BR3 plant at Mol in Belgium built at the end of the fifties was the first PWR plant built outside the USA. The reactor had a small net power output (10 MWe) but comprised all the loops and features of a commercial PWR plant. The BR3 plant was operated with the main objective of testing advanced PWR fuels under irradiation conditions similar to those encountered in large commercial PWR plants. The reactor was started in 1962 and shut down in 1987 after 25 years of continuous operation. Since 1989, SCK.CEN is decommissioning the BR3 PWR research reactor. The dismantling of the metallic components including reactor pressure vessel and internals is completed and extensively reported in the literature. The dismantling of auxiliary components and the decontamination of parts of the infrastructure are now going on. The decommissioning progress is continuously monitored and costs and strategy are regularly reassessed. The first part of the paper describes the main results and lessons learned from the reassessment exercises performed in 1994, 1999, 2004 and 2007. Impacts of changes in legal framework on the decommissioning costs will be addressed. These changes concern e.g. licensing aspects, clearance levels, waste management... The middle part of the paper discusses the management of activated and/or contaminated concrete. The costing exercise performed in 1995 highlighted that the management of activated and contaminated concrete is the second main cost item after the dismantling of the reactor pressure vessel and internals. Different possible solutions were studied. These are evacuation as radioactive waste with or without supercompaction, recycling this 'radioactive' grout or concrete for conditioning of radioactive waste e.g. conditioning of metallic waste. The paper will give the results of the cost-benefit analysis made to select the solution retained. The last part of the paper will discuss the end goal of the decommissioning of the BR3. In the final

  11. A preliminary report on the photoionization efficiency spectrum, ionization energy and heat of formation of Br{sub 2}O; and the appearance energy of BrO{sup +} (Br{sub 2}O)

    SciTech Connect

    Thorn, R.P. Jr.; Monks, P.S.; Stief, L.J.; Kuo, S.C.; Zhang, Z.; Klemm, R.B.

    1995-08-01

    We report experimental results for the photoionization efficiency (PIE) spectrum of Br{sub 2}O along with the ionization energy (derived form the ionization threshold) and the appearance energy (AE) of BrO{sup +} (Br{sub 2}O). A value for the heat of formation of Br{sub 2}O is derived form the AE result. Experiments were performed by employing a discharge flow-photoionization mass spectrometer (DF-PIMS) apparatus coupled to beamline U-11 at the National Synchrotron Light Source (NSLS) at Brookhaven National Laboratory.

  12. AmeriFlux BR-Sa3 Santarem-Km83-Logged Forest

    SciTech Connect

    Goulden, Mike

    2016-01-01

    This is the AmeriFlux version of the carbon flux data for the site BR-Sa3 Santarem-Km83-Logged Forest. Site Description - Cleared forest. Logged site is near km 83 along BR-183.

  13. Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption for CHP Applications, April 2005 Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption for CHP...

  14. High gradient rf gun studies of CsBr photocathodes

    SciTech Connect

    Vecchione, Theodore; Maldonado, Juan R.; Gierman, Stephen; Corbett, Jeff; Hartmann, Nick; Pianetta, Piero A.; Hesselink, Lambertus; Schmerge, John F.

    2015-04-03

    CsBr photocathodes have 10 times higher quantum efficiency with only 3 times larger intrinsic transverse emittance than copper. They are robust and can withstand 80 MV/m fields without breaking down or emitting dark current. They can operate in 210?? torr vacuum and survive exposure to air. They are well suited for generating high pulse charge in rf guns without a photocathode transfer system.

  15. High gradient rf gun studies of CsBr photocathodes

    DOE PAGES [OSTI]

    Vecchione, Theodore; Maldonado, Juan R.; Gierman, Stephen; Corbett, Jeff; Hartmann, Nick; Pianetta, Piero A.; Hesselink, Lambertus; Schmerge, John F.

    2015-04-03

    CsBr photocathodes have 10 times higher quantum efficiency with only 3 times larger intrinsic transverse emittance than copper. They are robust and can withstand 80 MV/m fields without breaking down or emitting dark current. They can operate in 2×10⁻⁹ torr vacuum and survive exposure to air. They are well suited for generating high pulse charge in rf guns without a photocathode transfer system.

  16. Improved Growth Methods for LaBr3 Scintillation Radiation Detectors

    SciTech Connect

    McGregor, Douglas S

    2011-05-01

    The objective is to develop advanced materials for deployment as high-resolution gamma ray detectors. Both LaBr3 and CeBr3 are advanced scintillation materials, and will be studied in this research. Prototype devices, in collaboration Sandia National Laboratories, will be demonstrated along with recommendations for mass production and deployment. It is anticipated that improved methods of crystal growth will yield larger single crystals of LaBr3 for deployable room-temperature operated gamma radiation spectrometers. The growth methods will be characterized. The LaBr3 and CeBr3 scintillation crystals will be characterized for light yield, spectral resolution, and for hardness.

  17. Natural Organobromine in Marine Sediments: New Evidence of Biogeochemical Br Cycling

    SciTech Connect

    A Leri; J Hakala; M Marcus; A Lanzirotti; C Reddy; S Myneni

    2011-12-31

    Organobromine (Br{sub org}) compounds, commonly recognized as persistent, toxic anthropogenic pollutants, are also produced naturally in terrestrial and marine systems. Several enzymatic and abiotic bromination mechanisms have been identified, as well as an array of natural Br{sub org} molecules associated with various marine organisms. The fate of the carbon-bromine functionality in the marine environment, however, remains largely unexplored. Oceanographic studies have noted an association between bromine (Br) and organic carbon (C{sub org}) in marine sediments. Even so, there has been no direct chemical evidence that Br in the sediments exists in a stable form apart from inorganic bromide (Br{sub inorg}), which is widely presumed conservative in marine systems. To investigate the scope of natural Br{sub org} production and its fate in the environment, we probed Br distribution and speciation in estuarine and marine sediments using in situ X-ray spectroscopy and spectromicroscopy. We show that Br{sub org} is ubiquitous throughout diverse sedimentary environments, occurring in correlation with C{sub org} and metals such as Fe, Ca, and Zn. Analysis of sinking particulate carbon from the seawater column links the Br{sub org} observed in sediments to biologically produced Br{sub org} compounds that persist through humification of natural organic matter (NOM). Br speciation varies with sediment depth, revealing biogeochemical cycling of Br between organic and inorganic forms as part of the burial and degradation of NOM. These findings illuminate the chemistry behind the association of Br with Corg in marine sediments and cast doubt on the paradigmatic classification of Br as a conservative element in seawater systems.

  18. Novel visible-light AgBr/Ag?PO? hybrids photocatalysts with surface plasma resonance effects

    SciTech Connect

    Wang, Yunfang Li, Xiuli; Wang, Yawen; Fan, Caimei

    2013-06-01

    Three kinds of AgBr/Ag?PO? hybrids were synthesised via an anion-exchange precipitation method and characterised by XRD, XPS, SEM, EDS, and UVvis. The results showed that AgBr/Ag?PO? hybrids displayed much higher photocatalytic activities than single Ag?PO? or AgBr under visible light (?>420 nm), and OH and h? were the major active species during the degradation process. Considering interstitial ions Ag?? on lattice gap of AgBr are easy to become sliver particle, we deduced the possible photocatalytic mechanism could be ascribed to the synergistic effects of the appropriate valence band position of Ag?PO? and AgBr, surface plasmon resonance effect of Ag?, reactive radical species Br?, and the Ag vacancy on the surface of catalysts. - Graphical abstract: The optical absorption and structural morphology of the as-prepared AgBr@Ag?PO? photocatalyst using an anion-exchange precipitation method are conductive to the photocatalytic degradation of organics in water. Highlights: Novel AgBr/Ag?PO? hybrids are synthesised by a facile method. AgBr/Ag?PO? hybrids show excellent photocatalytic activities under visible light. Interstitial ions are in favour of the formation of Ag particle. Surface plasmon resonance effect plays a key factor for light absorption. The photocatalytic mechanism for AgBr/Ag?PO? hybrids is studied.

  19. X-ray photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

    DOE PAGES [OSTI]

    Nelson, A. J.; Voss, L. F.; Beck, P. R.; Graff, R. T.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.; Lee, J. -S.; Kim, H.; Cirignano, L.; et al

    2013-01-12

    We subjected device-grade TlBr to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. As-polished TlBr was treated separately with HCl, SOCl2, Br:MeOH and HF solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p and S 2p core lines were used to evaluate surface chemistry and shallow heterojunction formation. Surface chemistry and valence band electronic structure were correlated with the goal of optimizing the long-term stability and radiation response.

  20. Apparatus for improving the working time of the XeBr laser

    DOEpatents

    Sander, Robert K.; Balog, George; Seegmiller, Emma T.

    1982-01-01

    In XeBr lasers which make use of HBr as the source of bromine, it has been found that the working life of the laser is limited because of dissociation of the HBr in the lasing region to form H.sub.2 and Br.sub.2. Accordingly, apparatus is disclosed for substantially improving the working time of the XeBr laser wherein means are provided for recombining H.sub.2 and Br.sub.2 into HBr and for continuously circulating the gaseous working medium from the lasing region through the recombination region. BACKGROUND OF THE INVENTION

  1. Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption...

    Energy.gov [DOE] (indexed site)

    lithium bromide (LiBr)-water absorption chillers to guide future efforts to develop chillers for combined heat and power (CHP) applications in light-commercial buildings. ...

  2. The Controlling Mechanism for Potential Loss in CH 3 NH 3 PbBr 3 Hybrid

    Office of Scientific and Technical Information (OSTI)

    Solar Cells (Journal Article) | SciTech Connect Journal Article: The Controlling Mechanism for Potential Loss in CH 3 NH 3 PbBr 3 Hybrid Solar Cells Citation Details In-Document Search Title: The Controlling Mechanism for Potential Loss in CH 3 NH 3 PbBr 3 Hybrid Solar Cells We investigated moisture and thermal stability of MAPbBr3 perovskite material. Cubic MAPbBr3 was found to be moisture-insensitive and can avoid the thermal stability issues introduced by low-temperature phase transition

  3. Apparatus for improving the working time of the XeBr laser

    DOEpatents

    Sander, R.K.; Balog, G.; Seegmiller, E.T.

    1980-03-04

    In XeBr lasers which make use of HBr as the source of bromine, it has been found that the working life of the laser is limited because of dissociation of the HBr in the lasing region to form H/sub 2/ and Br/sub 2/. Accordingly, apparatus is disclosed for substantially improving the working time of the XeBr laser wherein means are provided for recombining H/sub 2/ and Br/sub 2/ into HBr and for continuously circulating the gaseous working medium from the lasing region through the recombination region.

  4. Performance of LiAlloy/Ag(2)CrO(4) Couples in Molten CsBr-LiBr-KBr Eutectic

    SciTech Connect

    GUIDOTTI,RONALD A.; REINHARDT,FREDERICK W.

    1999-10-18

    The performance of Li-alloy/CsBr-LiBr-KBr/Ag{sub 2}CrO{sub 4} systems was studied over a temperature range of 250 C to 300 C, for possible use as a power source for geothermal borehole applications. Single cells were discharged at current densities of 15.8 and 32.6 mA/cm{sup 2} using Li-Si and Li-Al anodes. When tested in 5-cell batteries, the Li-Si/CsBr-LiBr-KBr/Ag{sub 2}CrO{sub 4} system exhibited thermal runaway. Thermal analytical tests showed that the Ag{sub 2}CrO{sub 4} cathode reacted exothermically with the electrolyte on activation. Consequently, this system would not be practical for the envisioned geothermal borehole applications.

  5. Results for aliovalent doping of CeBr{sub 3} with Ca{sup 2+}

    SciTech Connect

    Guss, Paul; Foster, Michael E.; Wong, Bryan M.; Patrick Doty, F.; Shah, Kanai; Squillante, Michael R.; Shirwadkar, Urmila; Hawrami, Rastgo; Tower, Joshua; Yuan, Ding

    2014-01-21

    Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr{sub 3}) and cerium-activated lanthanum tribromide, their commercial availability and application are limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. This investigation employed aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca{sup 2+}) was used as a dopant to strengthen CeBr{sub 3} without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca{sup 2+} dopant were grown, i.e., 1.9% of the CeBr{sub 3} molecules were replaced by CaBr{sub 2} molecules, to match our target replacement of 1 out of 54 cerium atoms be replaced by a calcium atom. Precisely the mixture was composed of 2.26 g of CaBr{sub 2} added to 222.14 g of CeBr{sub 3}. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca{sup 2+}-doped CeBr{sub 3} exhibited little or no change in the peak fluorescence emission for 371?nm optical excitation for CeBr{sub 3}. The structural, electronic, and optical properties of CeBr{sub 3} crystals were studied using the density functional theory within the generalized gradient approximation. Calculated lattice parameters are in agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr{sub 3}, including the dielectric function, were calculated.

  6. Characterization of the LiSi/CsBr-LiBr-KBr/FeS(2) System for Potential Use as a Geothermal Borehole Power Source

    SciTech Connect

    GUIDOTTI, RONALD A.; REINHARDT, FREDERICK W.

    1999-10-18

    We are continuing to study the suitability of modified thermal-battery technology as a potential power source for geothermal borehole applications. Previous work focused on the LiSi/FeS{sub 2} couple over a temperature range of 350 C to 400 C with the LiBr-KBr-LiF eutectic, which melts at 324.5 C. In this work, the discharge processes that take place in LiSi/CsBr-LiBr-KBr eutectic/FeS{sub 2} thermal cells were studied at temperatures between 250 C and 400 C using pelletized cells with immobilized electrolyte. The CsBr-LiBr-KBr eutectic was selected because of its lower melting point (228.5 C). Incorporation of a quasi-reference electrode allowed the determination of the relative contribution of each electrode to the overall cell polarization. The results of single-cell tests and limited battery tests are presented, along with preliminary data for battery stacks tested in a simulated geothermal borehole environment.

  7. Studies on Ca2+-Doped CeBr3 Scintillating Materials

    SciTech Connect

    Guss, P. [NSTec; Foster, M. E. [SNL; Wong, B. M. [SNL; Doty, F. P. [SNL; Shah, K. [RMD; Squillante, M. [RMD; Glodo, J. [RMD; Yuan, D. [NSTec

    2013-07-03

    Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr3) and cerium-activated lanthanum tribromide (LaBr3:Ce), their commercial availability and application is limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. The objective of this investigation was to employ aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca2+) was investigated as a dopant to strengthen CeBr3 without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca2+ dopant were grown. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca2+-doped CeBr3 exhibited little or no change in the peak fluorescence emission for 371 nm optical excitation for CeBr3. The structural, electronic, and optical properties of CeBr3 crystals were investigated using the density functional theory within generalized gradient approximation. The calculated lattice parameters are in good agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr3, including the dielectric function, were calculated.

  8. Structure and properties of electronic and hole centers in CsBr from theoretical calculations

    SciTech Connect

    Halliday, Matthew T.; Hess, Wayne P.; Shluger, Alexander L.

    2015-06-24

    The electronic structure, geometry, diffusion barriers and optical properties of fundamental defects of CsBr are calculated using hybrid functional DFT and TD- DFT methods. The B3LYP functional with a modified exchange contribution has been used in an embedded cluster scheme to model the structure and spectroscopic properties of self-trapped triplet exciton, interstitial Br atoms and ions, self-trapped holes and Br vacancies. The calculated migration barriers and positions of maxima of optical absorption bands are in good agreement with experiment, justifying the obtained defect geometries. The o*-center triplet exciton luminescence energy is also accurately calculated.

  9. Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption for CHP

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Applications, April 2005 | Department of Energy Developing Air-Cooled Lithium Bromide (LiBr) Absorption for CHP Applications, April 2005 Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption for CHP Applications, April 2005 The objective of this paper is to summarize the development status of air-cooled lithium bromide (LiBr)-water absorption chillers to guide future efforts to develop chillers for combined heat and power (CHP) applications in light-commercial buildings. The key

  10. Measurement of the Ratio of Branching Fractions Br(Bs -> Ds- pi+)/Br(B -> D- pi+) at CDF-II

    SciTech Connect

    Furic, Ivan Kresimir; /MIT

    2004-03-01

    The measurement of B{sub s}{sup 0} mixing is one of the flagship analyses for the Run II B physics program. The sensitivity of the measurement to the frequency of B{sub s}{sup 0} oscillations strongly depends on the number of reconstructed B{sub s}{sup 0} mesons. They present the measurement of the ratio of branching fractions Br(B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +})/Br(B{sup 0} {yields} D{sup -}{pi}{sup +}), which directly influences the number of B{sub s}{sup 0} events available for the measurement of B{sub s}{sup 0} mixing at CDF-II. They analyze 115 pb{sup -1} of data collected with the CDF-II detector in p{bar p} collisions at {radical}s = 1.96 TeV using a novel displaced track trigger. They reconstruct 78 {+-} 11 B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +} decays at 1153 {+-} 45 B{sup 0} {yields} D{sup -}{pi}{sup +} decays with good signal to background ratio. This is the world's largest sample of fully reconstructed B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +} decays. They find the ratio of production fractions multiplied by the ratio of branching fractions to be: f{sub s}/f{sub d} {center_dot} Br(B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +})/Br(B{sup 0} {yields} D{sup -}{pi}{sup +}) = 0.325 {+-} 0.046(stat) {+-} 0.034(syst) {+-} 0.084 (BR). Using the world average value of f{sub s}/f{sub d} = 0.26 {+-} 0.03, we infer that the ratio of branching fractions is: Br(B{sub s}{sup 0} {yields} D{sub s}{sup -}{pi}{sup +})/Br(B{sup 0} {yields} D{sup -}{pi}{sup +}) = 1.25 {+-} 0.18(stat) {+-} 0.13(syst) {+-} 0.32(BR) {+-} 0.14(PR) where the last uncertainty is due to the uncertainty on the world average measurement of the ratio of B{sub s}{sup 0} to B{sup 0} production rates, f{sub s}/f{sub d}.

  11. Oxidation/Reduction Reactions at the Metal Contact-TlBr Interface...

    Office of Scientific and Technical Information (OSTI)

    Title: OxidationReduction Reactions at the Metal Contact-TlBr Interface: An X-ray Photoelectron Spectroscopy Study Authors: Nelson, A J ; Swanberg, E L ; Voss, L F ; Graff, R T ; ...

  12. Hydrogen for X-group exchange in CH3X, X = Cl, Br, I, OMe and...

    Office of Scientific and Technical Information (OSTI)

    Hydrogen for X-group exchange in CH3X, X Cl, Br, I, OMe and NMe2 byMonomeric ... Citation Details In-Document Search Title: Hydrogen for X-group exchange in CH3X, X Cl, ...

  13. Measurement of BR(Bu to phi K)/BR(Bu to J/psi K) at the collider detector at Fermilab

    SciTech Connect

    Napora, Robert A

    2004-10-01

    This thesis presents evidence for the decay mode B{sup {+-}} {yields} {phi}K{sup {+-}} in p{bar p} collisions at {radical}s = 1.96 TeV using (120 {+-} 7)pb{sup -1} of data collected by the Collider Detector at Fermilab (CDF). This signal is then used to measure the branching ratio relative to the decay mode B{sup {+-}} {yields} J/{psi}K{sup {+-}}. The measurement starts from reconstructing the two decay modes: B{sup {+-}} {yields} {phi}K{sup {+-}}, where {phi} {yields} K{sup +}K{sup -} and B{sup {+-}} {yields} J/{psi}K{sup {+-}}, where J/{psi} {yields} {mu}{sup +}{mu}{sup -}. The measurement yielded 23 {+-} 7 B{sup {+-}} {yields} {phi}K{sup {+-}} events, and 406 {+-} 26 B{sup {+-}} {yields} J/{psi}K{sup {+-}} events. The fraction of B{sup {+-}} {yields} J/{psi}K{sup {+-}} events where the J/{psi} subsequently decayed to two muons (as opposed to two electrons) was found to be f{sub {mu}{mu}} = 0.839 {+-} 0.066. The relative branching ratio of the two decays is then calculated based on the equation: BR(B{sup {+-}} {yields} {phi}K{sup {+-}})/BR(B{sup {+-}} {yields} J/{psi}K{sup {+-}}) = N{sub {phi}K}/N{sub {psi}K} {center_dot}f{sub {mu}{mu}} BR(J/{psi} {yields} {mu}{sup +}{mu}{sup -})/BR({phi} {yields} K{sup +}K{sup -}) {epsilon}{sub {mu}{mu}}K/{epsilon}KKK R({epsilon}{sub iso}). The measurement finds BR(B{sup {+-}} {yields} {phi}K{sup {+-}})/BR(B{sup {+-}} {yields} J/{psi}K{sup {+-}}) = 0.0068 {+-} 0.0021(stat.) {+-} 0.0007(syst.). The B{sup {+-}} {yields} {phi}K{sup {+-}} branching ratio is then found to be BR(B{sup {+-}} {yields} {phi}K{sup {+-}}) = [6.9 {+-} 2.1(stat.) {+-} 0.8(syst.)] x 10{sup -6}. This value is consistent with similar measurements reported by the e{sup +}e{sup -} collider experiments BaBar[1], Belle[2], and CLEO[3].

  14. Very fast doped LaBr.sub.3 scintillators and time-of-flight PET

    DOEpatents

    Shah, Kanai S.

    2006-10-31

    The present invention concerns very fast scintillator materials capable of resolving the position of an annihilation event within a portion of a human body cross-section. In one embodiment, the scintillator material comprises LaBr.sub.3 doped with cerium. Particular attention is drawn to LaBr.sub.3 doped with a quantity of Ce that is chosen for improving the timing properties, in particular the rise time and resultant timing resolution of the scintillator, and locational capabilities of the scintillator.

  15. CALiPER Application Summary Report 16. LED BR30 and R30 Lamps

    SciTech Connect

    none,

    2012-07-01

    This report analyzes the independently tested performance of 13 LED products labeled as BR30 or R30 lamps. The test results indicate substantial improvement versus earlier CALiPER testing of similar products, and performance comparable to recent data from LED Lighting Facts and ENERGY STAR.

  16. ALD Produced B{sub 2}O{sub 3}, Al{sub 2}O{sub 3} and TiO{sub 2} Coatings on Gd{sub 2}O{sub 3} Burnable Poison Nanoparticles and Carbonaceous TRISO Coating Layers

    SciTech Connect

    Weimer, Alan

    2012-11-26

    This project will demonstrate the feasibility of using atomic layer deposition (ALD) to apply ultrathin neutron-absorbing, corrosion-resistant layers consisting of ceramics, metals, or combinations thereof, on particles for enhanced nuclear fuel pellets. Current pellet coating technology utilizes chemical vapor deposition (CVD) in a fluidized bed reactor to deposit thick, porous layers of C (or PyC) and SiC. These graphitic/carbide materials degrade over time owing to fission product bombardment, active oxidation, thermal management issues, and long-term irradiation effects. ALD can be used to deposit potential ceramic barrier materials of interest, including ZrO{sub 2}, Y{sub 2}O{sub 3}:ZrO{sub 2} (YSZ), Al{sub 2}O{sub 3}, and TiO{sub 2}, or neutron-absorbing materials, namely B (in BN or B{sub 2}O{sub 3}) and Gd (in Gd{sub 2}O{sub 3}). This project consists of a two-pronged approach to integrate ALD into the next-generation nuclear plant (NGNP) fuel pellet manufacturing process:

  17. Geothermal br Resource br Area Geothermal br Resource br Area...

    OpenEI (Open Energy Information) [EERE & EIA]

    Aluto Langano Geothermal Area Aluto Langano Geothermal Area East African Rift System Ethiopian Rift Valley Major Normal Fault Basalt MW K Amatitlan Geothermal Area Amatitlan...

  18. AmeriFlux BR-Sa1 Santarem-Km67-Primary Forest

    SciTech Connect

    Saleska, Scott

    2016-01-01

    This is the AmeriFlux version of the carbon flux data for the site BR-Sa1 Santarem-Km67-Primary Forest. Site Description - The LBA Tapajos KM67 Mature Forest site is located in the Tapajos National Forest, a 450,000 ha closed-canopy upland forest in Amazonian Brazil. Bounded by the Tapajos River in the west and highway BR-163 to the east, the tower is located on a flat plateau (or planalto) that extends up to 150 km to the north, south, and east. Within the confines of the National Forest, anthropogenic disturbances are limited to a few small hunting trails. The surrounding stand is classified as primary or "old-growth"" predominantly by its uneven age distribution, emergent trees, numerous epiphytes and abundant large logs. In 2007 falling trees hit the tower guy wires rendering all instrumentation in-operational. After a complete restoration tower measurements resumed in August of 2008.

  19. Spectroscopic Evidence for a High-Spin Br-Fe(IV)-Oxo Intermediate in the

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    alpha-Ketoglutarate-Dependent Halogenase CytC3 from Streptomyces Working title - Spectroscopic Evidence for a High-Spin Br-Fe(IV)-Oxo Intermediate in the alpha-Ketoglutarate-Dependent Halogenase CytC3 from Streptomyces There are over 4,500 known halogenated natural products. The presence of a halogen in the molecular framework tunes a compound's chemical reactivity or biological activity in these natural fungicides and antibiotics. Four classes of enzymes are now known to catalyze

  20. Investigation into Nanostructured Lanthanum Halides and CeBr{sub 3} for Nuclear Radiation Detection

    SciTech Connect

    Guss, P., Guise, R., Mukhopadhyay, S., Yuan, D.

    2011-06-22

    This slide-show presents work on radiation detection with nanostructured lanthanum halides and CeBr{sub 3}. The goal is to extend the gamma energy response on both low and high-energy regimes by demonstrating the ability to detect low-energy x-rays and relatively high-energy activation prompt gamma rays simultaneously using the nano-structured lanthanum bromide, lanthanum fluoride, cerium bromide, or other nanocrystal material. Homogeneous and nano structure cases are compared.

  1. Laser cooling of MgCl and MgBr in theoretical approach

    SciTech Connect

    Wan, Mingjie; Shao, Juxiang; Huang, Duohui; Yang, Junsheng; Cao, Qilong; Jin, Chengguo; Wang, Fanhou; Gao, Yufeng

    2015-07-14

    Ab initio calculations for three low-lying electronic states (X{sup 2}Σ{sup +}, A{sup 2}Π, and 2{sup 2}Π) of MgCl and MgBr molecules, including spin-orbit coupling, are performed using multi-reference configuration interaction plus Davidson correction method. The calculations involve all-electronic basis sets and Douglas–Kroll scalar relativistic correction. Spectroscopic parameters well agree with available theoretical and experimental data. Highly diagonally distributed Franck-Condon factors f{sub 00} for A{sup 2}Π{sub 3/2,1/2} (υ′ = 0) → X{sup 2}Σ{sup +}{sub 1/2} (υ″ = 0) are determined for both MgCl and MgBr molecules. Suitable radiative lifetimes τ of A{sup 2}Π{sub 3/2,1/2} (υ′ = 0) states for rapid laser cooling are also obtained. The proposed laser drives A{sup 2}Π{sub 3/2} (υ′ = 0) → X{sup 2}Σ{sup +}{sub 1/2} (υ″ = 0) transition by using three wavelengths (main pump laser λ{sub 00}; two repumping lasers λ{sub 10} and λ{sub 21}). These results indicate the probability of laser cooling MgCl and MgBr molecules.

  2. Closed-cage (fullerene-like) structures of NiBr{sub 2}

    SciTech Connect

    Bar-Sadan, M.; Popovitz-Biro, R.; Prior, Yehiam; Tenne, R. . E-mail: reshef.tenne@weizmann.ac.il

    2006-11-09

    It is well accepted by now that nanoparticles of inorganic layered compounds form closed-cage structures (IF). In particular closed-cage nanoparticles of metal dihalides, like NiCl{sub 2}, CdCl{sub 2} and CdI{sub 2} were shown to produce such structures in the past. In the present report IF-NiBr{sub 2} polyhedra and quasi-spherical structures were obtained by the evaporation/recrystallization technique as well as by laser ablation. When the nanoclusters were formed in humid atmosphere, nickel perbromate hydrate [Ni(BrO{sub 4}){sub 2}(H{sub 2}O){sub 6}] polyhedra and short tubules were produced, as a result of a reaction with water. Nanooctahedra of NiBr{sub 2} were found occasionally in the irradiated soot. The reoccurrence of this structure in the IF family suggests that it is a generic one. Consistent with previous observations, this study showed that formation of the IF materials stabilized the material under the electron-beam irradiation. The growth mechanism of these nanostructures is briefly discussed.

  3. A modified Stillinger-Weber potential for TlBr and its polymorphic extension

    SciTech Connect

    Zhou, Xiaowang; Foster, Michael E.; Jones, Reese E.; Doty, F. Patrick; Yang, Pin; Fan, Hongyou

    2015-04-30

    TlBr is promising for g- and x- radiation detection, but suffers from rapid performance degradation under the operating external electric fields. To enable molecular dynamics (MD) studies of this degradation, we have developed a Stillinger-Weber type of TlBr interatomic potential. During this process, we have also addressed two problems of wider interests. First, the conventional Stillinger-Weber potential format is only applicable for tetrahedral structures (e.g., diamond-cubic, zinc-blende, or wurtzite). Here we have modified the analytical functions of the Stillinger-Weber potential so that it can now be used for other crystal structures. Second, past modifications of interatomic potentials cannot always be applied by a broad community because any new analytical functions of the potential would require corresponding changes in the molecular dynamics codes. Here we have developed a polymorphic potential model that simultaneously incorporates Stillinger-Weber, Tersoff, embedded-atom method, and any variations (i.e., modified functions) of these potentials. As a result, we have implemented this polymorphic model in MD code LAMMPS, and demonstrated that our TlBr potential enables stable MD simulations under external electric fields.

  4. Optimization of electrode characteristics for the Br-2/H-2 redox flow cell

    SciTech Connect

    Tucker, MC; Cho, KT; Weber, AZ; Lin, GY; Nguyen, TV

    2014-10-17

    The Br-2/H-2 redox flow cell shows promise as a high-power, low-cost energy storage device. The effect of various aspects of material selection, processing, and assembly of electrodes on the operation, performance, and efficiency of the system is determined. In particular, (+) electrode thickness, cell compression, hydrogen pressure, and (-) electrode architecture are investigated. Increasing hydrogen pressure and depositing the (-) catalyst layer on the membrane instead of on the carbon paper backing layers have a large positive impact on performance, enabling a limiting current density above 2 A cm(-2) and a peak power density of 1.4 W cm(-2). Maximum energy efficiency of 79 % is achieved. In addition, the root cause of limiting-current behavior in this system is elucidated, where it is found that Br- reversibly adsorbs at the Pt (-) electrode for potentials exceeding a critical value, and the extent of Br- coverage is potential-dependent. This phenomenon limits maximum cell current density and must be addressed in system modeling and design. These findings are expected to lower system cost and enable higher efficiency.

  5. A modified Stillinger-Weber potential for TlBr and its polymorphic extension

    DOE PAGES [OSTI]

    Zhou, Xiaowang; Foster, Michael E.; Jones, Reese E.; Doty, F. Patrick; Yang, Pin; Fan, Hongyou

    2015-04-30

    TlBr is promising for g- and x- radiation detection, but suffers from rapid performance degradation under the operating external electric fields. To enable molecular dynamics (MD) studies of this degradation, we have developed a Stillinger-Weber type of TlBr interatomic potential. During this process, we have also addressed two problems of wider interests. First, the conventional Stillinger-Weber potential format is only applicable for tetrahedral structures (e.g., diamond-cubic, zinc-blende, or wurtzite). Here we have modified the analytical functions of the Stillinger-Weber potential so that it can now be used for other crystal structures. Second, past modifications of interatomic potentials cannot always bemore » applied by a broad community because any new analytical functions of the potential would require corresponding changes in the molecular dynamics codes. Here we have developed a polymorphic potential model that simultaneously incorporates Stillinger-Weber, Tersoff, embedded-atom method, and any variations (i.e., modified functions) of these potentials. As a result, we have implemented this polymorphic model in MD code LAMMPS, and demonstrated that our TlBr potential enables stable MD simulations under external electric fields.« less

  6. Optimization of electrode characteristics for the Br?/H? redox flow cell

    SciTech Connect

    Tucker, Michael C.; Cho, Kyu Taek; Weber, Adam Z.; Lin, Guangyu; Van Nguyen, Trung

    2015-01-01

    The Br?/H? redox flow cell shows promise as a high-power, low-cost energy storage device. The effect of various aspects of material selection, processing, and assembly of electrodes on the operation, performance, and efficiency of the system is determined. In particular, (+) electrode thickness, cell compression, hydrogen pressure, and () electrode architecture are investigated. Increasing hydrogen pressure and depositing the () catalyst layer on the membrane instead of on the carbon-paper backing layers have a large positive impact on performance, enabling a limiting current density above 2 A cm-2 and a peak power density of 1.4 W cm-2. Maximum energy efficiency of 79% is achieved. In addition, the root cause of limiting-current behavior in this system is elucidated, where it is found that Br- reversibly adsorbs at the Pt () electrode for potentials exceeding a critical value, and the extent of Br- coverage is potential-dependent. This phenomenon limits maximum cell current density and must be addressed in system modeling and design. These findings are expected to lower system cost and enable higher efficiency.

  7. Re-evaluation of the eutectic region of the LiBr-KBr-LiF system

    SciTech Connect

    Redey, L.; Guidotti, R.A.

    1996-05-01

    The separator pellet in a thermal battery consists of electrolyte immobilized by a binder (typically, MgO powder). The melting point of the electrolyte determines the effective operating window for its use in a thermal battery. The development of a two-hour thermal battery required the use of a molten salt that had a lower melting point and larger liquidus range than the LiCl-KCl eutectic which melts at 352 C. Several candidate eutectic electrolyte systems were evaluated for their suitability for this application. One was the LiCl-LiBr-KBr eutectic used at Argonne National Laboratories for high-temperature rechargeable batteries for electric-vehicle applications. Using a custom-designed high-temperature conductivity cell, the authors were able to readily determine the liquidus region for the various compositions studied around the original eutectic for the LiBr-KBr-LiF system. The actual eutectic composition was found to be 60.0 m/o LiBr-37.5 m/o KBr-2.5 m/o LiF with a melting point of 324 {+-} 0.5 C.

  8. Response of LaBr{sub 3}(Ce) scintillators to 2.5 MeV fusion neutrons

    SciTech Connect

    Cazzaniga, C.; Nocente, M.; Gorini, G.; Istituto di Fisica del Plasma, Associazione EURATOM-ENEA-CNR, Via Roberto Cozzi 53, Milano 20125 ; Tardocchi, M.; Croci, G.; Giacomelli, L.; Angelone, M.; Pillon, M.; Villari, S.; Weller, A.; Petrizzi, L.; Collaboration: ASDEX Upgrade Team; JET-EFDA Contributors

    2013-12-15

    Measurements of the response of LaBr{sub 3}(Ce) to 2.5 MeV neutrons have been carried out at the Frascati Neutron Generator and at tokamak facilities with deuterium plasmas. The observed spectrum has been interpreted by means of a Monte Carlo model. It is found that the main contributor to the measured response is neutron inelastic scattering on {sup 79}Br, {sup 81}Br, and {sup 139}La. An extrapolation of the count rate response to 14 MeV neutrons from deuterium-tritium plasmas is also presented. The results are of relevance for the design of ?-ray diagnostics of fusion burning plasmas.

  9. Characterization of low-melting electrolytes for potential geothermal borehole power supplies: The LiBr-KBr-LiF eutectic

    SciTech Connect

    Guidotti, R.A.; Reinhardt, F.W.

    1998-05-01

    The suitability of modified thermal-battery technology for use as a potential power source for geothermal borehole applications is under investigation. As a first step, the discharge processes that take place in LiSi/LiBr-KBr-LiF/FeS{sub 2} thermal cells were studied at temperatures of 350 C and 400 C using pelletized cells with immobilized electrolyte. Incorporation of a reference electrode allowed the relative contribution of each electrode to the overall cell polarization to be determined. The results of single-cell tests are presented, along with preliminary data for cells based on a lower-melting CsBr-LiBr-KBr eutectic salt.

  10. Measurement of ratio R = (BR(D{sup 0}{yields}K{pi}{pi}{pi})/BR(D{sup 0}{yields}K{pi})) in {pi}{sup -}-Nucleus interactions at 500 GeV/c

    SciTech Connect

    Solano Salinas, C. J.; Paucarchuco, C.; Fernandez, A.; Sheaff, M.

    2007-10-26

    We report a very preliminary result on the measurement of the ratio of branching ratios, for two decays D{sup 0} meson, R = (BR(D{sup 0}{yields}K{pi}{pi}{pi})/BR(D{sup 0}{yields}K{pi})), using data from the E791 experiment. We find R = 1.96{+-}0.0286 (stat){+-}0.06 (sys). This is in agreement with and of similar precision to the current PDG average value 1.97{+-}0.09.

  11. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite

    Office of Scientific and Technical Information (OSTI)

    Single Crystal (Journal Article) | DOE PAGES Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal Title: Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows sufficient characteristics, the surface

  12. Crystal structure, electronic structure, temperature-dependent optical and scintillation properties of CsCe2Br7

    DOE PAGES [OSTI]

    Wu, Yuntao; Shi, Hongliang; Chakoumakos, Bryan C.; Zhuravleva, Mariya; Du, Mao-Hua; Melcher, Charles L.

    2015-10-05

    CsCe2Br7 is a self-activated inorganic scintillator that shows promising performance, but the understanding of the important structure-property relationships is lacking. In this work, we conduct a comprehensive study on CCsCe2Br7. The crystal structure of CsCe2Br7 is refined using single crystal X-ray study for the first time. It crystallizes into the orthorhombic crystal system with Pmnb space group. Its electronic structure is revealed by Density Functional Theory (DFT) calculations. Two cerium emission centers are identified and the energy barriers related to the thermal quenching to 4f ground states of Ce3+ for these two Ce centers are evaluated. CsCe2Br7 single crystal hasmore » better light yield and energy resolution than CsCe2Cl7, but with an additional slow decay component of 1.7 s. The existence of a deep trap with a depth of 0.9 eV in CsCe2Cl7 contributes to its higher afterglow level in comparison to that of CsCe2Br7. The most possible point defects in CsCe2Cl7 and CsCe2Br7 are proposed by considering the vapour pressure in the growth atmosphere upon melting point.« less

  13. AmeriFlux US-Br3 Brooks Field Site 11- Ames

    SciTech Connect

    Parkin, Tim; Prueger, John

    2016-01-01

    This is the AmeriFlux version of the carbon flux data for the site US-Br3 Brooks Field Site 11- Ames. Site Description - The Brooks Field Site 11 - Ames Site is one of three sites (Brooks Field Site 10 and Brooks Field Site 1011) located in a corn/soybean agricultural landscape of central Iowa. The farming systems, associated tillage, and nutrient management practices for soybean/corn production are typical of those throughout Upper Midwest Corn Belt. All three sites are members of the AmeriFlux network. Information for all three can be found in synchronous pages of this website.

  14. AmeriFlux US-Br1 Brooks Field Site 10- Ames

    DOE Data Explorer

    Parkin, Tim [USDA; Prueger, John [National Laboratory for Agriculture and the Environment

    2016-01-01

    This is the AmeriFlux version of the carbon flux data for the site US-Br1 Brooks Field Site 10- Ames. Site Description - The Brooks Field Site 10 - Ames Site is one of three sites (Brooks Field Site 11 and Brooks Field Site 1011) located in a corn/soybean agricultural landscape of central Iowa. The farming systems, associated tillage, and nutrient management practices for soybean/corn production are typical of those throughout Upper Midwest Corn Belt. All three sites are members of the AmeriFlux network. Information for all three can be found in synchronous pages of this website.

  15. Br-rich Tips of Calcified Crab Claws are Less Hard but More Fracture

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Resistant: A Comparison of Mineralized and Heavy-element Biological Materials Br-rich Tips of Calcified Crab Claws are Less Hard but More Fracture Resistant: A Comparison of Mineralized and Heavy-element Biological Materials figure 1 Figure 1. The heavy element biomaterial is the darker material at the tip of the shore crab claws. Figure "b" shows the same claw as "a" but after bead blasting. The claw tips are less eroded by the bead blasting than surrounding calcified

  16. Fuel loading of PeBR for a long operation life on the lunar surface

    SciTech Connect

    Schriener, T. M.; El-Genk, M. S.

    2012-07-01

    The Pellet Bed Reactor (PeBR) power system could provide 99.3 kW e to a lunar outpost for 66 full power years and is designed for no single point failures. The core of this fast energy spectrum reactor consists of three sectors that are neutronically and thermally coupled, but hydraulically independent. Each sector has a separate Closed Brayton Cycle (CBC) loop for energy conversion and separate water heat-pipes radiator panels for heat rejection. He-Xe (40 g/mole) binary gas mixture serves as the reactor coolant and CBC working fluid. On the lunar surface, the emplaced PeBR below grade is loaded with spherical fuel pellets (1-cm in dia.). It is launched unfueled and the pellets are launched in separate subcritical canisters, one for each core sector. This paper numerically simulates the transient loading of a core sector with fuel pellets on the Moon. The simulation accounts for the dynamic interaction of the pellets during loading and calculates the axial and radial distributions of the volume porosity in the sector. The pellets pack randomly with a volume porosity of 0.39 - 0.41 throughout most of the sector, except near the walls the local porosity is higher. (authors)

  17. Thermal properties for the thermal-hydraulics analyses of the BR2 maximum nominal heat flux.

    SciTech Connect

    Dionne, B.; Kim, Y. S.; Hofman, G. L.

    2011-05-23

    This memo describes the assumptions and references used in determining the thermal properties for the various materials used in the BR2 HEU (93% enriched in {sup 235}U) to LEU (19.75% enriched in {sup 235}U) conversion feasibility analysis. More specifically, this memo focuses on the materials contained within the pressure vessel (PV), i.e., the materials that are most relevant to the study of impact of the change of fuel from HEU to LEU. This section is regrouping all of the thermal property tables. Section 2 provides a summary of the thermal properties in form of tables while the following sections present the justification of these values. Section 3 presents a brief background on the approach used to evaluate the thermal properties of the dispersion fuel meat and specific heat capacity. Sections 4 to 7 discuss the material properties for the following materials: (i) aluminum, (ii) dispersion fuel meat (UAlx-Al and U-7Mo-Al), (iii) beryllium, and (iv) stainless steel. Section 8 discusses the impact of irradiation on material properties. Section 9 summarizes the material properties for typical operating temperatures. Appendix A elaborates on how to calculate dispersed phase's volume fraction. Appendix B shows the evolution of the BR2 maximum heat flux with burnup.

  18. High temperature crystal structures and superionic properties of SrCl{sub 2}, SrBr{sub 2}, BaCl{sub 2} and BaBr{sub 2}

    SciTech Connect

    Hull, Stephen; Norberg, Stefan T.; Ahmed, Istaq; Eriksson, Sten G.; Mohn, Chris E.

    2011-11-15

    The structural properties of the binary alkaline-earth halides SrCl{sub 2}, SrBr{sub 2}, BaCl{sub 2} and BaBr{sub 2} have been investigated from ambient temperature up to close to their melting points, using the neutron powder diffraction technique. Fluorite-structured SrCl{sub 2} undergoes a gradual transition to a superionic phase at 900-1100 K, characterised by an increasing concentration of anion Frenkel defects. At a temperature of 920(3) K, the tetragonal phase of SrBr{sub 2} undergoes a first-order transition to a cubic fluorite phase. This high temperature phase shows the presence of extensive disorder within the anion sublattice, which differs from that found in superionic SrCl{sub 2}. BaCl{sub 2} and BaBr{sub 2} both adopt the cotunnite crystal structure under ambient conditions. BaCl{sub 2} undergoes a first-order structural transition at 917(5) K to a disordered fluorite-structured phase. The relationship between the (disordered) crystal structures and the ionic conductivity behaviour is discussed and the influence of the size of the mobile anion on the superionic behaviour is explored. - Graphical abstract: Anomalous behaviour of the lattice expansion of SrCl{sub 2} at temperatures of {approx}1000 K is associated with the gradual transition to a superionic phase, whilst SrBr{sub 2} undergoes a first-order structural transition ({beta}{yields}{alpha}) to a fluorite-structured superionic phase at 920(3) K. Highlights: > Anomalous behaviour of the lattice expansion of SrCl{sub 2} occurs at temperatures {approx}1000 K. > Crystal structure of {beta}-SrBr{sub 2} is described in detail. > On heating, SrBr{sub 2} and BaCl{sub 2} transform to a fluorite-structured superionic phase. > Temperature dependence of the BaCl{sub 2} and BaBr{sub 2} structures is presented. > Nature of the superionic phases within the alkaline-earth halides is discussed.

  19. Infrared fluorescence studies of electronic-to-vibrational energy transfer in a Br2:NO system. Master's thesis

    SciTech Connect

    Hawks, M.R.

    1993-12-01

    Steady-state photolysis techniques were used to study electronic-to-vibrational energy transfer mechanisms from atomic bromine to nitric oxide. Molecular bromine was photodissociated by 488nm radiation to produce equal parts Br(2p(sub 1/2)) and Br(2p (sub 3/2)). Side fluorescence intensity from Br(2p (sub 1/2)) at 2.7 microns and from NO (v =1) and 2 around 5.3 microns measured as a function of bromine pressure and nitric oxide pressure. The branching ratio collisional transfer into the first and second states of NO was determined, and previously reported rates for quenching of NO by molecular bromine were verified. Nitric oxide, Bromine, E-V transfer, Infrared fluorescence, Photolysis.

  20. LiCl Dehumidifier LiBr absorption chiller hybrid air conditioning system with energy recovery

    DOEpatents

    Ko, Suk M.

    1980-01-01

    This invention relates to a hybrid air conditioning system that combines a solar powered LiCl dehumidifier with a LiBr absorption chiller. The desiccant dehumidifier removes the latent load by absorbing moisture from the air, and the sensible load is removed by the absorption chiller. The desiccant dehumidifier is coupled to a regenerator and the desiccant in the regenerator is heated by solar heated hot water to drive the moisture therefrom before being fed back to the dehumidifier. The heat of vaporization expended in the desiccant regenerator is recovered and used to partially preheat the driving fluid of the absorption chiller, thus substantially improving the overall COP of the hybrid system.

  1. X-ray-absorption study of CuBr at high pressure

    SciTech Connect

    Tranquada, J.M.; Ingalls, R.

    1986-09-15

    The x-ray-absorption spectrum of cuprous bromide has been measured as a function of pressure. The x-ray-absorption near-edge structure proved to be an excellent indicator of high-pressure phase transitions in this material. The normalized ''white-line'' peak heights at both the Cu and Br K-italic edges decreased on entering the tetragonal phase and increased in going to the NaCl structure. The zinc-blende to tetragonal phase transition took place over a very narrow pressure range centered at 46 +- 5 kbar. The transformation from the tetragonal to the NaCl structure, on the other hand, showed a broad mixed-phase region, suggesting a nucleation-and-growth mechanism for the transition. The mixed-phase region was centered at 75 +- 6 kbar. No evidence of a phase between the zinc-blende and tetragonal phases was observed, presumably because it does not exist. Analysis of the extended x-ray-absorption fine-structure (EXAFS) clearly showed that there is no change in coordination in going from the zinc-blende to the tetragonal phase although the nearest-neighbor distance increases slightly. A much larger increase in R-italic/sub 1/ occurs at the transition to the NaCl structure, where the coordination increases from 4 to 6. The mean-square deviation in the nearest-neighbor bond length, sigma/sub 1//sup 2/, appears to be a fairly smooth function of nearest-neighbor distance, decreasing (or increasing) as R-italic/sub 1/ decreases (or increases) more or less independent of structure. Evidence from the literature was presented to suggest that the zinc-blende to tetragonal transition in CuBr (and also CuCl) should occur by shear deformation.

  2. Molecular Characterization of Brown Carbon (BrC) Chromophores in Secondary Organic Aerosol Generated From Photo-Oxidation of Toluene

    SciTech Connect

    Lin, Peng; Liu, Jiumeng; Shilling, John E.; Kathmann, Shawn M.; Laskin, Julia; Laskin, Alexander

    2015-09-28

    Atmospheric Brown carbon (BrC) is a significant contributor to light absorption and climate forcing. However, little is known about a fundamental relationship between the chemical composition of BrC and its optical properties. In this work, light-absorbing secondary organic aerosol (SOA) was generated in the PNNL chamber from toluene photo-oxidation in the presence of NOx (Tol-SOA). Molecular structures of BrC components were examined using nanospray desorption electrospray ionization (nano-DESI) and liquid chromatography (LC) combined with UV/Vis spectroscopy and electrospray ionization (ESI) high-resolution mass spectrometry (HRMS). The chemical composition of BrC chromophores and the light absorption properties of toluene SOA (Tol-SOA) depend strongly on the initial NOx concentration. Specifically, Tol-SOA generated under high-NOx conditions (defined here as initial NOx/toluene of 5/1) appears yellow and mass absorption coefficient of the bulk sample (MACbulk@365nm = 0.78 m2 g-1) is nearly 80 fold higher than that measured for the Tol-SOA sample generated under low-NOx conditions (NOx/toluene < 1/300). Fifteen compounds, most of which are nitrophenols, are identified as major BrC chromophores responsible for the enhanced light absorption of Tol-SOA material produced in the presence of NOx. The integrated absorbance of these fifteen chromophores accounts for 40-60% of the total light absorbance by Tol-SOA at wavelengths between 300 nm and 500 nm. The combination of tandem LC-UV/Vis-ESI/HRMS measurements provides an analytical platform for predictive understanding of light absorption properties by BrC and their relationship to the structure of individual chromophores. General trends in the UV/vis absorption by plausible isomers of the BrC chromophores were evaluated using theoretical chemistry calculations. The molecular-level understanding of BrC chemistry is helpful for better understanding the evolution and behavior of light absorbing aerosols in the atmosphere.

  3. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite

    Office of Scientific and Technical Information (OSTI)

    Single Crystal (Journal Article) | SciTech Connect Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal Citation Details In-Document Search Title: Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows

  4. Synthesis, crystal structure, spectroscopic and thermal properties of [Et{sub 4}N][Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]Br{sub 4}.4H{sub 2}O (Et=ethyl)-A new compound with the paramagnetic [Ta{sub 6}Br{sub 12}]{sup 3+} cluster core

    SciTech Connect

    Peric, Berislav; Jozic, Drazan; Planinic, Pavica; Brnicevic, Nevenka; Giester, Gerald

    2009-09-15

    A new hexanuclear cluster compound, [Et{sub 4}N][Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]Br{sub 4}.4H{sub 2}O (Et=ethyl) (1), with the paramagnetic [Ta{sub 6}Br{sub 12}]{sup 3+} cluster entity, was synthesized and characterized by elemental and TG/DTA analyses, IR and UV/Vis spectroscopy and by a single-crystal X-ray diffraction study. The presence of the paramagnetic [Ta{sub 6}Br{sub 12}]{sup 3+} unit was confirmed also by the room-temperature magnetic and EPR measurements. The compound crystallizes in the tetragonal I4{sub 1}/a space group, with a=14.299(5), c=21.241(5) A, Z=4, R{sub 1}(F)/wR{sub 2}(F{sup 2})=0.0296/0.0811. The structure contains discrete [Ta{sub 6}Br{sub 12}(H{sub 2}O){sub 6}]{sup 3+} cations with an octahedron of metal atoms edge-bridged by bromine atoms and with water molecules occupying all six terminal positions. The cluster units are positioned in the vertices of the three-dimensional (pseudo)diamond lattice. The structure shows similarities with literature reported structures of cluster compounds crystallizing in the diamond (Fd3-barm) space group. - Graphical abstract: Two interpenetrating (pseudo)diamond nets formed by packing of the paramagnetic [Ta{sub 6}Br{sub 12}(H{sub 2}O)]{sup 3+} (octahedral) and diamagnetic [Et{sub 4}N]{sup +} (spheres) cations.

  5. Laser activity at 1.18 um, 1.07 um, and 0.97 umin the low phonon energy crystalline hosts KPb2Br5 and RbPb2Br5 doped with Nd3+

    SciTech Connect

    Rademaker, K; Heumann, E; Payne, S A; Huber, G; Krupke, W F; Isaenko, L I; Burger, A

    2004-09-15

    For the first time laser activity has been achieved in the low phonon energy, moisture-resistant bromide host crystals, neodymium-doped potassium lead bromide (Nd{sup 3+}:KPb{sub 2}Br{sub 5}) and rubidium lead bromide (Nd{sup 3+}:RbPb{sub 2}Br{sub 5}). Laser activity at 1.07 {micro}m was observed for both crystalline materials. Laser operation at the new wavelengths 1.18 {micro}m and 0.97 {micro}m resulting from the {sup 4}F{sub 5/2} + {sup 2}H{sub 9/2} {yields} {sup 4}I{sub J} transitions (J=13/2 and 11/2) in Nd:RPB was achieved for the first time in a solid state laser material. Rare earth- doped MPb{sub 2}Br{sub 5} (M=K, Rb) is a promising candidate for long wavelength infrared applications because of its low phonon frequencies and other favorable features. In principle, Nd{sup 3+}:MPb{sub 2}Br{sub 5} has high potential for laser operation at new wavelengths as well as for the realization of short-wavelength lasing due to upconversion processes.

  6. Ultrafast dynamics of strong-field dissociative ionization ofCH2Br2 probed by femtosecond soft x-ray transient absorptionspectroscopy

    SciTech Connect

    Loh, Zhi-Heng; Leone, Stephen R.

    2008-01-15

    Femtosecond time-resolved soft x-ray transient absorption spectroscopy based on a high-order harmonic generation source is used to investigate the dissociative ionization of CH{sub 2}Br{sub 2} induced by 800 nm strong-field irradiation. At moderate peak intensities (2.0 x 10{sup 14} W/cm{sup 2}), strong-field ionization is accompanied by ultrafast C-Br bond dissociation, producing both neutral Br ({sup 2}P{sub 3/2}) and Br* ({sup 2}P{sub 1/2}) atoms together with the CH{sub 2}Br{sup +} fragment ion. The measured rise times for Br and Br* are 130 {+-} 22 fs and 74 {+-} 10 fs, respectively. The atomic bromine quantum state distribution shows that the Br/Br* population ratio is 8.1 {+-} 3.8 and that the Br {sup 2}P{sub 3/2} state is not aligned. The observed product distribution and the timescales of the photofragment appearances suggest that multiple field-dressed potential energy surfaces are involved in the dissociative ionization process. In addition, the transient absorption spectrum of CH{sub 2}Br{sub 2}{sup +} suggests that the alignment of the molecule relative to the polarization axis of the strong-field ionizing pulse determines the electronic symmetry of the resulting ion; alignment of the Br-Br, H-H, and C{sub 2} axis of the molecule along the polarization axis results in the production of the ion {tilde X}({sup 2}B{sub 2}), {tilde B}({sup 2}B{sub 1}) and {tilde C}({sup 2}A{sub 1}) states, respectively. At higher peak intensities (6.2 x 10{sup 14} W/cm{sup 2}), CH{sub 2}Br{sub 2}{sup +} undergoes sequential ionization to form the metastable CH{sub 2}Br{sub 2}{sup 2+} dication. These results demonstrate the potential of core-level probing with high-order harmonic transient absorption spectroscopy for studying ultrafast molecular dynamics.

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

    SciTech Connect

    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.

  8. Evaluation of production samples of the scintillators LaBr3:Ce andLaCl3:Ce

    SciTech Connect

    Choong, Woon-Seng; Derenzo, Stephen E.; Moses, William W.

    2005-09-15

    We report on the evaluation of the performance of two recently developed scintillator materials, LaCl{sub 3}:Ce and LaBr{sub 3}:Ce, at the task of gamma ray spectroscopy. Their performance is compared to a standard scintillator used for gamma ray spectroscopy--a 25 mm diameter 25 mm tall cylinder of NaI:Tl. We measure the pulse height, energy resolution, and full-energy efficiency of production LaBr{sub 3}:Ce and LaCl{sub 3}:Ce scintillation crystals of different sizes and geometries for a variety of gamma-ray energies. Using production rather than specially selected crystals will establish whether immediate large-scale use is feasible. The crystal is excited by gamma rays from one of six isotopic sources ({sup 125}I, {sup 241}Am, {sup 57}Co, {sup 22}Na, {sup 137}Cs, and {sup 60}Co) placed 15 cm away from the scintillator. Our measurements show that both LaCl{sub 3} and LaBr{sub 3} outperform NaI:Tl in almost all cases. They outperform NaI:Tl at all energies for the photopeak fraction and counting rate measurements, and for energy resolution at higher energies (above 200 keV for LaCl{sub 3} and 75 keV for LaBr{sub 3}). The performance of production crystals is excellent and these scintillators should be considered for immediate use in systems where stopping power and energy resolution are crucial.

  9. Synthesis and structure of the [OsThio{sub 6}]Br{sub 3} . H{sub 2}O complex

    SciTech Connect

    Rudnitskaya, O. V. Kultyshkina, E. K.; Venskovskii, N. U.; Stash, A. I.

    2007-03-15

    A complex of the composition [OsThio{sub 6}]Br{sub 3} . H{sub 2}O is synthesized by the reaction of H{sub 2}OsBr{sub 6} with thiourea in a 0.5 M HBr solution. The [OsThio{sub 6}]Br{sub 3} . H{sub 2}O complex is characterized using electronic absorption and infrared spectroscopy. The structure of the complex is determined by X-ray diffraction analysis. The crystals are orthorhombic with the unit cell parameters a = 20.510(4) A, b = 11.186(2) A, c = 11.892(2) A, space group Pccn, and Z = 4. The thiourea molecules are coordinated to the osmium atom through the sulfur atom. The osmium atom has an octahedral coordination. The Os-S distances fall in the range 2.39-2.40 A. The outersphere H{sub 2}O molecules and Br{sup -} anions are involved in hydrogen bonds with the NH{sub 2} groups of the thiourea molecules.

  10. A XANES and EXAFS Study of Hydration and Ion Pairing in Ambient Aqueous MnBr[subscript 2] Solutions

    SciTech Connect

    Chen, Yongsheng; Fulton, John L.; Partenheimer, Walter

    2008-09-25

    Extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) spectroscopies were used to probe the first-shell coordination structure of Mn(II) in aqueous MnBr{sub 2} solutions at ambient conditions from very dilute to the near saturation limit. The Mn K-edge EXAFS spectra for 0.05 and 0.2 m solutions showed that there was no Br(-I) in the first shell, and that the Mn(II) was fully hydrated with six water molecules in an octahedral arrangement. In contrast, for 6 m solution, the coordination number of water was reduced to about 5, and an average of about one bromine atom was present in the first shell as a contact ion pair. The 1s {yields} 4p transition at 6545.5 eV confirmed the observation of Mn-Br contact ion pairs at high concentrations and the 1s {yields} 3d transition at 6539.5 eV showed that the first shell coordination symmetry remained octahedral even in the presence of Mn-Br ion pairs.

  11. Ag/AgBr/g-C{sub 3}N{sub 4}: A highly efficient and stable composite photocatalyst for degradation of organic contaminants under visible light

    SciTech Connect

    Cao, Jing; Zhao, Yijie; Lin, Haili; Xu, Benyan; Chen, Shifu

    2013-10-15

    Graphical abstract: Ag/AgBr/g-C{sub 3}N{sub 4} composite photocatalysts displayed excellent photocatalytic activities on the degradation of methyl orange (MO) under visible light. The improved photocatalytic performance and stability of Ag/AgBr/g-C{sub 3}N{sub 4} originated from the synergetic effects of AgBr/g-C{sub 3}N{sub 4} interface and metallic Ag nanoparticles. O{sub 2}?, one of the reactive species, was responsible for the photodegradation of MO compared to H+ and OH. - Highlights: Novel Ag/AgBr/g-C{sub 3}N{sub 4} composite photocatalyst was reported. Ag/AgBr/g-C{sub 3}N{sub 4} had novel energy band combination between AgBr and g-C{sub 3}N{sub 4}. Synergetic effects of AgBr/g-C{sub 3}N{sub 4} interface and metallic Ag nanoparticles. Electron trapping role of metallic Ag dominated the stability of Ag/AgBr/g-C{sub 3}N{sub 4}. - Abstract: Novel Ag/AgBr/g-C{sub 3}N{sub 4} composite photocatalysts were constructed via depositionprecipitation method and extensively characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM) and UVvis diffuse reflectance spectroscopy (DRS). Under visible light (? > 420 nm), Ag/AgBr/g-C{sub 3}N{sub 4} composite photocatalysts displayed much higher photocatalytic activities than those of Ag/AgBr and g-C{sub 3}N{sub 4} for degradation of methyl orange (MO). 50% Ag/AgBr/g-C{sub 3}N{sub 4} presented the best photocatalytic performance, which was mainly attributed to the synergistic effects of AgBr/g-C{sub 3}N{sub 4} interface and the in situ metallic Ag nanoparticles for efficiently separating electronhole pairs. Furthermore, Ag/AgBr/g-C{sub 3}N{sub 4} remained good photocatalytic activity through 5 times of cycle experiments. Additionally, the radical scavengers experiment indicated that O{sub 2}{sup ?} was the main reactive species for the MO degradation under visible light.

  12. Direct molecular diffusion and micro-mixing for rapid dewatering of LiBr solution

    SciTech Connect

    Bigham, S; Isfahani, RN; Moghaddam, S

    2014-03-01

    A slow molecular diffusion rate often limits the desorption process of an absorbate molecule from a liquid absorbent. To enhance the desorption rate, the absorbent is often boiled to increase the liquid vapor interfacial area. However, the growth of bubbles generated during the nucleate boiling process still remains mass-diffusion limited. Here, it is shown that a desorption rate higher than that of boiling can be achieved, if the vapor absorbent interface is continuously replenished with the absorbate-rich solution to limit the concentration boundary layer growth. The study is conducted in a LiBr-water-solution, in which the water molecules' diffusion rate is quite slow. The manipulation of the vapor solution interface concentration distribution is enabled by the mechanical confinement of the solution flow within microchannels, using a hydrophobic vapor-venting membrane and the implementation of microstructures on the flow channel's bottom wall. The microstructures stretch and fold the laminar streamlines within the solution film and produce vortices. The vortices continuously replace the concentrated solution at the vapor solution interface with the water-rich solution brought from the bottom and middle of the flow channel. The physics of the process is described using a combination of experimental and numerical studies. Published by Elsevier Ltd.

  13. The corrosion phenomena in the coin cell BR2325 of the ``superstoichiometric fluorocarbon-lithium'' system

    SciTech Connect

    Mitkin, V.N.; Galkin, P.S.; Denisova, T.N.

    1998-07-01

    It was noted at the earlier study and at the longer observations of the novel various types of superstoichiometric fluorocarbon materials CF{sub 1+x}, where x = 0.1--0.33 (FCM) and their behavior, that despite of their known hygroscopity during a storage of samples in laboratory and technological utensils nevertheless occurs an appreciable sorption of atmospheric moisture. The color of samples does not change but sometimes there appears a smell of hydrogen fluoride and even corrosion of glasswares at a long storage. On the basis of these facts was assumed that at a long storage the slow reactions of HF producing with a sorption moisture can proceed. This phenomena is necessary to take into account for successful manufacturing of long life lithium cells based on superstoichiometric fluorocarbon composite cathodes (FCC). The chemistry of such slow hydrolytic process and especially of processes which can proceed at manufacturing of FCC earlier was not investigated also of any data in the literature in this occasion is not present. Just for this reason the authors undertook a study of the corrosion phenomena which can proceed in industrial sources of a current at a long storage under influence of slow hydrolysis of C-F bonds by moisture. The goal of the study was to search long term damages in the slightly wet FCM and based on these materials cathodic composites for fluorocarbon-lithium cells. As a model for corrosion process investigation they have chosen a standard coin lithium battery of a type BR2325.

  14. Photoluminescence characteristics of polariton condensation in a CuBr microcavity

    SciTech Connect

    Nakayama, Masaaki Murakami, Katsuya; Furukawa, Yoshiaki; Kim, DaeGwi

    2014-07-14

    We have investigated the photoluminescence (PL) properties of a CuBr microcavity at 10?K, including the temporal profiles, from the viewpoint of cavity-polariton condensation. The excitation energy density dependence of the PL intensity (band width) of the lower polariton branch at an in-plane wave vector of k{sub //}?=?0 exhibits a threshold-like increase (decrease). A large blueshift in the PL energy of ?10?meV caused by the cavity-polariton renormalization is correlated with the excitation energy density dependence of the PL intensity. The estimated density of photogenerated electron-hole pairs at the threshold is two orders lower than the Mott transition density. These results consistently demonstrate the occurrence of cavity-polariton condensation. In addition, we found that the PL rise and decay times are shortened dramatically by the cavity-polariton condensation, which reflects the bosonic final state stimulation in the relaxation process and the intrinsic cavity-polariton lifetime in the decay process.

  15. Synthesis and photocatalytic performance of an efficient Ag@AgBr/K{sub 2}Ti{sub 4}O{sub 9} composite photocatalyst under visible light

    SciTech Connect

    Liang, Yinghua; Lin, Shuanglong; Liu, Li; Hu, Jinshan; Cui, Wenquan

    2014-08-15

    Highlights: The plasmatic Ag@AgBr sensitized K{sub 2}Ti{sub 4}O{sub 9} composite photocatalysts. Ag@AgBr greatly increased visible light absorption for K{sub 2}Ti{sub 4}O{sub 9}. The plamonic photocatalysts exhibited enhanced activity for the degradation of RhB. - Abstract: Ag@AgBr nanoparticle-sensitized K{sub 2}Ti{sub 4}O{sub 9} composite photocatalysts (Ag@AgBr/K{sub 2}Ti{sub 4}O{sub 9}) were prepared by a facile precipitationphotoreduction method. The photocatalytic activities of the Ag@AgBr/K{sub 2}Ti{sub 4}O{sub 9} nanocomposites were evaluated for photocatalytic degradation of (RhB) under visible light irradiation. The composites exhibited excellent visible light absorption, which was attributable to the surface plasmon effect of Ag nanoparticles. The Ag@AgBr was uniformly scattered on the surface of K{sub 2}Ti{sub 4}O{sub 9} and possessed sizes in the range of 2050 nm. The loading amount of Ag@AgBr was also studied, and was found to influence the absorption spectra of the resulting composites. Approximately 95.9% of RhB was degraded by Ag@AgBr (20 wt.%)/K{sub 2}Ti{sub 4}O{sub 9} after irradiation for 1 h. The stability of the material was also investigated by performing consecutive runs. Additionally, studies performed using radical scavengers indicated that O{sub 2}{sup ?} and Br{sup 0} acted as the main reactive species. Based on the experimental results, a photocatalytic mechanism for organics degradation over Ag@AgBr/K{sub 2}Ti{sub 4}O{sub 9} photocatalysts was proposed.

  16. Viscosity and density of aqueous solutions of LiBr, LiCl, ZnBr[sub 2], CaCl[sub 2], and LiNO[sub 3]; 1: Single salt solutions

    SciTech Connect

    Wimby, J.M.; Berntsson, T.S. . Dept. of Heat and Power Technology)

    1994-01-01

    New experimental data for the viscosity and density of the binary systems lithium chloride + water, lithium bromide + water, calcium chloride + water, lithium nitrate + water, and zinc bromide + water are presented. Densities are presented in tabular form and as 10-parameter correlations, while kinematic and dynamic viscosities are presented in tabular form. Data are presented in the concentration range from intermediate dilution to close to room temperature crystallization concentration. The temperature ranges are 20--70 C for density and 25--90 C for viscosity. When available, literature data are compared with the new data, and some disagreement is found. New thermogravimetric curves are presented for the dehydration of CaCl[sub 2], ZnBr[sub 2], and LiBr in order to enable evaluation of drying as a composition determination technique.

  17. Comparison of CsBr and KBr coated Cu photocathodes: Effects of laser irradiation and work function changes

    SciTech Connect

    He, Weidong; VilayurGanapathy, Subramanian; Joly, Alan G.; Droubay, Timothy C.; Chambers, Scott A.; Maldonado, Juan R.; Hess, Wayne P.

    2013-02-20

    Thin films (7 nm layers) of CsBr and KBr were deposited on Cu(100) to investigate photoemission properties of these potential photocathode materials. After thin film deposition and prolonged laser ultraviolet (UV) irradiation (266 nm picosecond laser) photoemission quantum efficiency increases by factors of 26 and 77 for KBr/Cu(100) and CsBr/Cu(100) photocathodes, respectively. Immediately following thin film deposition, a decrease in work function is observed, compared to bare Cu, in both cases. Quantum efficiency enhancements are attributed to the decrease in photocathode work function, due to the deposition of alkali halide thin films, and photo-induced processes, that introduce defect states into the alkali halide bandgap, induced by UV laser irradiation. It is possible that alkali metal formation occurs during UV irradiation and that this further contributes to photoemission enhancement. Our results suggest that KBr, a relatively stable alkali-halide, has potential for photocathode applications.

  18. Steady-State Thermal-Hydraulics Analyses for the Conversion of the BR2 Reactor to LEU

    SciTech Connect

    Licht, J. R.; Bergeron, A.; Dionne, B.; Van den Branden, G.; Kalcheva, S.; Sikik, E.; Koonen, E.

    2015-12-01

    BR2 is a research reactor used for radioisotope production and materials testing. It’s a tank-in-pool type reactor cooled by light water and moderated by beryllium and light water (Figure 1). The reactor core consists of a beryllium moderator forming a matrix of 79 hexagonal prisms in a hyperboloid configuration; each having a central bore that can contain a variety of different components such as a fuel assembly, a control or regulating rod, an experimental device, or a beryllium or aluminum plug. Based on a series of tests, the BR2 operation is currently limited to a maximum allowable heat flux of 470 W/cm2 to ensure fuel plate integrity during steady-state operation and after a loss-of-flow/loss-of-pressure accident.

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

    SciTech Connect

    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

  20. Cs{sub 3}Zr{sub 6}Br{sub 15}Z (Z = C, B): A stuffed rhombohedral perovskite structure of linked clusters

    SciTech Connect

    Qi, Ru-Yi; Corbett, J.D.

    1995-03-29

    The isostructural title compounds are synthesized in good yields form reactions of Zr, ZrBr{sub 4}, CsBr, and Z in sealed Ta tubing for {approximately}3 weeks at 850 {degrees}C. Their single-crystal data refinements established the products as Cs{sub 3.02(7)-}Zr{sub 6}Br{sub 14}C and Cs{sub 3.39(5)}Zr{sub 6}br{sub 15}B (R3c, Z = 6, a = 13.1031 (6), 13.116(1) {angstrom}, c = 35.800(3), 35.980(6) {angstrom}, R(F)/R{sub w} = 5.4/5.9, 5.4/4.4%, respectively). The structure is derived form a three-dimensional [Zr{sub 6}(Z)Br{sub 12}]Br{sub 6/2} network of four-rings (as in ReO{sub 6/2}) twisted into a rhombohedral perovskite analogous to VF{sub 3}. The three necessary Cs{sup +} cations are fractionally distributed over five sites that are far from optimal or common, with either eight asymmetric or only three close bromide neighbors. Refinement of a third Cs{sub 3.18(5)}Zr{sub 6}Br{sub 15}C structure at {minus}50 {degrees}C gave the same result with somewhat smaller positional distributions of the atoms.

  1. Palladium-catalyzed Br/D exchange of arenes: Selective deuterium incorporation with versatile functional group tolerance and high efficiency

    SciTech Connect

    Zhang, Honghai -Hai; Bonnesen, Peter V.; Hong, Kunlun

    2015-01-01

    There is a facile method for introducing one or more deuterium atoms onto an aromatic nucleus via Br/D exchange with high functional group tolerance and high incorporation efficiency is disclosed. Deuterium-labeled aryl chlorides and aryl borates which could be used as substrates in cross-coupling reactions to construct more complicated deuterium-labeled compounds can also be synthesized by this method.

  2. Palladium-catalyzed Br/D exchange of arenes: Selective deuterium incorporation with versatile functional group tolerance and high efficiency

    DOE PAGES [OSTI]

    Zhang, Honghai -Hai; Bonnesen, Peter V.; Hong, Kunlun

    2015-07-13

    There is a facile method for introducing one or more deuterium atoms onto an aromatic nucleus via Br/D exchange with high functional group tolerance and high incorporation efficiency is disclosed. Deuterium-labeled aryl chlorides and aryl borates which could be used as substrates in cross-coupling reactions to construct more complicated deuterium-labeled compounds can also be synthesized by this method.

  3. Magnetic excitations in the spin-1/2 triangular-lattice antiferromagnet Cs2CuBr4

    DOE PAGES [OSTI]

    Zvyagin, S. A.; Ozerov, M.; Kamenskyi, D.; Wosnitza, J.; Krzystek, J.; Yoshizawa, D.; Hagiwara, M.; Hu, Rongwei; Ryu, Hyejin; Petrovic, C.; et al

    2015-11-27

    We present on high- field electron spin resonance (ESR) studies of magnetic excitations in the spin- 1/2 triangular-lattice antiferromagnet Cs2CuBr4. Frequency- field diagrams of ESR excitations are measured for different orientations of magnetic fields up to 25 T. We show that the substantial zero- field energy gap, Δ ≈ 9.5 K, observed in the low-temperature excitation spectrum of Cs2CuBr4 [Zvyagin et al:, Phys. Rev. Lett. 112, 077206 (2014)], is present well above TN. Noticeably, the transition into the long-range magnetically ordered phase does not significantly affect the size of the gap, suggesting that even below TN the high-energy spin dynamicsmore » in Cs2CuBr4 is determined by short-range-order spin correlations. The experimental data are compared with results of model spin-wave-theory calculations for spin-1/2 triangle-lattice antiferromagnet.« less

  4. Loss-of-Flow and Loss-of-Pressure Simulations of the BR2 Research Reactor with HEU and LEU Fuel

    SciTech Connect

    Licht, J.; Bergeron, A.; Dionne, B.; Sikik, E.; Van den Branden, G.; Koonen, E.

    2016-01-01

    Belgian Reactor 2 (BR2) is a research and test reactor located in Mol, Belgium and is primarily used for radioisotope production and materials testing. The Materials Management and Minimization (M3) Reactor Conversion Program of the National Nuclear Security Administration (NNSA) is supporting the conversion of the BR2 reactor from Highly Enriched Uranium (HEU) fuel to Low Enriched Uranium (LEU) fuel. The reactor core of BR2 is located inside a pressure vessel that contains 79 channels in a hyperboloid configuration (Figure 1). The core configuration is highly variable as each channel can contain a fuel assembly, a control or regulating rod, an experimental device, or a beryllium or aluminum plug. Because of this variability, a representative core configuration (Figure 2), based on current reactor use, has been defined for the fuel conversion analyses [1]. The code RELAP5/Mod 3.3 [2] was used to perform the transient thermal-hydraulic safety analyses of the BR2 reactor to support reactor conversion. The input model has been modernized relative to that historically used at BR2 taking into account the best modeling practices developed by Argonne National Laboratory (ANL) and BR2 engineers.

  5. Preparation, characterization and photocatalytic activity of visible-light-driven plasmonic Ag/AgBr/ZnFe{sub 2}O{sub 4} nanocomposites

    SciTech Connect

    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.

  6. Electronic-to-vibrational energy transfer from Br* to CO2 and electronic-to-vibrational laser feasibility studies. Master's thesis

    SciTech Connect

    Katapski, S.M.

    1992-11-01

    The energy transfer mechanism from photo-excited bromine atoms (Br(2P sub 1/2)) to C02 is investigated in a pulsed fluorescence experiment. An excimer-pumped pulsed dye laser operating at 480 nm is used to photolyze molecular bromine, resulting in the creation of one excited state bromine atom, Br(2P sub 1/2), and one ground state atom, Br(2P sub 3/2). The electronically-excited bromine atoms (referred to as Br*) collide with and excite vibrational modes in the ground electronic state of CO2. Measurements are made of the Br* lifetimes and associated quenching processes, and the electronic-to-vibrational (E yields V) energy transfer rate from Br* to CO2. The feasibility of subsequent stimulated emission from the CO2 on the (101)-(100)(4.3 micron) transition is studied, and attempts are made to achieve lasing. Limitations of the experimental apparatus prevented achieving stimulated emission on the 4.3 micron transition. Recommendations are made for improvements in the analysis and apparatus for further research.... Bromine, Spin-orbit relaxation, Quenching, E-V energy transfer.

  7. Nanostructured Lanthanum Halides and CeBr3 for Nuclear Radiation and Detection

    SciTech Connect

    Paul Guss, Sanjoy Mukhopadhyay, Ron Guise, Ding Yuan

    2010-06-09

    Scintillator materials are used to detect, and in some cases identify, gamma rays. Higher performance scintillators are expensive, hard to manufacture, fragile, and sometimes require liquid nitrogen or cooling engines. But whereas lower-quality scintillators are cheap, easy to manufacture, and more rugged, their performance is lower. At issue: can the desirable qualities of high-and low-performance scintillators be combined to achieve better performance at lower cost? Preliminary experiments show that a LaF{sub 3}:Ce oleic acid-based nanocomposite exhibits a photopeak when exposed to {sup 137}Cs source gamma-radiation. The chemical synthesis of the cerium-doped lanthanum halide nanoparticles are scalable and large quantities of material can be produced at a time, unlike typical crystal growth processes such as the Bridgeman process. Using a polymer composite (Figure 1), produced by LANL, initial measurements of the unloaded and 8% LaF{sub 3}:Ce-loaded sample have been made using {sup 137}Cs sources. Figure 2 shows an energy spectrum acquired for CeF{sub 3}. The lighter plot is the measured polymer-only spectrum and the black plot is the spectrum from the nanocomposite scintillator. As the development of this material continues, the energy resolution is expected to improve and the photopeak-to-Compton ratio will become greater at higher loadings. These measurements show the expected Compton edge in the polymer-only sample, and the Compton edge and photo-peak expected in the nanophosphor composites that LANL has produced. Using a porous VYCORR with CdSe/ZnS core shell quantum dots, Letant has demonstrated that he has obtained signatures of the 241Am photopeak with energy resolution as good at NaI (Figure 3). We begin with the fact that CeBr{sub 3} crystals do not have a self-activity component as strong as the lanthanum halides. The radioactive 0.090% {sup 138}La component of lanthanum leads to significant self-activity, which will be a problem for very large

  8. Theoretical investigation of structural properties of CuCl, CuBr and CuI compounds under hydrostatic pressure

    SciTech Connect

    Louhibi-Fasla, S.; Djabri, H. Rekab; Achour, H.; Kefif, K.

    2013-12-16

    We have applied a recent version of the full potential linear muffin-tin orbitals method (FPLMTO) to study the structural properties of copper halides CuX (X=Cl, Br, I) under high pressure using the generalized gradient approximation (GGA) for the exchange and correlation potential by Perdew et al. Results are given for lattice parameters, bulk modulus and its first derivatives in the wurtzite(B4), zinc-blende (B3), CsCl (B2), rock-salt (B1), and PbO (B10) structures. The results of these calculations are compared with the available theoretical and experimental data.

  9. Preliminary design report: Babcock and Wilcox BR-100 100-ton rail/barge spent fuel shipping cask

    SciTech Connect

    1990-02-01

    The purpose of this document is to provide information on burnup credit as applied to the preliminary design of the BR-100 shipping cask. There is a brief description of the preliminary basket design and the features used to maintain a critically safe system. Following the basket description is a discussion of various criticality analyses used to evaluate burnup credit. The results from these analyses are then reviewed in the perspective of fuel burnups expected to be shipped to either the final repository or a Monitored Retrievable Storage (MRS) facility. The hurdles to employing burnup credit in the certification of any cask are then outlines and reviewed. the last section gives conclusions reached as to burnup credit for the BR-100 cask, based on our analyses and experience. All information in this study refers to the cask configured to transport PWR fuel. Boiling Water Reactor (BWR) fuel satisfies the criticality requirements so that burnup credit is not needed. All calculations generated in the preparation of this report were based upon the preliminary design which will be optimized during the final design. 8 refs., 19 figs., 16 tabs.

  10. Impact of membrane characteristics on the performance and cycling of the Br-2-H-2 redox flow cell

    SciTech Connect

    Tucker, MC; Cho, KT; Spingler, FB; Weber, AZ; Lin, GY

    2015-06-15

    The Br-2/H-2 redox flow cell shows promise as a high-power, low-cost energy storage device. In this paper, the effect of various aspects of material selection and processing of proton exchange membranes on the operation of the Br-2/H-2 redox flow cell is determined. Membrane properties have a significant impact on the performance and efficiency of the system. In particular, there is a tradeoff between conductivity and crossover, where conductivity limits system efficiency at high current density and crossover limits efficiency at low current density. The impact of thickness, pretreatment procedure, swelling state during cell assembly, equivalent weight, membrane reinforcement, and addition of a microporous separator layer on this tradeoff is assessed. NR212 (50 mu m) pretreated by soaking in 70 degrees C water is found to be optimal for the studied operating conditions. For this case, an energy efficiency of greater than 75% is achieved for current density up to 400 mA cm(-2), with a maximum obtainable energy efficiency of 88%. A cell with this membrane was cycled continuously for 3164 h. Membrane transport properties, including conductivity and bromine and water crossover, were found to decrease moderately upon cycling but remained higher than those for the as-received membrane. (C) 2015 Elsevier B.V. All rights reserved.

  11. Dissociative adsorption of CH{sub 3}X (X = Br and Cl) on a silicon(100) surface revisited by density functional theory

    SciTech Connect

    Wang, Chen-Guang; Huang, Kai E-mail: wji@ruc.edu.cn; Ji, Wei E-mail: wji@ruc.edu.cn

    2014-11-07

    During the dissociative adsorption on a solid surface, the substrate usually participates in a passive manner to accommodate fragments produced upon the cleavage of the internal bond(s) of a (transient) molecular adsorbate. This simple picture, however, neglects the flexibility of surface atoms. Here, we report a Density Functional Theory study to revisit our early studies of the dissociative adsorption of CH{sub 3}X (X = Br and Cl) on Si(100). We have identified a new reaction pathway, which involves a flip of a silicon dimer; this new pathway agrees better with experiments. For our main exemplar of CH{sub 3}Br, insights have been gained using a simple model that involves a three-atom reactive center, Br-C-Si. When the silicon dimer flips, the interaction between C and Si in the Br-C-Si center is enhanced, evident in the increased energy-split of the frontier orbitals. We also examine how the dissociation dynamics of CH{sub 3}Br is altered on a heterodimer (Si-Al, Si-P, and Si-Ge) in a Si(100) surface. In each case, we conclude, on the basis of computed reaction pathways, that no heterodimer flipping is involved before the system transverses the transition state to dissociative adsorption.

  12. Crystal structure, electronic structure, temperature-dependent optical and scintillation properties of CsCe2Br7

    SciTech Connect

    Wu, Yuntao; Shi, Hongliang; Chakoumakos, Bryan C.; Zhuravleva, Mariya; Du, Mao-Hua; Melcher, Charles L.

    2015-10-05

    CsCe2Br7 is a self-activated inorganic scintillator that shows promising performance, but the understanding of the important structure-property relationships is lacking. In this work, we conduct a comprehensive study on CCsCe2Br7. The crystal structure of CsCe2Br7 is refined using single crystal X-ray study for the first time. It crystallizes into the orthorhombic crystal system with Pmnb space group. Its electronic structure is revealed by Density Functional Theory (DFT) calculations. Two cerium emission centers are identified and the energy barriers related to the thermal quenching to 4f ground states of Ce3+ for these two Ce centers are evaluated. CsCe2Br7 single crystal has better light yield and energy resolution than CsCe2Cl7, but with an additional slow decay component of 1.7 s. The existence of a deep trap with a depth of 0.9 eV in CsCe2Cl7 contributes to its higher afterglow level in comparison to that of CsCe2Br7. The most possible point defects in CsCe2Cl7 and CsCe2Br7 are proposed by considering the vapour pressure in the growth atmosphere upon melting point.

  13. Environmental effects on noble-gas hydrides: HXeBr, HXeCCH, and HXeH in noble-gas and molecular matrices

    SciTech Connect

    Tsuge, Masashi E-mail: leonid.khriachtchev@helsinki.fi; Lignell, Antti; Rsnen, Markku; Khriachtchev, Leonid E-mail: leonid.khriachtchev@helsinki.fi

    2013-11-28

    Noble-gas hydrides HNgY (Ng is a noble-gas atom and Y is an electronegative group) are sensitive probes of local environment due to their relatively weak bonding and large dipole moments. We experimentally studied HXeBr in Ar, Kr, and N{sub 2} matrices, HXeCCH in Ne and N{sub 2} matrices, and HXeH in an N{sub 2} matrix. These are the first observations of noble-gas hydrides in an N{sub 2} matrix. An N{sub 2} matrix strongly increases the HXe stretching frequency of HXeBr and HXeCCH with respect to a Ne matrix, which is presumably due to a strong interaction between the HNgY dipole moment and quadrupole moments of the surrounding lattice N{sub 2} molecules. The spectral shift of HXeBr in an N{sub 2} matrix is similar to that in a CO{sub 2} matrix, which is a rather unexpected result because the quadrupole moment of CO{sub 2} is about three times as large as that of N{sub 2}. The HXe stretching frequencies of HXeBr and HXeCCH in noble-gas matrices show a trend of ?(Ne) < ?(Xe) < ?(Kr) < ?(Ar), which is a non-monotonous function of the dielectric constants of the noble-gas solids. The MP2(full) calculations of HXeBr and HXeCCH with the polarizable continuum model as well as the CCSD(T) calculations of the HXeBrNg and HXeCCHNg (Ng = Ne, Ar, Kr, and Xe) complexes cannot fully explain the experimental observations. It is concluded that more sophisticated computational models should be used to describe these experimental findings.

  14. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal

    DOE PAGES [OSTI]

    Yang, Ye; Yan, Yong; Yang, Mengjin; Choi, Sukgeun; Zhu, Kai; Luter, Joseph M.; Beard, Matthew C.

    2015-08-06

    Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows sufficient characteristics, the surface recombination, which can have major impact on the solar cell performance, has not been studied. Here we measure surface recombination dynamics in CH3NH3PbBr3 perovskite single crystals using broadband transient reflectance spectroscopy. The surface recombination velocity is found to be 3.4±0.1 103 cm s-1, B2–3 orders of magnitude lower than that in many important unpassivated semiconductors employed in solar cells. Our result suggests that the planar grain sizemore » for the perovskite thin films should be larger thanB30 mm to avoid the influence of surface recombination on the effective carrier lifetime.« less

  15. Pulse-shape discrimination and energy quenching of alpha particles in Cs2LiLaBr6:Ce3+

    DOE PAGES [OSTI]

    Mesick, Katherine Elizabeth; Coupland, Daniel David S.; Stonehill, Laura Catherine

    2016-10-19

    Cs2LiLaBr6:Ce3+ (CLLB) is an elpasolite scintillator that offers excellent linearity and gamma-ray energy resolution and sensitivity to thermal neutrons with the ability to perform pulse-shape discrimination (PSD) to distinguish gammas and neutrons. Our investigation of CLLB has indicated the presence of intrinsic radioactive alpha background that we have determined to be from actinium contamination of the lanthanum component. We measured the pulse shapes for gamma, thermal neutron, and alpha events and determined that PSD can be performed to separate the alpha background with a moderate figure of merit of 0.98. Here, we also measured the electron-equivalent-energy of the alpha particlesmore » in CLLB and simulated the intrinsic alpha background from 227Ac to determine the quenching factor of the alphas.« less

  16. Comparison of Recombination Dynamics in CH3NH3PbBr3 and CH3NH3PbI3

    Office of Scientific and Technical Information (OSTI)

    Perovskite Films: Influence of Exciton Binding Energy (Journal Article) | SciTech Connect Comparison of Recombination Dynamics in CH3NH3PbBr3 and CH3NH3PbI3 Perovskite Films: Influence of Exciton Binding Energy Citation Details In-Document Search Title: Comparison of Recombination Dynamics in CH3NH3PbBr3 and CH3NH3PbI3 Perovskite Films: Influence of Exciton Binding Energy Authors: Yang, Ye ; Yang, Mengjin ; Li, Zhen ; Crisp, Ryan ; Zhu, Kai ; Beard, Matthew C. Publication Date: 2015-12-03

  17. Stabilized wide bandgap MAPbBrxI3-x perovskite by enhanced grain size and improved crystallinity

    SciTech Connect

    Hu, Miao; Bi, Cheng; Yuan, Yongbo; Bai, Yang; Huang, Jinsong

    2015-12-07

    In this study, the light instability of CH3NH3PbIxBr3–x has been raised one of the biggest challenges for its application in tandem solar cells. Here we show that an improved crystallinity and grain size of CH3NH3PbIxBr3–x films could stabilize these materials under one sun illumination, improving both the efficiency and stability of the wide-bandgap perovskite solar cells.

  18. CROSSED MOLECULAR BEAM STUDIES OF CHEMILUMINESCENT REACTIONS: F{sub 2} + I{sub 2}, Br{sub 2} and ICl

    SciTech Connect

    Kahler, C.C.; Lee, Y.T.

    1980-05-01

    The chemiluminescent bimolecular halogen-halogen reactions, F{sub 2} + I{sub 2}, Br{sub 2} and ICl, have been studied by the crossed molecular beam technique. Undispersed chemiluminescence was measured as a function of collision energy and, for I{sub 2} + F{sub 2}, as a function of the two beam pressures. Although no spectra were obtained to positively identify the emitters as IF*, ClF* and BrF*, arguments are given to support this identification. The observed reaction thresholds of 4.2 and 5.9 kcal/mole for I{sub 2} + F{sub 2} and ICl + F{sub 2} , respectively, are the same as the threshold energies for production of the stable trihalogens I{sub 2}F and ClF. This coincidence of threshold energies, as well as similar high collision energy behavior, implies that the chemiluminescent reaction proceeds via a stable trihalogen intermediate. This mechanism can explain our results and the results of other workers without resorting to a symmetry forbidden four center reaction mechanism. A threshold of 11.3 kcal/mole was found for Br{sub 2} + F{sub 2} , no threshold for Br{sub 2}F has been previously reported. Laser enhancement of the I{sub 2} + F{sub 2} reaction was attempted, but no enhancement was seen.

  19. Renewable energy in focus: In{sub 5}Se{sub 5}Br, a solid material with promising thermoelectric properties for industrial applications

    SciTech Connect

    Xhaxhiu, Kledi; Kvarnström, Carita; Damlin, Pia; Bente, Klaus

    2014-12-15

    Highlights: • In{sub 5}Se{sub 5}Br contains indium simultaneously in three different oxidation states. • Bulk sample of In{sub 5}Se{sub 5}Br shows n-type conductivity. • The Seebeck voltage increases linearly with the temperature difference increase. • In bulk In{sub 5}Se{sub 5}Br the resistivity oscillates between 2.6 MΩ and 23 MΩ. • DTA and HT-powder XRD data show incongruent melting of the compound. - Abstract: We obtained via solid state synthesis needle-shaped crystals of In{sub 5}Se{sub 5}Br crystallizing in the space group Pmn2{sub 1} and containing indium simultaneously in three different oxidation states: In{sup +}, formal In{sup 2+} and In{sup 3+}. Bulk sample of In{sub 5}Se{sub 5}Br shows n-type conductivity and linear increase of Seebeck voltage with the temperature difference increase. Seebeck voltage of approx. 720 mV is recorded at a temperature difference of 80 K, corresponding to a Seebeck coefficient −8900 μV/K. A voltage increase up to 250 mV is recorded within 10 min upon application of a 27 K temperature difference between the contacts. On-off switching of the heating source unveils repeatable results. Linear I–U behavior with a resistivity of 2.32 × 10{sup 11} Ω is observable for individual needles of In{sub 5}Se{sub 5}Br. In bulk In{sub 5}Se{sub 5}Br the resistivity oscillates between 2.6 MΩ and 23 MΩ. DTA and HT-powder XRD data show incongruent melting to InBr, InSe and In{sub 2}Se{sub 3} at 805 K. The ternary compound expands 1.02% along [0 1 0] showing a coefficient of thermal expansion α{sub b} = 2.3(4) × 10{sup −5} K{sup −1}. Lower expansions of 0.6% and 0.16% along a and c axes corresponding to mean coefficients of thermal expansion of α{sub a}{sup ¯} = 1.3(1) × 10{sup −5} K{sup −1}, α{sub c}{sup ¯} = 4.4(5) × 10{sup −6} K{sup −1} are observed. Thin layer growing of In{sub 5}Se{sub 5}Br on glass substrate with targeted doping/substitutions can improve the sample conductivity, increase the Seebeck

  20. ALD Vacuum Technologies GmbH | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    vacuum process equipment, including polycrystalline silicon furnaces for PV feedstock recycling. Coordinates: 50.135387, 8.916574 Show Map Loading map... "minzoom":false,"mapp...

  1. Atmospheric pressure plasma enhanced spatial ALD of silver

    SciTech Connect

    Bruele, Fieke J. van den Smets, Mireille; Illiberi, Andrea; Poodt, Paul; Buskens, Pascal; Roozeboom, Fred

    2015-01-15

    The authors have investigated the growth of thin silver films using a unique combination of atmospheric process elements: spatial atomic layer deposition and an atmospheric pressure surface dielectric barrier discharge plasma source. Silver films were grown on top of Si substrates with good purity as revealed by resistivity values as low as 18 μΩ cm and C- and F-levels below detection limits of energy dispersive x-ray analysis. The growth of the silver films starts through the nucleation of islands that subsequently coalesce. The authors show that the surface island morphology is dependent on surface diffusion, which can be controlled by temperature within the deposition temperature range of 100–120 °C.

  2. Magnetic excitations in the spin-1/2 triangular-lattice antiferromagnet Cs2CuBr4

    SciTech Connect

    Zvyagin, S. A.; Ozerov, M.; Kamenskyi, D.; Wosnitza, J.; Krzystek, J.; Yoshizawa, D.; Hagiwara, M.; Hu, Rongwei; Ryu, Hyejin; Petrovic, C.; Zhitomirsky, M. E.

    2015-11-27

    We present on high- field electron spin resonance (ESR) studies of magnetic excitations in the spin- 1/2 triangular-lattice antiferromagnet Cs2CuBr4. Frequency- field diagrams of ESR excitations are measured for different orientations of magnetic fields up to 25 T. We show that the substantial zero- field energy gap, Δ ≈ 9.5 K, observed in the low-temperature excitation spectrum of Cs2CuBr4 [Zvyagin et al:, Phys. Rev. Lett. 112, 077206 (2014)], is present well above TN. Noticeably, the transition into the long-range magnetically ordered phase does not significantly affect the size of the gap, suggesting that even below TN the high-energy spin dynamics in Cs2CuBr4 is determined by short-range-order spin correlations. The experimental data are compared with results of model spin-wave-theory calculations for spin-1/2 triangle-lattice antiferromagnet.

  3. Spectroscopic Evidence for a High-Spin Br-Fe(IV)-Oxo Intermediate in the alpha-Ketoglutarate-Dependent Halogenase CytC3 from Streptomyces

    SciTech Connect

    Galonic Fujimori,D.; Barr, E.; Matthews, M.; Koch, G.; Yonce, J.; Walsh, C.; Bollinger, J.; Krebs, C.; Riggs-Gelasco, P.

    2007-01-01

    The complex of the mononuclear non-heme halogenase CytC3 from Streptomyces, Fe(II), {alpha}-ketoglutarate, bromide, and the substrate l-2-aminobutyryl-S-CytC2 reacts with O2 to form a reaction intermediate. Variable-field, freeze-quench Mossbauer spectroscopy reveals this intermediate to be a mixture of two high-spin Fe(IV) complexes in an approximate 3.7/1 ratio. Freeze-quench Fe K-edge X-ray absorption spectroscopy provides further insight into the structure of this intermediate. A short 1.62-Angstroms interaction between the Fe and one of its ligands is attributed to the Fe(IV)-oxo group, and a 2.43-Angstroms interaction is assigned to the Fe-Br interaction. A significantly longer Fe-Br separation (2.53 Angstroms) is observed in the reactant complex, consistent with lower valency of the Fe in the reactant complex. This intermediate is the first example for a Br-Fe(IV)-oxo complex in a protein and provides evidence for a unifying mechanism for Fe(II) and {alpha}-ketoglutarate-dependent dioxygenases and halogenases.

  4. Spectroscopic Evidence for a High-Spin Br-Fe(IV)-Oxo Intermediate in the -Ketoglutarate-Dependent Halogenase CyTc3 From Streptomyces

    SciTech Connect

    Fujimori, D.Galonic; Barr, E.W.; Matthews, M.L.; Koch, G.M.; Yonce, J.R.; Walsh, C.T.; Bollinger, J.M., Jr.; Krebs, C.; Riggs-Gelasco, P.J.

    2009-06-01

    The complex of the mononuclear non-heme halogenase CytC3 from Streptomyces, Fe(II), {alpha}-ketoglutarate, bromide, and the substrate l-2-aminobutyryl-S-CytC2 reacts with O{sub 2} to form a reaction intermediate. Variable-field, freeze-quench Moessbauer spectroscopy reveals this intermediate to be a mixture of two high-spin Fe(IV) complexes in an approximate 3.7/1 ratio. Freeze-quench Fe K-edge X-ray absorption spectroscopy provides further insight into the structure of this intermediate. A short 1.62-{angstrom} interaction between the Fe and one of its ligands is attributed to the Fe(IV)-oxo group, and a 2.43-{angstrom} interaction is assigned to the Fe-Br interaction. A significantly longer Fe-Br separation (2.53 {angstrom}) is observed in the reactant complex, consistent with lower valency of the Fe in the reactant complex. This intermediate is the first example for a Br-Fe(IV)-oxo complex in a protein and provides evidence for a unifying mechanism for Fe(II) and {alpha}-ketoglutarate-dependent dioxygenases and halogenases.

  5. Communication: Transfer ionization in a thermal reaction of a cation and anion: Ar{sup +} with Br{sup −} and I{sup −}

    SciTech Connect

    Shuman, Nicholas S.; Miller, Thomas M.; Viggiano, Albert A.; Johnsen, Rainer

    2013-11-07

    We present experimental evidence that reactions of argon cations Ar{sup +} with the halogen anions Br{sup −} and I{sup −} do not occur exclusively by mutual neutralization, but also produce the cations Br{sup +} or I{sup +} ions by transfer ionization (TI). The experiments were carried out in flowing-afterglow plasmas at gas temperatures between and 300 and 500 K, and employed a variant of the Variable Electron and Neutral Density Attachment Mass Spectrometry method. The measured TI rate coefficients are 1.9 ± 0.6 × 10{sup −9} cm{sup 3} s{sup −1} and 1.1 ± {sub 0.3}{sup 0.8}× 10{sup −9} cm{sup 3} s{sup −1} for the Br{sup −} and I{sup −} reactions, respectively. We find that the TI rate coefficients decline with temperature as T{sup −0.5} to T{sup −1}. No indication of TI was found in the reaction with Cl{sup −}, where it is endoergic.

  6. Neutron inelastic scattering investigation of the magnetic excitations in Cu{sub 2}Te{sub 2}O{sub 5}X{sub 2} (X=Br,Cl)

    SciTech Connect

    Crowe, S.J.; Majumdar, S.; Lees, M.R.; Paul, D. McK.; Bewley, R.I.; Levett, S.J.; Ritter, C.

    2005-06-01

    Neutron inelastic scattering investigations have been performed on the spin tetrahedral system Cu{sub 2}Te{sub 2}O{sub 5}X{sub 2} (X=Cl,Br). We report the observation of magnetic excitations with a dispersive component in both compounds, associated with the three-dimensional incommensurate magnetic order that develops below T{sub N}{sup Cl}=18.2 K and T{sub N}{sup Br}=11.4 K. The excitation in Cu{sub 2}Te{sub 2}O{sub 5}Cl{sub 2} softens as the temperature approaches T{sub N}{sup Cl}, leaving diffuse quasi-elastic scattering above the transition temperature. In the bromide, the excitations are present well above T{sub N}{sup Br}, which might be attributed to the presence of a degree of low dimensional correlations above T{sub N}{sup Br} in this compound.

  7. Parity violation in nuclear magnetic resonance frequencies of chiral tetrahedral tungsten complexes NWXYZ (X, Y, Z = H, F, Cl, Br or I)

    SciTech Connect

    Nahrwold, Sophie Berger, Robert; Clemens-Schöpf-Institute, Technical University Darmstadt, Petersenstr. 22, D-64287 Darmstadt ; Schwerdtfeger, Peter; Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Str., D-35032 Marburg

    2014-01-14

    Density functional theory within the two-component quasi-relativistic zeroth-order regular approximation (ZORA) is used to predict parity violation shifts in {sup 183}W nuclear magnetic resonance shielding tensors of chiral, tetrahedrally bonded tungsten complexes of the form NWXYZ (X, Y, Z = H, F, Cl, Br or I), as well as for the heavier systems NWHAtF and NWH(117)F for comparison. The calculations reveal that sub-mHz accuracy is required to detect such tiny effects in this class of compounds, and that parity violation effects are very sensitive to the choice of ligands.

  8. NMR shielding and spin–rotation constants of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules

    SciTech Connect

    Demissie, Taye B.

    2015-12-31

    This presentation demonstrates the relativistic effects on the spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants and shielding spans of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules. The results are obtained from calculations performed using density functional theory (non-relativistic and four-component relativistic) and coupled-cluster calculations. The spin-rotation constants are compared with available experimental values. In most of the molecules studied, relativistic effects make an order of magnitude difference on the NMR absolute shielding constants.

  9. A chopper system for shortening the duration of pulsed supersonic beams seeded with NO or Br{sub 2} down to 13 μs

    SciTech Connect

    Lam, Jessica; Rennick, Christopher J.; Softley, Timothy P.

    2015-05-15

    A chopper wheel construct is used to shorten the duration of a molecular beam to 13 μs. Molecular beams seeded with NO or with Br{sub 2} and an initial pulse width of ≥200 μs were passed through a spinning chopper wheel, which was driven by a brushless DC in vacuo motor at a range of speeds, from 3000 rpm to 80 000 rpm. The resulting duration of the molecular-beam pulses measured at the laser detection volume ranged from 80 μs to 13 μs and was the same for both NO and Br{sub 2}. The duration is consistent with a simple analytical model, and the minimum pulse width measured is limited by the spreading of the beam between the chopper and the detection point as a consequence of the longitudinal velocity distribution of the beam. The setup adopted here effectively eliminates buildup of background gas without the use of a differential pumping stage, and a clean narrow pulse is obtained with low rotational temperature.

  10. Design and experimental testing of the performance of an outdoor LiBr/H{sub 2}O solar thermal absorption cooling system with a cold store

    SciTech Connect

    Agyenim, Francis; Knight, Ian; Rhodes, Michael

    2010-05-15

    A domestic-scale prototype experimental solar cooling system has been developed based on a LiBr/H{sub 2}O absorption system and tested during the 2007 summer and autumn months in Cardiff University, UK. The system consisted of a 12 m{sup 2} vacuum tube solar collector, a 4.5 kW LiBr/H{sub 2}O absorption chiller, a 1000 l cold storage tank and a 6 kW fan coil. The system performance, as well as the performances of the individual components in the system, were evaluated based on the physical measurements of the daily solar radiation, ambient temperature, inlet and outlet fluid temperatures, mass flow rates and electrical consumption by component. The average coefficient of thermal performance (COP) of the system was 0.58, based on the thermal cooling power output per unit of available thermal solar energy from the 12 m{sup 2} Thermomax DF100 vacuum tube collector on a hot sunny day with average peak insolation of 800 W/m{sup 2} (between 11 and 13.30 h) and ambient temperature of 24 C. The system produced an electrical COP of 3.6. Experimental results prove the feasibility of the new concept of cold store at this scale, with chilled water temperatures as low as 7.4 C, demonstrating its potential use in cooling domestic scale buildings. (author)

  11. Thorough Chemical Decontamination with the MEDOC Process : Batch Treatment of Dismantled Pieces or Loop Treatment of Large Components Such as the BR3 Steam Generator and Pressurizer

    SciTech Connect

    Ponnet, M.; Klein, M.; Massaut, V.; Davain, H.; Aleton, G.

    2003-02-25

    The dismantling of the BR3-PWR reactor leads to the production of large masses of contaminated metallic pieces, including structural materials, primary pipings, tanks and heat exchangers. One of our main objectives is to demonstrate that we can minimize the volume of radioactive waste in an economical way, by the use of alternative waste routes, such as the clearance of materials after thorough decontamination. The SCKoCEN uses its own developed chemical decontamination process, so-called MEDOC (Metal Decontamination by Oxidation with Cerium), based on the use of cerium IV as strong oxidant in sulphuric acid with continuous regeneration using ozone. An industrial installation has been designed and constructed in close collaboration with Framatome-ANP (France). This installation started operation in September 1999 for the treatment of the metallic pieces arising from the dismantling of the BR3 reactor. Since then, more than 25 tons of contaminated material including primary pipes have been treated batchwise with success. 75 % of material could be directly cleared after treatment (Activity lower than 0.1 Bq/g for 60Co) and the other 25% free released after melting activity. The SCKoCEN performed in April 2002 the closed loop decontamination of the BR3 Steam Generator by connection of the MEDOC plant after few adaptations. The decontamination was done within 30 cycles in 3 weeks with consecutive steps like decontamination steps (injection of the solution into the SG) and regeneration steps with ozone. In total, 60 hours of decontamination at 70 C and 130 hours of regeneration were needed to reach the objectives. The tube bundle (600 m2) was attacked and about 10 {micro}m representing more than 41 kg of stainless steel and 2.06 GBq of 60Co was dissolved into the solution. The residual contamination measurements made directly into the water box are still going on, however it seems that the objective to reach the free release criteria after melting is achieved. The next

  12. Estimation of steady-state and transcient power distributions for the RELAP analyses of the 1963 loss-of-flow and loss-of-pressure tests at BR2.

    SciTech Connect

    Dionne, B.; Tzanos, C. P.

    2011-05-23

    To support the safety analyses required for the conversion of the Belgian Reactor 2 (BR2) from highly-enriched uranium (HEU) to low-enriched uranium (LEU) fuel, the simulation of a number of loss-of-flow tests, with or without loss of pressure, has been undertaken. These tests were performed at BR2 in 1963 and used instrumented fuel assemblies (FAs) with thermocouples (TC) imbedded in the cladding as well as probes to measure the FAs power on the basis of their coolant temperature rise. The availability of experimental data for these tests offers an opportunity to better establish the credibility of the RELAP5-3D model and methodology used in the conversion analysis. In order to support the HEU to LEU conversion safety analyses of the BR2 reactor, RELAP simulations of a number of loss-of-flow/loss-of-pressure tests have been undertaken. Preliminary analyses showed that the conservative power distributions used historically in the BR2 RELAP model resulted in a significant overestimation of the peak cladding temperature during the transient. Therefore, it was concluded that better estimates of the steady-state and decay power distributions were needed to accurately predict the cladding temperatures measured during the tests and establish the credibility of the RELAP model and methodology. The new approach ('best estimate' methodology) uses the MCNP5, ORIGEN-2 and BERYL codes to obtain steady-state and decay power distributions for the BR2 core during the tests A/400/1, C/600/3 and F/400/1. This methodology can be easily extended to simulate any BR2 core configuration. Comparisons with measured peak cladding temperatures showed a much better agreement when power distributions obtained with the new methodology are used.

  13. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal

    SciTech Connect

    Yang, Ye; Yan, Yong; Yang, Mengjin; Choi, Sukgeun; Zhu, Kai; Luter, Joseph M.; Beard, Matthew C.

    2015-08-06

    Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows sufficient characteristics, the surface recombination, which can have major impact on the solar cell performance, has not been studied. Here we measure surface recombination dynamics in CH3NH3PbBr3 perovskite single crystals using broadband transient reflectance spectroscopy. The surface recombination velocity is found to be 3.4±0.1 103 cm s-1, B2–3 orders of magnitude lower than that in many important unpassivated semiconductors employed in solar cells. Our result suggests that the planar grain size for the perovskite thin films should be larger thanB30 mm to avoid the influence of surface recombination on the effective carrier lifetime.

  14. Feasibility of a super high-energy-density battery of the Li/Br/F sub 3 electrochemical system. Final report, 15 August 1989-14 May 1990

    SciTech Connect

    Frysz, C.A.; Pyszczek, M.F.; Ebel, S.J.

    1990-08-16

    Feasibility studies on the practical aspects of developing a lithium/bromine trifluoride battery have been studied. Efforts directed toward identifying materials for porous electrode separators, glasses for insulated electrical feed-throughs, and metals for lid, case and current collector fabrication via electrochemical testing techniques have resulted in a list of materials suitable for these applications. Prototype cells utilizing a spirally wound electrode configuration have been constructed and discharged. The use of lithium salts as an electrolyte additive has been explored, and has shown a positive effect on discharge performance. Through the use of currently available technology, however, the lithium/bromine trifluoride couple has not delivered energy density comparable to other high energy density lithium systems. This investigation has revealed that practical Li/BrF3 cell development will require further extensive fundamental electrochemical research.

  15. Magnetic property, Raman spectroscopy and crystal field analysis of Sm{sub 3+} in Sm(BrO{sub 3}){sub 3}⋅9H{sub 2}O

    SciTech Connect

    Mandal, J.; Chakrabarti, P. K.; Purohit, T.; Chattopadhyay, K. N.; Ghosh, M.

    2014-04-24

    Single crystals of Sm(BrO{sub 3}){sub 3}⋅9H{sub 2}O (SmBR) were grown and the principal molar susceptibility perpendicular to c-axis (χ{sub ⊥}) was measured from 300 K down to 14 K and χ{sub ‖}, the parallel susceptibility, anisotropy was measured in the temperature range of 300-120 K. A cross-over between χ{sub ‖} and χ{sub ⊥} was observed at ∼ 120 K i.e., below this temperature χ{sub |||}<χ{sub ‖}. Raman spectra of SmBR were recorded in the wave number range of 10-4000 cm{sup −1} and crystal field (CF) Stark energies were extracted from the spectra. A good theoretical simulation of the observed magnetic susceptibilities and observed CF Stark energies of Sm{sup 3+} in SmBR was achieved using the one electron crystal field (CF) interaction with D{sup 3h} site symmetry. The electronic specific heat along with the quadruple splitting and hyperfine heat capacity were calculated by using the results of CF analysis.

  16. Laser Raman spectroscopy study of the zinc and bromide ion complex equilibrium in zinc/bromine battery electrolytes. [2M ZnBr/sub 2/ and 1M KBr solution

    SciTech Connect

    Grimes, P.G.; Larrabee, J.A.

    1985-01-01

    Laser Raman spectroscopy was used to study the zinc and bromide ion complex equilibrium in zinc bromine battery model electrolytes. Solutions of zinc bromide with added KBr, HBr and N-methyl, N-ethyl morpholinium (MEM) bromide were examined and compared. Solutions studied ranged from 1 to 3 molar in zinc and from 2.5 to 8 molar in bromide. A typical Raman spectrum of a zinc bromide solution is shown in Figure 1. Each of the zinc species is identified, Zn/sup + +/ (aq), ZnBr/sup +/, ZnBr/sub 2/ (aq), ZnBr/sub 3//sup -/ and ZnBr/sub 4//sup 2 -/. By the use of peak heights or deconvolution/integration along with published Raman cross sections, the amount of each zinc species could be quantitatively determined. The addition of bromide ions to the zinc bromide solutions will shift the equilibrium toward higher bromide complexes. The added cations will influence the shifts. It has been noted that the conductivity of the electrolyte decreases when the quaternary ammonium ions are present compared to cations such as potassium or hydrogen. Significantly more free zinc is present in zinc bromide solutions with added KBr than with either MEMBr or HBr. Shifts are also noted with the other zinc ion containing species. It appears that the quaternary ammonium ions and possibly the pH could have a stabilizing effect on zinc bromide complex ion formation. 2 figs.

  17. Incommensurate magnetic ordering in Cu{sub 2}Te{sub 2}O{sub 5}X{sub 2} (X=Cl,Br) studied by single crystal neutron diffraction

    SciTech Connect

    Zaharko, O.; Roennow, H.; Mesot, J.; Crowe, S. J.; Paul, D. McK.; Brown, P. J.; Daoud-Aladine, A.; Meents, A.; Wagner, A.; Prester, M.; Berger, H.

    2006-02-01

    Polarized and unpolarized neutron-diffraction studies have been carried out on single crystals of the coupled spin tetrahedra systems Cu{sub 2}Te{sub 2}O{sub 5}X{sub 2} (X=Cl,Br). A model of the magnetic structure associated with the propagation vectors k{sup '}{sub Cl}{approx_equal}(-0.150,0.422,(1/2)) and k{sup '}{sub Br}{approx_equal}(-0.172,0.356,(1/2)) and stable below T{sub N}=18 K for X=Cl and T{sub N}=11 K for X=Br is proposed. A feature of the model, common to both the bromide and chloride, is a canted coplanar motif for the four Cu{sup 2+} spins on each tetrahedron which rotates on a helix from cell to cell following the propagation vector. The Cu{sup 2+} magnetic moment determined for X=Br,0.395(5){mu}{sub B}, is significantly less than for X=Cl,0.88(1){mu}{sub B} at 2 K. The magnetic structure of the chloride associated with the wave vector k{sup '} differs from that determined previously for the wave vector k{approx_equal}(0.150,0.422,(1/2)) [O. Zaharko et al., Phys. Rev. Lett. 93, 217206(E) (2004)].

  18. On the electronic structure and thermoelectric properties of BiTeBr and BiTeI single crystals and of BiTeI with the addition of BiI{sub 3} and CuI

    SciTech Connect

    Kulbachinskii, Vladimir A.; Kytin, Vladimir G.; Kudryashov, Alexey A.; Kuznetsov, Alexei N.; Shevelkov, Andrei V.

    2012-09-15

    The electronic structures were calculated for BiTeBr and BiTeI using the density-functional theory approach and accounting for the strong spin-orbital interaction. Qualitatively, the band structures for two compounds are similar, showing strong mixing of the p states of all elements in vicinity of the Fermi level, with the band gaps of 0.595 and 0.478 eV for BiTeBr and BiTeI, respectively. The optimized crystal structures show a tendency for the Bi-X (X=Br, I) bond elongation compared to the Bi-Te one. Both compounds are intrinsic n-type semiconductors but display a metallic-like conductivity coupled to rather large thermopower, which is rationalized within the frames of the acoustic phonons scattering model. Because of larger thermopower BiTeBr exhibits a twice higher thermoelectric figure-of-merit near room temperature, ZT=0.17, compared to BiTeI. The addition of 1 mass% of BiI{sub 3} or CuI to BiTeI decreases the mobility of electrons by two orders of magnitude, leading to significantly lower electrical conductivity, but at the same time effectively reduces the thermal conductivity. The prospects of further enhancing the thermoelectric efficiency are briefly discussed. - Graphical abstract: View of the crystal structure of BiTeBr is shown in the figure The optimized crystal structures show a tendency for the Bi-X (X=Br, I) bond elongation compared to the Bi-Te one. The electronic structures were calculated for BiTeBr and BiTeI using the density-functional theory approach and accounting for the strong spin-orbital interaction. Qualitatively, the band structures for two compounds are similar, showing strong mixing of the p states of all elements in vicinity of the Fermi level, with the band gaps of 0.595 and 0.478 eV for BiTeBr and BiTeI, respectively. Both compounds are intrinsic n-type semiconductors but display a metallic-like conductivity coupled to rather large thermopower, which is rationalized within the frames of the acoustic phonons scattering model. The

  19. Hanford Speakers Bureau<br>>Frequently Asked Questions - Hanford...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    of the topics covered by the Hanford Speakers Bureau? The presentation covers various strategies for cleaning up the 586 square miles Hanford Site. Speakers can provide an...

  20. Synthesis and structural characterization of different topological coordination polymers based on tunable Cu{sub 4}Br{sub 4-m}I{sub m} secondary building units and macrocyclic azacalixaromatics

    SciTech Connect

    Wang, Li-Xia; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang

    2010-12-15

    The coordination self-assembly between the macrocyclic ligand tetraazacalix[4]pyrimidine (TAPM) with cubane-like copper halides (Cu{sub 4}X{sub 4}) produced five coordination polymers 1-5 {l_brace}Cu{sub 4}Br{sub 4-m}I{sub m}(TAPM){r_brace}{sub n} (m=0 (1), 1 (2), 2 (3), 3 (4) and 4 (5)). X-ray single crystal analysis revealed that the Br:I ratio in the Cu{sub 4}X{sub 4} cores serves as a controlling factor to fine-tune the geometries of Cu{sub 4}X{sub 4} and therefore induce the conformation variation of tetraazacalix[4]pyrimidine. Consequently, two different topological nets, dia and lcs, were successfully constructed based on tetrahedrally coordinated Cu{sub 4}X{sub 4} secondary building units and the flexible macrocyclic quadridentate ligand TAPM. The structure details of 1-5 as porous materials are analyzed, which shows a solvent accessible volume within the range of 27-35%. Compounds 1-5 exhibit luminescence properties with the peak maximum at around 476-488 nm. -- Graphical Abstract: Five luminescent coordination polymers 1-5 were obtained via the reaction of tetrahedral Cu{sub 4}Br{sub 4-m}I{sub m} SBUs and a flexible macrocyclic ligand tetraazacalix[4] pyrimidine (TAPM), wherein the Br/I ratio serves as a controlling factor to fine-tune the geometries of Cu{sub 4}Br{sub 4-m}I{sub m} and induce the conformation variation of TAPM, thus constructing two different dia and lcs topological nets. Display Omitted Research highlights: > The ratio of Br/I in the Cu{sub 4}X{sub 4} cores fine-tunes the geometries of Cu{sub 4}X{sub 4}. > Variation of Cu{sub 4}X{sub 4} induces the conformation change of the ligand TAPM. > Two different coordination polymeric structures were successfully constructed. > The five coordination polymers show good luminescent properties.

  1. Improvement of {gamma}-ray energy resolution of LaBr{sub 3}:Ce{sup 3+} scintillation detectors by Sr{sup 2+} and Ca{sup 2+} co-doping

    SciTech Connect

    Alekhin, M. S.; Haas, J. T. M. de; Khodyuk, I. V.; Dorenbos, P.; Kraemer, K. W.; Menge, P. R.; Ouspenski, V.

    2013-04-22

    Commercially available LaBr{sub 3}:5% Ce{sup 3+} scintillators show with photomultiplier tube readout about 2.7% energy resolution for the detection of 662 keV {gamma}-rays. Here we will show that by co-doping LaBr{sub 3}:Ce{sup 3+} with Sr{sup 2+} or Ca{sup 2+} the resolution is improved to 2.0%. Such an improvement is attributed to a strong reduction of the scintillation light losses that are due to radiationless recombination of free electrons and holes during the earliest stages (1-10 ps) inside the high free charge carrier density parts of the ionization track.

  2. High field magnetotransport and point contact Andreev reflection measurements on CuCr{sub 2}Se{sub 4} and CuCr{sub 2}Se{sub 3}BrDegenerate magnetic semiconductor single crystals

    SciTech Connect

    Borisov, K. Coey, J. M. D.; Stamenov, P.; Alaria, J.

    2014-05-07

    Single crystals of the metallically degenerate fully magnetic semiconductors CuCr{sub 2}Se{sub 4} and CuCr{sub 2}Se{sub 3}Br have been prepared by the Chemical Vapour Transport method, using either Se or Br as transport agents. The high-quality, millimetre-sized, octahedrally faceted, needle- and platelet-shaped crystals are characterised by means of high field magnetotransport (?{sub 0}H? 14?T) and Point Contact Andreev Reflection. The relatively high spin polarisation observed |P|>0.56, together with the relatively low minority carrier effective mass of 0.25 m{sub e}, and long scattering time 10{sup ?13}?s, could poise these materials for integration in low- and close-to-room temperature minority injection bipolar heterojunction transistor demonstrations.

  3. Measurement of the B0(s) semileptonic branching ratio to an orbitally excited D**(s) state, Br(B0(s) ---> D-(s1)(2536) mu+ nu X)

    SciTech Connect

    Abazov, V.M.; Abbott, B.; Abolins, M.; Acharya, B.S.; Adams, M.; Adams, T.; Aguilo, E.; Ahn, S.H.; Ahsan, M.; Alexeev, G.D.; Alkhazov, G.; /Buenos Aires U. /Rio de Janeiro, CBPF /Rio de Janeiro State U. /ABC Federal U. /Sao Paulo, IFT /Alberta U. /Simon Fraser U. /York U., Canada /McGill U. /Hefei, CUST /Andes U., Bogota

    2007-12-01

    In a data sample of approximately 1.3 fb{sup -1} collected with the D0 detector between 2002 and 2006, the orbitally excited charm state D{sub s1}{sup {+-}}(2536) has been observed with a measured mass of 2535.7 {+-} 0.6(stat) {+-} 0.5(syst) MeV/c{sup 2} via the decay mode B{sub s}{sup 0} {yields} D{sub s1}{sup -}(2536){mu}{sup +} {nu}X. A first measurement is made of the branching ratio product Br({bar B} {yields} D{sub s1}{sup -}(2536){mu}{sup +}{nu}X) {center_dot} Br(D{sub s1}{sup -} {yields} D*{sup -} K{sub S}{sup 0}). Assuming that D{sub s1}{sup -}(2536) production in semileptonic decay is entirely from B{sub s}{sup 0}, an extraction of the semileptonic branching ratio Br(B{sub s}{sup 0} {yields} D{sub s1}{sup -}(2536){mu}{sup +}{nu}X) is made.

  4. Effects of Si/Al Ratio on Cu/SSZ-13 NH3-SCR Catalysts: Implications for the active Cu species and the Roles of Brønsted Acidity

    SciTech Connect

    Gao, Feng; Washton, Nancy M.; Wang, Yilin; Kollar, Marton; Szanyi, Janos; Peden, Charles HF

    2015-09-03

    Cu/SSZ-13 catalysts with three Si/Al ratios of 6, 12 and 35 were synthesized with Cu incorporation via solution ion exchange. The implications of varying Si/Al ratios on the nature of the multiple Cu species that can be present in the SSZ-13 zeolite are a major focus of this work, as highlighted by the results of a variety of catalyst characterization and reaction kinetics measurements. Specifically, catalysts were characterized with surface area/pore volume measurements, temperature programmed reduction by H2 (H2-TPR), NH3 temperature programmed desorption (NH3-TPD), and DRIFTS and solid-state nuclear magnetic resonance (NMR) spectroscopies. Catalytic properties were examined using NO oxidation, ammonia oxidation, and standard ammonia selective catalytic reduction (NH3-SCR) reactions on selected catalysts under differential conditions. Besides indicating possible variably active multiple Cu species for these reactions, the measurements are also used to untangle some of the complexities caused by the interplay between redox of Cu ion centers and Brønsted acidity. All three reactions appear to follow a redox reaction mechanism, yet the roles of Brønsted acidity are quite different. For NO oxidation, increasing Si/Al ratio lowers Cu redox barriers, thus enhancing reaction rates. Brønsted acidity appears to play essentially no role for this reaction. For standard NH3-SCR, residual Brønsted acidity plays a significant beneficial role at both low- and high-temperature regimes. For NH3 oxidation, no clear trend is observed suggesting both Cu ion center redox and Brønsted acidity play important and perhaps competing roles. The authors gratefully acknowledge the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office for the support of this work. The research described in this paper was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE’s Office of

  5. Optical absorption and luminescence spectroscopy of U{sup 3+} in K{sub 2}La{ital X}{sub 5} ({ital X}=Cl,Br,I)

    SciTech Connect

    Andres, H.P.; Kraemer, K.; Guedel, H.

    1996-08-01

    The title compounds were synthesized and high-resolution absorption and luminescence spectra measured in the near-infrared, VIS, and near UV regions. The visible absorption spectra are dominated by very intense 5{ital f}{r_arrow}6{ital d} bands overlapping with {ital f}-{ital f} transitions. The onset of the first {ital f}-{ital d} absorption is shifted from 46000 cm{sup {minus}1} in K{sub 2}LaCl{sub 5}:Nd{sup 3+} to 15000 cm{sup {minus}1} in K{sub 2}LaCl{sub 5}:U{sup 3+}. Crystal-field splittings in corresponding {sup 2{ital S}+1}{ital L}{sub {ital J}} multiplets are greater by typically a factor of 2 in the U{sup 3+} doped crystal, thus reflecting the larger extension and stronger interaction of the 5{ital f} electrons with the ligands. {ital f}-{ital f} transitions are typically two orders of magnitude more intense in K{sub 2}LaCl{sub 5}:U{sup 3+} than in K{sub 2}LaCl{sub 5}:Nd{sup 3+}. Along the halide series K{sub 2}La{ital X}{sub 5}:U{sup 3+} ({ital X}=Cl,Br,I) the differences in the position of corresponding {ital f}-{ital d} and {ital f}-{ital f} transitions, crystal-field splittings, vibronic intensities, and excited-state lifetimes can be explained with the increasing covalency, the decreasing phonon energies, the increasing electron-phonon coupling, and the increasing U-{ital X} distances. The {ital f}-{ital d} excited states provide a nonradiative bypass of some {ital f}-{ital f} excited states in the case of all these halide lattices. The excited-state dynamics are determined by a delicate interplay of radiative and nonradiative relaxation processes, they are strongly dependent on the nature of {ital X}. Multiphonon relaxation processes are least competitive in the iodide due to the very low value of 106 cm{sup {minus}1} for the highest-energy phonons. A cross-relaxation mechanism determines the dynamics of the iodide at room temperature. {copyright} {ital 1996 The American Physical Society.}

  6. Location of gap nodes in the organic superconductors {kappa}-(ET){sub 2}Cu(NCS){sub 2} and {kappa}-(ET){sub 2}Cu[N(CN){sub 2}Br determined by magnetocalorimetry.

    SciTech Connect

    Malone, L.; Taylor, O. J.; Schlueter, J. A.; Carrington, A.; Materials Science Division; Univ. Bristol

    2010-07-16

    We report specific-heat measurements of the organic superconductors {kappa}-(ET){sub 2}Cu(NCS){sub 2} and {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br. When the magnetic field is rotated in the highly conducting planes at low temperature (T = 0.4 K), we observe clear oscillations of specific heat which have a strong fourfold component. The observed strong field and temperature dependence of this fourfold component identifies it as originating from nodes in the superconducting energy gap which point along the in-plane crystal axes (d{sub xy} symmetry).

  7. Spectral indices measurements using miniature fission chambers at the MINERVE zero-power reactor at CEA using calibration data obtained at the BR1 reactor at SCK.CEN

    SciTech Connect

    De lanaute, N. Blanc; Mellier, F.; Lyoussi, A.; Domergue, C.; Di Salvo, J. [CEA, DEN, DER, SPEX, F-13108 St Paul Les Durance, (France); Borms, L.; Wagemans, J. [CEN SCK, Belgian Nucl Res Ctr, B-2400 Mol, (Belgium)

    2012-08-15

    Spectral indices measurements performed in 2004 at the CEA MINERVE facility loaded with the R-UO{sub 2} lattice, using calibration data acquired at the SCK center dot CEN BR1 facility in 2001, resulted in ambivalent conclusions. On one hand, spectral indices involving only fissile isotopes gave consistent discrepancies between calculation and experiment. On the other hand, spectral indices involving both fissile and fertile isotopes, in particular the {sup 238}U(n, f)/{sup 235}U(n, f) spectral index, showed inconsistent results depending on the type of calibration data used. For different reasons, no definitive explanation was given at that time. In 2009, the preparation of the AMMON program at the EOLE facility motivated the manufacturing of a new set of detectors. At the same time, the re-installation of the R1-UO{sub 2} lattice in MINERVE provided the opportunity to carry out again a spectral indices measurement campaign. Nevertheless, although the isotopic compositions of active deposits were better known than previously, the comparison between experimental results and calculations still lead to inconsistent discrepancies. In April 2010, a new calibration series conducted again at the BR1 facility allowed the CEA to reanalyze the spectral indices measurements performed in 2009. With these very latest calibration data, experimental values of spectral indices finally matched calculations within the uncertainty margins. This paper also sums up the work that has been achieved to explain the incoherencies observed in 2004. (authors)

  8. Effect of externally applied pressure on the magnetic behavior of Cu{sub 2}Te{sub 2}O{sub 5}(Br{sub x}Cl{sub 1-x}){sub 2}

    SciTech Connect

    Crowe, S. J.; Lees, M. R.; Paul, D. M. K.; Bewely, R. I.; Taylor, J.; McIntyre, G.; Zaharko, O.; Berger, H.

    2006-04-01

    The effect of externally applied pressure on the magnetic behavior of Cu{sub 2}Te{sub 2}O{sub 5}(Br{sub x}Cl{sub 1-x}){sub 2} with x=0, 0.73, and 1, is investigated by a combination of magnetic susceptibility, neutron diffraction, and neutron inelastic scattering measurements. The magnetic transition temperatures of the x=0 and 0.73 compositions are observed to increase linearly with increasing pressure at a rate of 0.23(2) and 0.04(1) K/kbar, respectively. However, the bromide shows contrasting behavior with a large suppression of the transition temperature under pressure, at a rate of -0.95(9) K/kbar. In neutron inelastic scattering measurements of Cu{sub 2}Te{sub 2}O{sub 5}Br{sub 2} under pressure only a small change to the ambient pressure magnetic excitations were observed. A peak in the density of states was seen to shift from {approx}5 meV in ambient pressure to {approx}6 meV under an applied pressure of 11.3 kbar, which was associated with an increase in the overall magnetic coupling strength.

  9. NOIJLVaiSINIWaV NOIlVlAldOdNI AOU3N3 Z661

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... and C101992WHB16:35 for the high oil price case. ... Forecast CONTROL0892. Energy Information Administration Short-Term Energy ... Growth in distillate fuel oil demand is ...

  10. Impact of ALD Coating on Li/Mn-rich Cathode Materials

    Energy.gov [DOE]

    2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting

  11. Cathodic ALD V2O5 thin films for high-rate electrochemical energy...

    Office of Scientific and Technical Information (OSTI)

    Country of Publication: United States Language: English Subject: bio-inspired, energy storage (including batteries and capacitors), defects, charge transport, synthesis (novel ...

  12. Solid-state synthesis, structure and properties of a novel open-framework cadmium selenite bromide: [Cd{sub 10}(SeO{sub 3}){sub 8}Br{sub 4}]·HBr·H{sub 2}O

    SciTech Connect

    Chen, Wen-Tong; Wang, Ming-Sheng; Wang, Guan-E; Chen, Hui-Fen; Guo, Guo-Cong

    2013-08-15

    A novel open-framework cadmium selenite bromide, [Cd{sub 10}(SeO{sub 3}){sub 8}Br{sub 4}]·HBr·H{sub 2}O (1), has been obtained by a solid-state reaction at 450 °C, and the structure has been determined by single-crystal X-ray diffraction analysis. Compound 1 crystallizes in Pbcm of the orthorhombic system: a=10.882(3), b=16.275(5), c=18.728(6) Å, V=3317(2) Å{sup 3}, R1/wR2=0.0411/0.0659. Compound 1 is characteristic of a novel 3-D open-framework structure, composing {sub ∞}{sup 2}[CdSeO{sub 3}] layers and the pillars of edge-shared CdO{sub 3}Br{sub 2} square pyramids. The lattice water molecules and the HBr molecules locate in the voids of the framework. Optical absorption spectrum of 1 reveals the presence of an optical gap of 1.65 eV. Solid-state photoluminescent study indicates that compound 1 exhibits strong violet emission. TG–DSC measurement shows that compound 1 is thermally stable up to 200 °C. - Graphical abstract: A metal selenite halide has been synthesized and features a 3-D open-framework structure, composing edge-shared CdO{sub 8} decahedra and pillars of edge-sharing pentahedra. UV–vis, TG–DSC and luminescent measurements are also reported. Highlights: • This paper reports a novel cadmium selenite bromide obtained by an intermediate-temperature solid-state reaction. • The title compound is characteristic of a novel 3-D open-framework structure, composing {sub ∞}{sup 2}[CdSeO{sub 3}] layers and the pillars of edge-shared CdO{sub 3}Br{sub 2} square pyramids. • The title compound is thermally stable up to 200 °C. • The title compound has an optical gap of 1.65 eV and exhibits strong violet emission.

  13. Design and testing of a unique active Compton-suppressed LaBr3(Ce) detector system for improved sensitivity assays of TRU in remote-handled TRU wastes

    SciTech Connect

    J. K. Hartwell; M. E. McIlwain; J. A. Kulisek

    2007-10-01

    The US Department of Energy’s transuranic (TRU) waste inventory includes about 4,500 m3 of remote-handled TRU (RH-TRU) wastes composed of a variety of containerized waste forms having a contact surface dose rate that exceeds 2 mSv/hr (200 mrem/hr) containing waste materials with a total TRU concentration greater than 3700 Bq/g (100 nCi/g). As part of a research project to investigate the use of active Compton-suppressed room-temperature gamma-ray detectors for direct non-destructive quantification of the TRU content of these RH-TRU wastes, we have designed and purchased a unique detector system using a LaBr3(Ce) primary detector and a NaI(Tl) suppression mantle. The LaBr3(Ce) primary detector is a cylindrical unit ~25 mm in diameter by 76 mm long viewed by a 38 mm diameter photomultiplier. The NaI(Tl) suppression mantle (secondary detector) is 175 mm by 175 mm with a center well that accommodates the primary detector. An important feature of this arrangement is the lack of any “can” between the primary and secondary detectors. These primary and secondary detectors are optically isolated by a thin layer (.003") of aluminized kapton, but the hermetic seal and thus the aluminum can surrounds the outer boundary of the detector system envelope. The hermetic seal at the primary detector PMT is at the PMT wall. This arrangement virtually eliminates the “dead” material between the primary and secondary detectors, a feature that preliminary modeling indicated would substantially improve the Compton suppression capability of this device. This paper presents both the expected performance of this unit determined from modeling with MCNPX, and the performance measured in our laboratory with radioactive sources.

  14. Mutual neutralization of atomic rare-gas cations (Ne{sup +}, Ar{sup +}, Kr{sup +}, Xe{sup +}) with atomic halide anions (Cl{sup −}, Br{sup −}, I{sup −})

    SciTech Connect

    Shuman, Nicholas S.; Miller, Thomas M.; Viggiano, Albert A.; Johnsen, Rainer

    2014-01-28

    We report thermal rate coefficients for 12 reactions of rare gas cations (Ne{sup +}, Ar{sup +}, Kr{sup +}, Xe{sup +}) with halide anions (Cl{sup −}, Br{sup −}, I{sup −}), comprising both mutual neutralization (MN) and transfer ionization. No rate coefficients have been previously reported for these reactions; however, the development of the Variable Electron and Neutral Density Attachment Mass Spectrometry technique makes it possible to measure the difference of the rate coefficients for pairs of parallel reactions in a Flowing Afterglow-Langmuir Probe apparatus. Measurements of 18 such combinations of competing reaction pairs yield an over-determined data set from which a consistent set of rate coefficients of the 12 MN reactions can be deduced. Unlike rate coefficients of MN reactions involving at least one polyatomic ion, which vary by at most a factor of ∼3, those of the atom-atom reactions vary by at least a factor 60 depending on the species. It is found that the rate coefficients involving light rare-gas ions are larger than those for the heavier rare-gas ions, but the opposite trend is observed in the progression from Cl{sup −} to I{sup −}. The largest rate coefficient is 6.5 × 10{sup −8} cm{sup 3} s{sup −1} for Ne{sup +} with I{sup −}. Rate coefficients for Ar{sup +}, Kr{sup +}, and Xe{sup +} reacting with Br{sub 2}{sup −} are also reported.

  15. Experimental and ab initio studies of the reactive processes in gas phase i-C{sub 3}H{sub 7}Br and i-C{sub 3}H{sub 7}OH collisions with potassium ions

    SciTech Connect

    Lpez, E.; Lucas, J. M.; Andrs, J. de; Albert, M.; Aguilar, A., E-mail: a.aguilar@ub.edu [Departament de Qumica Fsica, Institut de Qumica Terica i Computacional (IQTCUB), Universitat de Barcelona, Mart i Franqus, 1, 08028 Barcelona (Spain); Bofill, J. M. [Departament de Qumica Orgnica, Institut de Qumica Terica i Computacional (IQTCUB), Universitat de Barcelona, Mart i Franqus, 1, 08028 Barcelona (Spain); Bassi, D. [Dipartimento di Fisica, Universit degli Studi di Trento, 38123 Povo-Trento (Italy)

    2014-10-28

    Collisions between potassium ions and neutral i-C{sub 3}H{sub 7}Br and i-C{sub 3}H{sub 7}OH, all in their electronic ground state, have been studied in the 0.1010.00 eV center of mass (CM) collision energy range, using the radiofrequency-guided ion beam technique. In K{sup +} + i-C{sub 3}H{sub 7}Br collisions KHBr{sup +} formation was observed and quantified, while the analogous KH{sub 2}O{sup +} formation in K{sup +} + i-C{sub 3}H{sub 7}OH was hardly detected. Moreover, formation of the ion-molecule adducts and their decomposition leading to C{sub 3}H{sub 7}{sup +} and either KBr or KOH, respectively, have been observed. For all these processes, absolute cross-sections were measured as a function of the CM collision energy. Ab initio structure calculations at the MP2 level have given information about the potential energy surfaces (PESs) involved. In these, different stationary points have been characterized using the reaction coordinate method, their connectivity being ensured by using the intrinsic-reaction-coordinate method. From the measured excitation function for KHBr{sup +} formation the corresponding thermal rate constant at 303 K has been calculated. The topology of the calculated PESs allows an interpretation of the main features of the reaction dynamics of both systems, and in particular evidence the important role played by the potential energy wells in controlling the reactivity for the different reaction channels.

  16. Absolute NMR shielding scales and nuclear spin–rotation constants in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br and {sup 127}I)

    SciTech Connect

    Demissie, Taye B. Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth; Jaszuński, Michał

    2015-10-28

    We present nuclear spin–rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin–rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results for the unknown spin–rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin–rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin–rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides.

  17. Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening

    DOE PAGES [OSTI]

    Yang, Mengjin; Zhang, Taiyang; Schulz, Philip; Li, Zhen; Li, Ge; Kim, Dong Hoe; Guo, Nanjie; Berry, Joseph J.; Zhu, Kai; Zhao, Yixin

    2016-08-01

    Organometallic halide perovskite solar cells (PSCs) have shown great promise as a low-cost, high-efficiency photovoltaic technology. Structural and electro-optical properties of the perovskite absorber layer are most critical to device operation characteristics. Here we present a facile fabrication of high-efficiency PSCs based on compact, large-grain, pinhole-free CH3NH3PbI3-xBrx (MAPbI3-xBrx) thin films with high reproducibility. A simple methylammonium bromide (MABr) treatment via spin-coating with a proper MABr concentration converts MAPbI3 thin films with different initial film qualities (for example, grain size and pinholes) to high-quality MAPbI3-xBrx thin films following an Ostwald ripening process, which is strongly affected by MABr concentration and ismore » ineffective when replacing MABr with methylammonium iodide. A higher MABr concentration enhances I-Br anion exchange reaction, yielding poorer device performance. Lastly, this MABr-selective Ostwald ripening process improves cell efficiency but also enhances device stability and thus represents a simple, promising strategy for further improving PSC performance with higher reproducibility and reliability.« less

  18. Kinetic model of a space-based, Br(4 (2)P 1/2 {r_arrow} 4 (2)P 3/2) laser pumped by solar photolysis of IBr

    SciTech Connect

    Behnken, B.N.

    1999-03-01

    A kinetic model of the directly solar-pumped, atomic bromine laser -- operating on the Br (4 (2)P 1/2 {r_arrow} 4 (2)P 3/2) transition under IBr photolysis -- was developed, executed, and interpreted. In recognition of an evolving national interest in space-based laser development, the model presumed operation on a space station platform. Results indicate that a well-engineered IBr laser is capable of generating 1.2 kilowatts of continuous-wave (CW) power under a pumping concentration of 20,000 solar units. Such performance translates to an efficiency of roughly 0.29%, appreciably better than the 0.1% ascribed to the heretofore leading solar-pumped competitor. An extensive analysis of kinetic data suggests the unanticipated conclusion that, under proper parameter selection, sustained CW oscillation can be achieved absent any flow mechanism whatsoever. This result seems most strongly predicated upon proper bandpass discrimination: a 457--545 nm range of incidence produced optimal results. Sensitivity analysis revealed a strong degree of competition among the laser`s constituent processes; two-body quenching and exchange reactions were predominant. With the significant exception of iodine recombination, three-body processes were negligible. Thermal increases, as well as rapid growth of atomic iodine, appear to pose the greatest kinetic threat to CW lasing.

  19. Use of InSpector{sup TM} 1 1000 Instrument with LaBr{sub 3} for Nuclear Criticality Safety (NCS) Applications at the Westinghouse Hematite Decommissioning Project (HDP) - 13132

    SciTech Connect

    Pritchard, Megan; Guido, Joe

    2013-07-01

    The Westinghouse Hematite Decommissioning Project (HDP) is a former nuclear fuel cycle facility that is currently undergoing decommissioning. One aspect of the decommissioning scope is remediation of buried nuclear waste in unlined burial pits. The current Nuclear Criticality Safety program relies on application of criticality controls based on radiological setpoints from a 2 x 2 Sodium Iodide (NaI) detector. Because of the nature of the material buried (Low Enriched Uranium (LEU), depleted uranium, thorium, and radium) and the stringent threshold for application of criticality controls based on waste management (0.1 g {sup 235}U/L), a better method for {sup 235}U identification and quantification has been developed. This paper outlines the early stages of a quick, in-field nuclear material assay and {sup 235}U mass estimation process currently being deployed at HDP. Nuclear material initially classified such that NCS controls are necessary can be demonstrated not to require such controls and dispositioned as desired by project operations. Using Monte Carlo techniques and a high resolution Lanthanum Bromide (LaBr) detector with portable Multi-Channel Analyzer (MCA), a bounding {sup 235}U mass is assigned to basic geometries of nuclear material as it is excavated. The deployment of these methods and techniques has saved large amounts of time and money in the nuclear material remediation process. (authors)

  20. Effects of partial anion substitution on the thermoelectric properties of silver(I) chalcogenide halides in the system Ag{sub 5}Q{sub 2}X with Q=Te, Se and S and X=Br and Cl

    SciTech Connect

    Eckstein, Nadine; Nilges, Tom; Decourt, Rodolphe; Bobet, Jean-Louis; Chevalier, Bernard

    2011-04-15

    A selection of mixed conducting silver chalcogenide halides of the general formula Ag{sub 5}Q{sub 2}X with Q=sulfur, selenium and tellurium and X=chlorine and bromine has been investigated due to their thermoelectric properties. Recently, the ternary counterpart Ag{sub 5}Te{sub 2}Cl showed a defined d{sup 10}-d{sup 10} interaction in the disordered cation substructure at elevated temperatures where Ag{sub 5}Te{sub 2}Cl is present in its high temperature {alpha}-phase. A significant drop of the thermal diffusivity has been observed during the {beta}-{alpha} phase transition reducing the values from 0.12 close to 0.08 mm{sup 2} s{sup -1}. At the same transition the thermopower reacts on the increasing silver mobility and jumps towards less negative values. Thermal conductivities, thermopower and thermal diffusivity of selected compounds with various grades of anion substitution in Ag{sub 5}Q{sub 2}X were determined around the silver-order/disorder {beta}-{alpha} phase transition. A formation of attractive interactions could be observed for selenium substituted phases while no effect was detected for bromide and sulfide samples. Depending on the grade and type of substitution the thermopower changes significantly at and after the {beta}-{alpha} phase transition. Thermal conductivities are low reaching values around 0.2-0.3 W m{sup -1} K{sup -1} at 299 K. Partial anion exchange can substantially tune the thermoelectric properties in Ag{sub 5}Q{sub 2}X phases. -- Graphical abstract: A structure section of the {alpha}-Ag{sub 5}Te{sub 2}Cl structure type and the thermopower evolution of Ag{sub 5}Te{sub 2}Cl{sub 0.4}Br{sub 0.6} undergoing a silver ion order/disorder phase transition. Display Omitted Research highlights: > We report on thermoelectric properties of silver(I) chalcogenide halides. > We examine thermopower, thermal diffusivity and thermal behavior. > Silver mobility, phase transitions and order/disorder phenomena are discussed. > Partial anion exchange can

  1. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

    Energy Information Administration (EIA) (indexed site)

    BIG PINEY TIP TOP BIR D CANYON SWAN FONTEN ELL E LABARGE HOGSBACK CHIMNEY BUT TE BIG PINEY AREA TIP TOP UNI T LINCOLN ROAD BLU E FOREST DEER HILL FOGART Y CREEK GREEN RIVER BEND ...

  2. BR UFF BIG PINEY WILD ROSE BLU E GAP BR UFF UNIT WAMSUT TER

    Gasoline and Diesel Fuel Update

    CHIMNEY BUT TE BIG PINEY AREA TIP TOP UNI T LINCOLN ROAD BLU E FOREST DEER HILL FOGART Y ... TUR TLE HILL ZIEGLER S WASH BLAC K JACK LINCOLN ROAD ST ANDARD DRAW RATT LESN AKEWY AN ...

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    Annual Energy Outlook

    The boundaries are not informed by subsurface structural information. The data and methods ... BIG PINEY TIP TOP BIR D CANYON SWAN FONTEN ELL E LABARGE HOGSBACK CHIMNEY BUT TE BIG PINEY ...

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    Gasoline and Diesel Fuel Update

    (1) and Robert King (2) (1) Z, Inc., (2) Energy Information Administration BIG PINEY TIP ... BLU E FOREST SWAN DEER HILL FOGART Y CREEK GREEN RIVER BEND DRY PINEY SWAN S HOGSBACK AREA ...

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    Gasoline and Diesel Fuel Update

    (1) and Robert King (2) (1) Z, Inc., (2) Energy Information Administration BIG PINEY TIP ... LINCOLN ROAD BLU E FOREST DEER HILL FOGART Y CREEK GREEN RIVER BEND DRY PINEY SWAN S ...

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    Energy Information Administration (EIA) (indexed site)

    Office of Oil and Gas, Energy Information Administration pursuant to studies required by Section 604 of the Energy Policy and Conservation Act Amendments of 2000 (P.L. 106-469). ...

  7. Magnetic field, frequency and temperature dependence of complex conductance of ultrathin La1.65Sr0.45CuO4/La2CuO4 films and the organic superconductors κ-(BEDT-TTF)2Cu[N(CN)2]Br

    SciTech Connect

    V. A. Gasparov; Bozovic, I.; He, Xi; Dubuis, G.; Pavuna, D.; Kushch, N. D.; Yagubskii, E. B.; Schlueter, J. A.

    2015-09-01

    In this study, we used atomic-layer molecular beam epitaxy (ALL-MBE) to synthesize bilayer films of a cuprate metal (La1.65Sr0.45CuO4) and a cuprate insulator (La2CuO4), in which interface superconductivity occurs in a layer that is just one-half unit cell thick. We have studied the magnetic field and temperature dependence of the complex sheet conductance, σ(ω), of these films, and compared them to κκ-(BEDT-TTF)2Cu[N(CN)2]Br single crystals. The magnetic field H was applied both parallel and perpendicular to the 2D conducting layers. Experiments have been carried out at frequencies between 23 kHz and 50 MHz using either two-coil mutual inductance technique, or the LC resonators with spiral or rectangular coils. The real and the imaginary parts of the mutual-inductance M(T,ω) between the coil and the sample were measured and converted to complex conductivity. For H perpendicular to the conducting layers, we observed almost identical behavior in both films and κ-Br single crystals: (i) the transition onset in the inductive response, Lk–1(T) occurs at a temperature lower by 2 K than in Re σ(T), (ii) this shift is almost constant with magnetic field up to 8 T; (iii) the vortex diffusion constant D(T) is exponential due to pinning of vortex cores. These results can be described by the extended dynamic theory of the Berezinski–Kosterlitz–Thouless (BKT) transition and dynamics of bound vortex–antivortex pairs with short separation lengths.

  8. Magnetic field, frequency and temperature dependence of complex conductance of ultrathin La1.65Sr0.45CuO4/La2CuO4 films and the organic superconductors κ-(BEDT-TTF)2Cu[N(CN)2]Br

    DOE PAGES [OSTI]

    V. A. Gasparov; Bozovic, I.; He, Xi; Dubuis, G.; Pavuna, D.; Kushch, N. D.; Yagubskii, E. B.; Schlueter, J. A.

    2015-09-01

    In this study, we used atomic-layer molecular beam epitaxy (ALL-MBE) to synthesize bilayer films of a cuprate metal (La1.65Sr0.45CuO4) and a cuprate insulator (La2CuO4), in which interface superconductivity occurs in a layer that is just one-half unit cell thick. We have studied the magnetic field and temperature dependence of the complex sheet conductance, σ(ω), of these films, and compared them to κκ-(BEDT-TTF)2Cu[N(CN)2]Br single crystals. The magnetic field H was applied both parallel and perpendicular to the 2D conducting layers. Experiments have been carried out at frequencies between 23 kHz and 50 MHz using either two-coil mutual inductance technique, or themore » LC resonators with spiral or rectangular coils. The real and the imaginary parts of the mutual-inductance M(T,ω) between the coil and the sample were measured and converted to complex conductivity. For H perpendicular to the conducting layers, we observed almost identical behavior in both films and κ-Br single crystals: (i) the transition onset in the inductive response, Lk–1(T) occurs at a temperature lower by 2 K than in Re σ(T), (ii) this shift is almost constant with magnetic field up to 8 T; (iii) the vortex diffusion constant D(T) is exponential due to pinning of vortex cores. These results can be described by the extended dynamic theory of the Berezinski–Kosterlitz–Thouless (BKT) transition and dynamics of bound vortex–antivortex pairs with short separation lengths.« less

  9. Enhancement of Br ( B d → μ + μ - ) / Br ( B s → μ + μ - ) in supersymmetric unified models

    DOE PAGES [OSTI]

    Dutta, Bhaskar; Mimura, Yukihiro

    2015-05-14

    We explain the 2.3σ deviation in the recent measurements of the neutral B meson decays into muon pairs from the standard model prediction in the framework of supersymmetric grand unified models using antisymmetric coupling as a new source of flavor violation. We show a correlation between the Bd→μ⁺μ⁻ decay and the CP phase in the Bd→J/ψK decay and that their deviations from the standard model predictions can be explained after satisfying constraints arising from various hadronic and leptonic rare decay processes, B-B¯, K-K¯ oscillation data, and electric dipole moments of electron and neutron. The allowed parameter space is typically representedmore » by pseudoscalar Higgs mass mA≤1 TeV and tanβH(≡vu/vd)≲20 for squark and gluino masses around 2 TeV.« less

  10. Abraham Hot Springs Geothermal Area Northern Basin and Range...

    OpenEI (Open Energy Information) [EERE & EIA]

    br Brophy br Model br Moeck br Beardsmore br Type br Volume br Geothermal br Region Mean br Reservoir br Temp br Mean br Capacity Abraham Hot Springs Geothermal Area Northern Basin...

  11. Applied Materials | Argonne National Laboratory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Atomic layer deposition (ALD), plasma ALD, and sputtering techniques to synthesize and or coat membranes, thin films, and particles; Process design for scaling up mesostructured ...

  12. Improved Cycle Life and Stability of Lithium Metal Anodes through Ultrathin

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ALD Surface Treatments - Joint Center for Energy Storage Research September 11, 2015, Research Highlights Improved Cycle Life and Stability of Lithium Metal Anodes through Ultrathin ALD Surface Treatments Improved cycle life of Li metal anodes: control (black) vs. ALD (blue). Voltage in the upper graph represents overpotential in Li-Li symmetric cells and demonstrates how ALD can improve electrochemical lifetime. Micrographs show the improved resistance to dendrite growth after ALD

  13. Materials Data on KAl2Br7 (SG:14) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  14. Materials Data on KPb2Br5 (SG:14) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  15. Materials Data on K2(NbBr3)3 (SG:12) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  16. Method of increments for the halogen molecular crystals: Cl, Br, and I

    SciTech Connect

    Steenbergen, Krista G.; Gaston, Nicola; Müller, Carsten; Paulus, Beate

    2014-09-28

    Method of increments (MI) calculations reveal the n-body correlation contributions to binding in solid chlorine, bromine, and iodine. Secondary binding contributions as well as d-correlation energies are estimated and compared between each solid halogen. We illustrate that binding is entirely determined by two-body correlation effects, which account for >80% of the total correlation energy. One-body, three-body, and exchange contributions are repulsive. Using density-fitting (DF) local coupled-cluster singles, doubles, and perturbative triples for incremental calculations, we obtain excellent agreement with the experimental cohesive energies. MI results from DF local second-order Møller-Plesset perturbation (LMP2) yield considerably over-bound cohesive energies. Comparative calculations with density functional theory and periodic LMP2 method are also shown to be less accurate for the solid halogens.

  17. Materials Data on Cs2TeBr6 (SG:225) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-11-02

    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

  18. Materials Data on CuSe3Br (SG:53) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-11-02

    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

  19. Materials Data on Li10BrN3 (SG:187) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-11-02

    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

  20. Materials Data on Sr5P3BrO12 (SG:176) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-11-02

    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

  1. Materials Data on Cd(W3Br7)2 (SG:201) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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. Materials Data on CdBr2 (SG:186) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  3. Materials Data on Ta(TeBr3)2 (SG:2) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  4. Materials Data on Ta3(Se4Br3)2 (SG:2) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2015-03-19

    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

  5. Materials Data on Pd(SeBr3)2 (SG:2) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  6. Materials Data on Bi(TeBr2)2 (SG:2) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  7. Materials Data on Li6Br3N (SG:12) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  8. Materials Data on B5H6Br (SG:14) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  9. Materials Data on H4BrN (SG:215) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  10. Materials Data on CrBrO (SG:59) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  11. Materials Data on Cs2SbBr6 (SG:0) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  12. Materials Data on Pd(PbBr3)2 (SG:14) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  13. Materials Data on Tl3PdBr5 (SG:61) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  14. Oxidation/Reduction Reactions at the Metal Contact-TlBr Interface...

    Office of Scientific and Technical Information (OSTI)

    A paper copy of this document is also available for sale to the public from the National Technical Information Service, Springfield, VA at www.ntis.gov. Authors: Nelson, A J ; ...

  15. Materials Data on Y4OsBr4 (SG:15) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-11-02

    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

  16. Materials Data on Rb3Os2Br9 (SG:194) by Materials Project

    SciTech Connect

    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

  17. Materials Data on OsBr4 (SG:61) by Materials Project

    SciTech Connect

    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

  18. Materials Data on K2OsBr6 (SG:225) by Materials Project

    SciTech Connect

    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

  19. Materials Data on Rb3ZnBr5 (SG:62) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-07-09

    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

  20. Materials Data on LiBr (SG:225) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  1. Materials Data on RbBr (SG:221) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-11-02

    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. Materials Data on CsBr (SG:221) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-11-02

    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

  3. Materials Data on PH9C3Br3N (SG:14) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  4. Materials Data on PH4Br (SG:129) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  5. Materials Data on Th6CoBr15 (SG:229) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  6. Materials Data on ThBrN (SG:129) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  7. Palladium-catalyzed Br/D exchange of arenes: Selective deuterium...

    Office of Scientific and Technical Information (OSTI)

    Authors: Zhang, Honghai -Hai 1 ; Bonnesen, Peter V. 1 ; Hong, Kunlun 1 + Show Author Affiliations Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for ...

  8. Materials Data on Ga2PdBr8 (SG:12) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  9. Materials Data on Tb6Br7 (SG:12) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  10. Materials Data on Hg3(SeBr)2 (SG:12) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  11. Materials Data on Tb5Br8 (SG:12) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  12. Molecular dynamics simulations of Si etching in Cl- and Br-based...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Molecular dynamics simulations of Si etching in ... thickness, surface stoichiometry, and depth profile of surface products simulated for ...

  13. Materials Data on BeBr2 (SG:72) by Materials Project

    SciTech Connect

    Kristin Persson

    2014-07-09

    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

  14. Materials Data on La5(AlBr)4 (SG:140) by Materials Project

    DOE Data Explorer

    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

  15. Materials Data on IrBr3 (SG:12) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  16. RELAP5 Model Description and Validation for the BR2 Loss-of-Flow Experiments

    SciTech Connect

    Licht, J. R.; Dionne, B.; Van den Branden, G.; Sikik, E.; Koonen, E.

    2015-07-01

    This paper presents a description of the RELAP5 model, the calibration method used to obtain the minor loss coefficients from the available hydraulic data and the LOFA simulation results compared to the 1963 experimental tests for HEU fuel.

  17. Modeling carbon nanotube growth on the catalyst-substrate surface subjected to reactive plasma [<br>

    SciTech Connect

    Tewari, Aarti; Sharma, Suresh C.

    2014-06-15

    The paper presents a theoretical model to study the growth of the carbon nanotube (CNT) on the catalyst substrate surface subjected to reactive plasma. The charging rate of the CNT, kinetics of electron, ions and neutral atoms, the growth rate of the CNT because of diffusion and accretion of ions on the catalyst nanoparticle inclusion of the issue of the plasma sheath is undertaken in the present model. Numerical calculations on the effect of ion density and temperature and the substrate bias on the growth of the CNT have been carried out for typical glow discharge plasma parameters. It is found that the height of CNT increases with the ion density of carbon ions and radius of CNT decreases with hydrogen ion density. The substrate bias also affects the growth rate of the CNT. The field emission characteristics from the CNTs can be analyzed from the results obtained.

  18. Materials Data on PaBr4 (SG:141) by Materials Project

    DOE Data Explorer

    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

  19. Materials Data on PaBr5 (SG:14) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  20. Materials Data on S4(BrN)3 (SG:14) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  1. Materials Data on CuTe2Br (SG:14) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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. Materials Data on Tl2TeBr6 (SG:128) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  3. Materials Data on BiTeBr (SG:156) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  4. Tank Farm Closure & Waste Management Environmental Impact Statement <br>

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    (DOE/EIS-0391) - Hanford Site Statements Tank Closure & WM EIS Info Documents CERCLA Five-Year Review NEPA - Categorical Exclusions NEPA - Environmental Assessments NEPA - Environmental Impact Statements Environmental Management Performance Reports Tank Farm Closure & Waste Management Environmental Impact Statement (DOE/EIS-0391) Email Email Page | Print Print Page | Text Increase Font Size Decrease Font Size The U.S. Department of Energy (USDOE) has prepared a Final Environmental

  5. Materials Data on CuW3Br7 (SG:201) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  6. Materials Data on W3Br8 (SG:64) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2015-03-24

    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

  7. Materials Data on HgBrO3 (SG:15) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  8. Materials Data on CsHgBr3 (SG:221) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  9. Materials Data on Tl4HgBr6 (SG:128) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  10. Materials Data on Hg3(TeBr)2 (SG:199) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  11. Materials Data on BrO2F (SG:9) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  12. Materials Data on C(Se2Br)2 (SG:33) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  13. Photo Gallery

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    systems.<br>>br>>

  14. Photo Gallery

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ...><br>br>>

  15. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    IL (United States) Clinch River Breeder Reactor Project, Oak Ridge, TN (United States) ... substrates utilizing a rotating cylinder reactor to perform the S-ALD. S-ALD was first ...

  16. 2.3.1.11: Low-Energy Magnetic-Field Separation using Magnetic...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    (Brotzman) 23 May 2013 Abbreviations HC: hydrocarbon SN: superparamagnetic nanoparticles NP: nanoparticle NA: nanostructured adsorbent D: diameter (NP) ALD: ...

  17. Feasibility of a superhigh energy-density battery of the Li/BrF sub 3 electrochemical system. Technical report

    SciTech Connect

    Pyszczek, M.F.; Ebel, S.J.; Frysz, C.A.

    1989-01-01

    To date, design and construction of a material-handling and measurement system along with the apparatus required for waste material disposal has been completed. Preliminary corrosion screening of potential case materials is currently underway. A review of the literature, has led us to the use of Monel (trademark) 400 as the material of construction for the handling and measurement system. The inherent stability of this material with bromine trifluoride in its liquid state is crucial to ensure that contamination does not occur during storage and handling. For applications which require a flexible or transparent material, items fabricated from perfluoroalkyoxy polymers (Teflon) (trademark PFA) were utilized. One such application encountered was in the design of the graduated tank which allows visual inspection of the material prior to dispensing. Containers used for compatibility/corrosion testing were also constructed of PFA.

  18. Materials Data on SiP3H29C10BrN (SG:14) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  19. Materials Data on Na3Al3Si3AgBrO12 (SG:9) by Materials Project

    DOE Data Explorer

    Kristin Persson

    2014-11-02

    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

  20. Photo Gallery

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Credit: James Pryatel<br>>). <br>>

  1. Photo Gallery

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Credit: Gerardo Gutierrez<br>>br>>

  2. Photo Gallery

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Credit: James Pryatel. <br>>br>>

  3. Resistive switching characteristics of polycrystalline SrTiO{sub 3} films

    SciTech Connect

    Jong Choi, Hyung; Won Park, Suk; Deok Han, Gwon; Hyung Shim, Joon; Na, Junhong; Kim, Gyu-Tae

    2014-06-16

    Strontium titanate (STO) thin films 90?nm in thickness were grown on a Pt substrate through atomic layer deposition (ALD). The as-deposited ALD STO grown with an ALD cycle ratio of 1:1 (Sr:Ti) was in an amorphous phase, and annealing at 800?C in air crystallized the films into the perovskite phase. This phase change was confirmed by x-ray diffraction and transmission electron microscopy. The as-deposited ALD STO exhibited no discernible switching mechanism, whereas unipolar switching behavior was reproducibly observed with a high resistance ratio (10{sup 8}10{sup 9}) and strict separation of the set/reset voltages and currents in the annealed ALD STO. Mechanisms for charge transport in both the low- and high-resistance states and for resistive switching in the annealed ALD STO are also proposed.

  4. Timeline and Updates

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    1.5.2<br>cray-tpsl1.5.2<br>cray-trilinos11.12.1.5<br>craype2.5.0<br>craypkg-gen1.3.2<br>fftw3.3.4.6<br>iobuf2.0.6<br>papi5.4.1.3<br>parallel-netcdf...

  5. Alumina over-coating on Pd nanoparticle catalysts by atomic layer deposition : enhanced stability and reactivity.

    SciTech Connect

    Feng, H.; Lu, J.; Stair, P. C.; Elam, J. W.

    2011-04-01

    ALD Alumina was utilized as a protective layer to inhibit the sintering of supported nano-sized ALD Pd catalysts in the methanol decomposition reaction carried out at elevated temperatures. The protective ALD alumina layers were synthesized on Pd nanoparticles (1-2 nm) supported on high surface area alumina substrates. Up to a certain over-coat thickness, the alumina protective layers preserved or even slightly enhanced the catalytic activity and prevented sintering of the Pd nanoparticles up to 500 C.

  6. Sandia Energy - Carbon Capture & Storage

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Carbon Capture & Storage Home Carbon Capture High-Pressure and High-Temperature Neutron Reflectometry Cell for Solid-Fluid Interface Studies Atomic layer deposition (ALD) research...

  7. Synthesis of Pt-Pd Core-Shell Nanostructures by Atomic Layer...

    Office of Scientific and Technical Information (OSTI)

    and by applying ALD metal oxide coatings to modify the support surface chemistry. ... Resource Type: Journal Article Resource Relation: Journal Name: Chemistry of Materials; ...

  8. Institute for Atom-Efficient Chemical Transformations - Materials...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    of which are crucial for evaluating performance in the proverbial vacuum. Using atomic layer deposition (ALD), researchers can create highly specific nanobowls, controlling...

  9. Ruthenium / aerogel nanocomposits via Atomic Layer Deposition

    SciTech Connect

    Biener, J; Baumann, T F; Wang, Y; Nelson, E J; Kucheyev, S O; Hamza, A V; Kemell, M; Ritala, M; Leskela, M

    2006-08-28

    We present a general approach to prepare metal/aerogel nanocomposites via template directed atomic layer deposition (ALD). In particular, we used a Ru ALD process consisting of alternating exposures to bis(cyclopentadienyl)ruthenium (RuCp{sub 2}) and air at 350 C to deposit metallic Ru nanoparticles on the internal surfaces of carbon and silica aerogels. The process does not affect the morphology of the aerogel template and offers excellent control over metal loading by simply adjusting the number of ALD cycles. We also discuss the limitations of our ALD approach, and suggest ways to overcome these.

  10. News Item

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    with nanoscale materials. This talk will describe research on nanoscale materials for solar photovoltaics and solar fuel production. Atomic layer deposition (ALD) is used to...

  11. A non-destructive method for measuring the mechanical properties of ultrathin films prepared by atomic layer deposition

    SciTech Connect

    Zhang, Qinglin; Xiao, Xingcheng Verbrugge, Mark W.; Cheng, Yang-Tse

    2014-08-11

    The mechanical properties of ultrathin films synthesized by atomic layer deposition (ALD) are critical for the liability of their coated devices. However, it has been a challenge to reliably measure critical properties of ALD films due to the influence from the substrate. In this work, we use the laser acoustic wave (LAW) technique, a non-destructive method, to measure the elastic properties of ultrathin Al{sub 2}O{sub 3} films by ALD. The measured properties are consistent with previous work using other approaches. The LAW method can be easily applied to measure the mechanical properties of various ALD thin films for multiple applications.

  12. Diane Rodi | Argonne Leadership Computing Facility

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Diane Rodi ALD ESH/QA Coordinator Argonne National Laboratory 9700 S. Cass Avenue Building 240 - Rm. 4125 Argonne, IL 60439 630-252-1617 drodi

  13. Solid flexible electrochemical supercapacitor using Tobacco mosaic...

    Office of Scientific and Technical Information (OSTI)

    mosaic virus nanostructures and ALD ruthenium oxide Citation Details In-Document Search Title: Solid flexible electrochemical supercapacitor using Tobacco mosaic virus ...

  14. Picosun | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    We develop and manufacture Atomic Layer Deposition (ALD) reactors for micro- and nanotechnology applications. References: Picosun1 This article is a stub. You can help OpenEI...

  15. Evidence for penguin-diagram decays: First observation of [ital B][r arrow][ital K][sup *](892)[gamma

    SciTech Connect

    Ammar, R.; Ball, S.; Baringer, P.; Coppage, D.; Copty, N.; Davis, R.; Hancock, N.; Kelly, M.; Kwak, N.; Lam, H.; Kubota, Y.; Lattery, M.; Nelson, J.K.; Patton, S.; Perticone, D.; Poling, R.; Savinov, V.; Schrenk, S.; Wang, R.; Alam, M.S.; Kim, I.J.; Nemati, B.; O'Neill, J.J.; Severini, H.; Sun, C.R.; Zoeller, M.M.; Crawford, G.; Daubenmeir, M.; Fulton, R.; Fujino, D.; Gan, K.K.; Honscheid, K.; Kagan, H.; Kass, R.; Lee, J.; Malchow, R.; Morrow, F.; Skovpen, Y.; Sung, M.; White, C.; Whitmore, J.; Wilson, P.; Butler, F.; Fu, X.; Kalbfleisch, G.; Lambrecht, M.; Ross, W.R.; Skubic, P.; Snow, J.; Wang, P.L.; Wood, M.; Bortoletto, D.; Brown, D.N.; Fast, J.; McIlwain, R.L.; Miao, T.; Miller, D.H.; Modesitt, M.; Schaffner, S.F.; Shibata, E.I.; Shipsey, I.P.J.; Wang, P.N.; Battle, M.; Ernst, J.; Kroha, H.; Roberts, S.; Sparks, K.; Thorndike, E.H.; Wang, C.H.; Dominick, J.; Sanghera, S.; Skwarnicki, T.; Stroynowski, R.; Artuso, M.; He, D.; Goldberg, M.; Horwitz, N.; Kennett, R.; Moneti, G.C.; Muh

    1993-08-02

    We have observed the decays [ital B][sup 0][r arrow][ital K][sup *](892)[sup 0][gamma] and [ital B][sup [minus

  16. Development of a promising filtration method for liquid clarification in nuclear facilities. [For TMI-2 water, reprocessing dissolver solutions, ZnBr/sub 2/ shielding solutions

    SciTech Connect

    Collins, E.D.; Knauer, J.B.; Byrd, L.A.; Ross, R.G.; Savage, H.C.

    1982-01-01

    Conclusions reached are that deep beds of diatomaceous earths are especially attractive for clarification of radioactive solutions, or slurries containing insoluble radioactive material, because the diatomaceous material provides a noncompressible medium that is retentive for a wide variety of particle sizes. Also, the diatomaceous material, because of its inorganic composition, is resistant to degradation by radiation from the retained particulate matter. Its silicious character is especially appropriate for conversion to vitrified or cement-type waste forms. This paper studied the use of diatomaceous earth to filter synthetic TMI-2 water, reprocessing dissolver solutions, and zinc bromide solutions (hot-cell shielding).

  17. Feasibility of a superhigh energy-density battery of the Li/BrF sub 3 electrochemical system. Progress report, 15 October-15 December 1989

    SciTech Connect

    Pyszczek, M.F.; Ebel, S.J.; Frysz, C.A.

    1989-12-15

    The feasibility of developing a lithium/bromine trifluoride battery is being studied. Critical to this product development is materials selection. Consequently, efforts have been directed toward identifying candidate porous electrode separators, glasses for insulated electrical feed-throughs and metals for lid, case, and current-collector fabrication. Samples were evaluated via electrochemical testing techniques and one month storage in Teflon vials. Vial test results for metal samples did not vary significantly from those reported in technical report 0001AA. Of the separator samples tested, Raychem proves to be most promising. Further study is required regarding glass selection. Electrochemical testing is still in progress.

  18. Activation of farnesoid X receptor attenuates hepatic injury in a murine model of alcoholic liver disease

    SciTech Connect

    Wu, Weibin; Institutes of Biomedical Science, Fudan University, Shanghai 200032 ; Zhu, Bo; Peng, Xiaomin; Zhou, Meiling; Jia, Dongwei; Gu, Jianxin; Institutes of Biomedical Science, Fudan University, Shanghai 200032

    2014-01-03

    Highlights: FXR activity was impaired by chronic ethanol ingestion in a murine model of ALD. Activation of FXR attenuated alcohol-induced liver injury and steatosis. Activation of FXR attenuated cholestasis and oxidative stress in mouse liver. -- Abstract: Alcoholic liver disease (ALD) is a common cause of advanced liver disease, and considered as a major risk factor of morbidity and mortality worldwide. Hepatic cholestasis is a pathophysiological feature observed in all stages of ALD. The farnesoid X receptor (FXR) is a member of the nuclear hormone receptor superfamily, and plays an essential role in the regulation of bile acid, lipid and glucose homeostasis. However, the role of FXR in the pathogenesis and progression of ALD remains largely unknown. Mice were fed Lieber-DeCarli ethanol diet or an isocaloric control diet. We used a specific agonist of FXR WAY-362450 to study the effect of pharmacological activation of FXR in alcoholic liver disease. In this study, we demonstrated that FXR activity was impaired by chronic ethanol ingestion in a murine model of ALD. Activation of FXR by specific agonist WAY-362450 protected mice from the development of ALD. We also found that WAY-362450 treatment rescued FXR activity, suppressed ethanol-induced Cyp2e1 up-regulation and attenuated oxidative stress in liver. Our results highlight a key role of FXR in the modulation of ALD development, and propose specific FXR agonists for the treatment of ALD patients.

  19. Atomic Layer Deposition for the Conformal Coating of Nanoporous Materials

    DOE PAGES [OSTI]

    Elam, Jeffrey W.; Xiong, Guang; Han, Catherine Y.; Wang, H. Hau; Birrell, James P.; Welp, Ulrich; Hryn, John N.; Pellin, Michael J.; Baumann, Theodore F.; Poco, John F.; et al

    2006-01-01

    Amore » tomic layer deposition ( ALD ) is ideal for applying precise and conformal coatings over nanoporous materials. We have recently used ALD to coat two nanoporous solids: anodic aluminum oxide ( AAO ) and silica aerogels. AAO possesses hexagonally ordered pores with diameters d ∼ 40 nm and pore length L ∼ 70 microns. The AAO membranes were coated by ALD to fabricate catalytic membranes that demonstrate remarkable selectivity in the oxidative dehydrogenation of cyclohexane.dditional AAO membranes coated with ALD Pd films show promise as hydrogen sensors. Silica aerogels have the lowest density and highest surface area of any solid material. Consequently, these materials serve as an excellent substrate to fabricate novel catalytic materials and gas sensors by ALD .« less

  20. A modular reactor design for in situ synchrotron x-ray investigation of atomic layer deposition processes

    SciTech Connect

    Klug, Jeffrey A. Emery, Jonathan D.; Martinson, Alex B. F.; Proslier, Thomas; Weimer, Matthew S.; Yanguas-Gil, Angel; Elam, Jeffrey W.; Seifert, Sönke; Schlepütz, Christian M.; Hock, Adam S.

    2015-11-15

    Synchrotron characterization techniques provide some of the most powerful tools for the study of film structure and chemistry. The brilliance and tunability of the Advanced Photon Source allow access to scattering and spectroscopic techniques unavailable with in-house laboratory setups and provide the opportunity to probe various atomic layer deposition (ALD) processes in situ starting at the very first deposition cycle. Here, we present the design and implementation of a portable ALD instrument which possesses a modular reactor scheme that enables simple experimental switchover between various beamlines and characterization techniques. As first examples, we present in situ results for (1) X-ray surface scattering and reflectivity measurements of epitaxial ZnO ALD on sapphire, (2) grazing-incidence small angle scattering of MnO nucleation on silicon, and (3) grazing-incidence X-ray absorption spectroscopy of nucleation-regime Er{sub 2}O{sub 3} ALD on amorphous ALD alumina and single crystalline sapphire.

  1. A modular reactor design for in situ synchrotron X-ray investigation of atomic layer deposition processes

    SciTech Connect

    Klug, Jeffrey A.; Weimer, Matthew S.; Emery, Jonathan D.; Yanguas-Gil, Angel; Seifert, Sonke; Schleputz, Christian M.; Martinson, Alex B. F.; Elam, Jeffrey W.; Hock, Adam S.; Proslier, Thomas

    2015-11-01

    Synchrotron characterization techniques provide some of the most powerful tools for the study of film structure and chemistry. The brilliance and tunability of the Advanced Photon Source allow access to scattering and spectroscopic techniques unavailable with in-house laboratory setups and provide the opportunity to probe various atomic layer deposition (ALD) processes in situ starting at the very first deposition cycle. Here, we present the design and implementation of a portable ALD instrument which possesses a modular reactor scheme that enables simple experimental switchover between various beamlines and characterization techniques. As first examples, we present \\textit{in situ} results for 1.) X-ray surface scattering and reflectivity measurements of epitaxial ZnO ALD on sapphire, 2.) grazing-incidence small angle scattering of MnO nucleation on silicon, and 3.) grazing-incidence X-ray absorption spectroscopy of nucleation-regime Er2O3 ALD on amorphous ALD alumina and single crystalline sapphire.

  2. emergency preparedness

    National Nuclear Security Administration (NNSA)

    to provide assurances of an effective response:<br ><br >Structured TrainingDrills Program<br >A comprehensive, coordinated, and documented program of training...

  3. --No Title--

    Energy Information Administration (EIA) (indexed site)

    (M) release date: January 29, 2016 for November 2015 data<br>Next monthly release: End of February 2016 (December 2015 data)<br>><---Re...

  4. --No Title--

    Energy Information Administration (EIA) (indexed site)

    Release Date: January 28, 2016 for November 2015 data<br>Next Monthly Release: End of February 2016 for December 2015 data<br>><---b>Month...

  5. --No Title--

    Energy Information Administration (EIA) (indexed site)

    04, 2016<br>Next Release Date: February 18, 2016 <---<br>PJM West data for 2005-2012Re-released---><br>>

  6. Property:Incentive/Amt | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    19-211unit<br > LED or Induction HE Garage: 43-483unit<br > LED Traffic (Red, Yellow, Green): 19unit<br > LED Traffic (Pedestrian): 7unit<br > Occupancy...

  7. On the physical and chemical details of alumina atomic layer deposition: A combined experimental and numerical approach

    SciTech Connect

    Pan, Dongqing; Ma, Lulu; Xie, Yuanyuan; Yuan, Chris; Jen, Tien Chien

    2015-03-15

    Alumina thin film is typically studied as a model atomic layer deposition (ALD) process due to its high dielectric constant, high thermal stability, and good adhesion on various wafer surfaces. Despite extensive applications of alumina ALD in microelectronics industries, details on the physical and chemical processes are not yet well understood. ALD experiments are not able to shed adequate light on the detailed information regarding the transient ALD process. Most of current numerical approaches lack detailed surface reaction mechanisms, and their results are not well correlated with experimental observations. In this paper, the authors present a combined experimental and numerical study on the details of flow and surface reactions in alumina ALD using trimethylaluminum and water as precursors. Results obtained from experiments and simulations are compared and correlated. By experiments, growth rate on five samples under different deposition conditions is characterized. The deposition rate from numerical simulation agrees well with the experimental results. Details of precursor distributions in a full cycle of ALD are studied numerically to bridge between experimental observations and simulations. The 3D transient numerical model adopts surface reaction kinetics and mechanisms based on atomic-level studies to investigate the surface deposition process. Surface deposition is shown as a strictly self-limited process in our numerical studies. ALD is a complex strong-coupled fluid, thermal and chemical process, which is not only heavily dependent on the chemical kinetics and surface conditions but also on the flow and material distributions.

  8. Engineering the Mechanical Properties of Ultrabarrier Films Grown by Atomic Layer Deposition for the Encapsulation of Printed Electronics

    SciTech Connect

    Bulusu, Anuradha; Singh, Ankit K.; Wang, Cheng-Yin; Dindar, Amir; Fuentes-Hernandez, Canek; Kim, Hyungchul; Cullen, David A.; Kippelen, Bernard; Graham, Samuel

    2015-08-28

    Direct deposition of barrier films by atomic layer deposition (ALD) onto printed electronics presents a promising method for packaging devices. Films made by ALD have been shown to possess desired ultrabarrier properties, but face challenges when directly grown onto surfaces with varying composition and topography. Challenges include differing nucleation and growth rates across the surface, stress concentrations from topography and coefficient of thermal expansion (CTE) mismatch, elastic mismatch, and particle contamination that may impact the performance of the ALD barrier. In such cases, a polymer smoothing layer may be needed to coat the surface prior to ALD barrier film deposition. We present the impact of architecture on the performance of aluminum oxide (Al2O3)/hafnium oxide (HfO2) ALD nanolaminate barrier films deposited on fluorinated polymer layer using an optical calcium (Ca) test under damp heat. It is found that with increasing polymer thickness, the barrier films with residual tensile stress are prone to cracking resulting in rapid failure of the Ca sensor at 50{degree sign}C/85% RH. Inserting a SiNx layer with residual compressive stress between the polymer and ALD layers is found to prevent cracking over a range of polymer thicknesses with more than 95% of the Ca sensor remaining after 500 h of testing. These results suggest that controlling mechanical properties and film architecture play an important role in the performance of direct deposited ALD barriers.

  9. Engineering the mechanical properties of ultrabarrier films grown by atomic layer deposition for the encapsulation of printed electronics

    SciTech Connect

    Bulusu, A.; Singh, A.; Kim, H.; Wang, C. Y.; Dindar, A.; Fuentes-Hernandez, C.; Kippelen, B.; Cullen, D.; Graham, S.

    2015-08-28

    Direct deposition of barrier films by atomic layer deposition (ALD) onto printed electronics presents a promising method for packaging devices. Films made by ALD have been shown to possess desired ultrabarrier properties, but face challenges when directly grown onto surfaces with varying composition and topography. Challenges include differing nucleation and growth rates across the surface, stress concentrations from topography and coefficient of thermal expansion mismatch, elastic constant mismatch, and particle contamination that may impact the performance of the ALD barrier. In such cases, a polymer smoothing layer may be needed to coat the surface prior to ALD barrier film deposition. We present the impact of architecture on the performance of aluminum oxide (Al{sub 2}O{sub 3})/hafnium oxide (HfO{sub 2}) ALD nanolaminate barrier films deposited on fluorinated polymer layer using an optical calcium (Ca) test under damp heat. It is found that with increasing polymer thickness, the barrier films with residual tensile stress are prone to cracking resulting in rapid failure of the Ca sensor at 50 °C/85% relative humidity. Inserting a SiN{sub x} layer with residual compressive stress between the polymer and ALD layers is found to prevent cracking over a range of polymer thicknesses with more than 95% of the Ca sensor remaining after 500 h of testing. These results suggest that controlling mechanical properties and film architecture play an important role in the performance of direct deposited ALD barriers.

  10. Engineering the Mechanical Properties of Ultrabarrier Films Grown by Atomic Layer Deposition for the Encapsulation of Printed Electronics

    DOE PAGES [OSTI]

    Bulusu, Anuradha; Singh, Ankit K.; Wang, Cheng-Yin; Dindar, Amir; Fuentes-Hernandez, Canek; Kim, Hyungchul; Cullen, David A.; Kippelen, Bernard; Graham, Samuel

    2015-08-28

    Direct deposition of barrier films by atomic layer deposition (ALD) onto printed electronics presents a promising method for packaging devices. Films made by ALD have been shown to possess desired ultrabarrier properties, but face challenges when directly grown onto surfaces with varying composition and topography. Challenges include differing nucleation and growth rates across the surface, stress concentrations from topography and coefficient of thermal expansion (CTE) mismatch, elastic mismatch, and particle contamination that may impact the performance of the ALD barrier. In such cases, a polymer smoothing layer may be needed to coat the surface prior to ALD barrier film deposition.more » We present the impact of architecture on the performance of aluminum oxide (Al2O3)/hafnium oxide (HfO2) ALD nanolaminate barrier films deposited on fluorinated polymer layer using an optical calcium (Ca) test under damp heat. It is found that with increasing polymer thickness, the barrier films with residual tensile stress are prone to cracking resulting in rapid failure of the Ca sensor at 50{degree sign}C/85% RH. Inserting a SiNx layer with residual compressive stress between the polymer and ALD layers is found to prevent cracking over a range of polymer thicknesses with more than 95% of the Ca sensor remaining after 500 h of testing. These results suggest that controlling mechanical properties and film architecture play an important role in the performance of direct deposited ALD barriers.« less

  11. Palladium catalysts synthesized by atomic layer deposition for methanol decomposition.

    SciTech Connect

    Elam, J. W.; Feng, H.; Stair, P. C.; Libera, J. A.; Setthapun, W.; Northwestern Univ.

    2010-05-25

    Atomic layer deposition (ALD) palladium films were deposited at 200 C on various ALD metal oxide surfaces using sequential exposures to Pd(II) hexafluoroacetylacetonate (Pd(hfac)2) and formalin. In situ quartz crystal microbalance measurements as well as ex situ measurements performed on planar substrates revealed that the Pd growth begins with a relatively slow nucleation process and accelerates once an adequate amount of Pd has deposited on the surface. Furthermore, the Pd nucleation is faster on ALD ZnO surfaces compared to ALD Al2O3 surfaces. ALD was utilized to synthesize highly dispersed, uniform Pd nanoparticles (1 to 2 nm in diameter) on ALD ZnO and Al2O3 coated mesoporous silica gel, and the catalytic performances of these samples were compared in the methanol decomposition reaction. The ALD Pd-Al2O3 showed high activity and hydrogen selectivity at relatively low temperatures while the ALD Pd-ZnO showed very low activity as well as quick deactivation. In situ extended X-ray absorption fine structure (EXAFS) measurement revealed that the Pd supported on ZnO 'dissolves' into the substrate during the methanol decomposition reaction which accounts for the gradual disappearance of its catalytic activity. By applying one cycle of ALD Al2O3 on top of the Pd-ZnO catalyst, the activity was enhanced and the catalyst deactivation was mitigated. This Al2O3 overcoating method stabilizes the Pd-ZnO and effectively prevents the dissolution of Pd into the ZnO substrate.

  12. In situ study of atomic layer deposition Al{sub 2}O{sub 3} on GaP (100)

    SciTech Connect

    Dong, H.; Brennan, B.; Qin, X.; Hinkle, C. L.; Kim, J.; Wallace, R. M.; Zhernokletov, D. M.

    2013-09-16

    The interfacial chemistry of atomic layer deposition (ALD) of Al{sub 2}O{sub 3} on chemically treated GaP (100) has been studied using in situ X-ray photoelectron spectroscopy. A “self-cleaning” effect for Ga-oxide upon exposure to trimethylaluminum is seen to be efficient on the native oxide and chemically treated surfaces. The phosphorus oxide chemical states are seen to change during the ALD process, but the total concentration of P-oxides is seen to remain constant throughout the ALD process.

  13. Atomic Layer Deposition of L-Alanine Polypeptide

    DOE PAGES [OSTI]

    Fu, Yaqin; Li, Binsong; Jiang, Ying-Bing; Dunphy, Darren R.; Tsai, Andy; Tam, Siu-Yue; Fan, Hongyou Y.; Zhang, Hongxia; Rogers, David; Rempe, Susan; et al

    2014-10-30

    L-Alanine polypeptide thin films were synthesized via atomic layer deposition (ALD). Rather, instead of using an amino acid monomer as the precursor, an L-alanine amino acid derivatized with a protecting group was used to prevent self-polymerization, increase the vapor pressure, and allow linear cycle-by-cycle growth emblematic of ALD. Moreover, the successful deposition of a conformal polypeptide film has been confirmed by FTIR, TEM, and Mass Spectrometry, and the ALD process has been extended to polyvaline.

  14. Characterization of CZTSSe photovoltaic device with an atomic layer-deposited passivation layer

    SciTech Connect

    Wu, Wei Cao, Yanyan; Caspar, Jonathan V.; Guo, Qijie; Johnson, Lynda K.; Mclean, Robert S.; Malajovich, Irina; Choudhury, Kaushik Roy

    2014-07-28

    We describe a CZTSSe (Cu{sub 2}ZnSn(S{sub 1−x},Se{sub x}){sub 4}) photovoltaic (PV) device with an ALD (atomic layer deposition) coated buffer dielectric layer for CZTSSe surface passivation. An ALD buffer layer, such as TiO{sub 2}, can be applied in order to reduce the interface recombination and improve the device's open-circuit voltage. Detailed characterization data including current-voltage, admittance spectroscopy, and capacitance profiling are presented in order to compare the performance of PV devices with and without the ALD layer.

  15. Surface smoothing effect of an amorphous thin film deposited by atomic layer deposition on a surface with nano-sized roughness

    SciTech Connect

    Lau, W. S. Wan, X.; Xu, Y.; Wong, H.; Zhang, J.; Luo, J. K.; Institute of Renewable Energy and Environment Technology, Bolton University, Deane Road, Bolton BL3 5 AB

    2014-02-15

    Previously, Lau (one of the authors) pointed out that the deposition of an amorphous thin film by atomic layer deposition (ALD) on a substrate with nano-sized roughness probably has a surface smoothing effect. In this letter, polycrystalline zinc oxide deposited by ALD onto a smooth substrate was used as a substrate with nano-sized roughness. Atomic force microscopy (AFM) and cross-sectional transmission electron microscopy (XTEM) were used to demonstrate that an amorphous aluminum oxide thin film deposited by ALD can reduce the surface roughness of a polycrystalline zinc oxide coated substrate.

  16. Enhanced Dry Reforming of Methane on Ni and Ni-Pt Catalysts Synthesized by Atomic Layer Deposition

    SciTech Connect

    Gould, Troy D.; Montemore, Matthew M.; Lubers, Alia M.; Ellis, Lucas D.; Weimer, Alan; Falconer, John L.; Medlin, James W.

    2015-02-25

    Atomic layer deposition (ALD) was used to deposit Ni and Pt on alumina supports to form monometallic and bimetallic catalysts with initial particle sizes of 12.4 nm. The ALD catalysts were more active (per mass of metal) than catalysts prepared by incipient wetness (IW) for dry reforming of methane (DRM), and they did not form carbon whiskers during reaction due to their sufficiently small size. Catalysts modified by Pt ALD had higher rates of reaction per mass of metal and inhibited coking, whereas NiPt catalysts synthesized by IW still formed carbon whiskers. Temperature-programmed reduction of Ni catalysts modified by Pt ALD indicated the presence of bimetallic interaction. Density functional theory calculations suggested that under reaction conditions, the NiPt surfaces form Ni-terminated surfaces that are associated with higher DRM rates (due to their C and O adsorption energies, as well as the CO formation and CH4 dissociation energies).

  17. Research | Argonne National Laboratory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Argonne in the marketplace: Microchannel plates with ALD Pixelligent Technologies granted innovation research award by Dept. of Energy ARPA-E awards IIT-Argonne team 3.4 million ...

  18. In situ study of HfO{sub 2} atomic layer deposition on InP(100)

    SciTech Connect

    Dong, H.; Brennan, B.; Kim, J.; Hinkle, C. L.; Wallace, R. M.; Zhernokletov, D.

    2013-04-29

    The interfacial chemistry of the native oxide and chemically treated InP samples during atomic layer deposition (ALD) HfO{sub 2} growth at 250 Degree-Sign C has been studied by in situ X-ray photoelectron spectroscopy. The In-oxide concentration is seen to gradually decrease on the native oxide and acid etched samples. No significant changes of the P-oxide concentrations are detected, while the P-oxides chemical states are seen to change gradually during the initial cycles of ALD on the native oxide and the chemically treated samples. (NH{sub 4}){sub 2}S treatment strongly decreases In-oxide and P-oxide concentrations prior to ALD and maintains low concentrations during the ALD process.

  19. Vanadium dioxide film protected with an atomic-layer-deposited...

    Office of Scientific and Technical Information (OSTI)

    In this work, the authors deposited an ultrathin Alsub 2Osub 3 film with atomic layer ... heated at 350 C. However, in a humid environment at prolonged durations, a thicker ALD ...

  20. Atomic layer deposition of aluminum sulfide thin films using trimethylaluminum and hydrogen sulfide

    SciTech Connect

    Sinha, Soumyadeep; Sarkar, Shaibal K.; Mahuli, Neha

    2015-01-15

    Sequential exposures of trimethylaluminum and hydrogen sulfide are used to deposit aluminum sulfide thin films by atomic layer deposition (ALD) in the temperature ranging from 100 to 200?C. Growth rate of 1.3 per ALD cycle is achieved by in-situ quartz crystal microbalance measurements. It is found that the growth rate per ALD cycle is highly dependent on the purging time between the two precursors. Increased purge time results in higher growth rate. Surface limited chemistry during each ALD half cycle is studied by in-situ Fourier transformed infrared vibration spectroscopy. Time of flight secondary ion-mass spectroscopy measurement is used to confirm elemental composition of the deposited films.

  1. Controlled Phase and Tunable Magnetism in Ordered Iron Oxide...

    Office of Scientific and Technical Information (OSTI)

    Finally, the ALD deposition of iron oxide with well-controlled phase and tunable magnetism demonstrated in this work provides a promising opportunity for the fabrication of 3D nano...

  2. Reactor concepts for atomic layer deposition on agitated particles: A review

    SciTech Connect

    Longrie, Delphine Deduytsche, Davy; Detavernier, Christophe

    2014-01-15

    The number of possible applications for nanoparticles has strongly increased in the last decade. For many applications, nanoparticles with different surface and bulk properties are necessary. A popular surface modification technique is coating the particle surface with a nanometer thick layer. Atomic layer deposition (ALD) is known as a reliable method for depositing ultrathin and conformal coatings. In this article, agitation or fluidization of the particles is necessary for performing ALD on (nano)particles. The principles of gas fluidization of particles will be outlined, and a classification of the gas fluidization behavior of particles based on their size and density will be given. Following different reactor concepts that have been designed to conformally coat (nano)particles with ALD will be described, and a concise overview will be presented of the work that has been performed with each of them ending with a concept reactor for performing spatial ALD on fluidized particles.

  3. 2014 EFRC NEES KICKOFF MEETING AGENDA

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    4:30pm LAB TOURS RUBLOFF ALD LAB, NISP LAB BY CUMINGS, GHODSSI MSAL BY KOSTAS (MSAL, MEMS SENSORS & ACTUATORS LAB) 5:30pm 7 O'CLOCK DINNER RESERVATION @ AGORA, DUPONT CIRCLE,...

  4. Atomic-Layer Deposition on Noble Metal Powders

    Office of Scientific and Technical Information (OSTI)

    J. Cappillino, M. Salloum, J. D. Sugar, F. El Gabaly (Sandia) L. Sheridan, K. ... Georgia Maher Salloum Theorymodeling Farid El Gabaly XPS Leah Sheridan E-ALD films Now at ...

  5. jz6b00393 1..6

    Office of Scientific and Technical Information (OSTI)

    ... The 24-shell cluster corresponds to a sphere with a radius of 10 A The experimental stoichiometric ALD BTO is shown at the top as a reference. ------0 2p ------0 2p Ti rich ------0 ...

  6. Instrumentation & Devices | Argonne National Laboratory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Instrumentation & Devices Argonne works with existing and start-up businesses to license our technologies and to develop, analyze, and test new technologies. Please contact partners@anl.gov to explore how you and Argonne can work together. ALD Reactor for Coating Porous Substrates Improved ALD reactor for coating substrates, particularly porous substrates having an aspect ratio, defined as pore length divided by pore diameter, of greater than about 10-1000, and a high surface area by virtue

  7. Customized Nanoengineered Coatings for Science and Industry | Argonne

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    National Laboratory Customized Nanoengineered Coatings for Science and Industry Nanoengineered coatings have diverse applications in the manufacture of microelectronics, optics, sensors and solid-state detectors, to name a few. Of the many techniques for producing manoengineered coatings, atomic layer deposition, or ALD, offers superlative performance. Argonne's advanced ALD materials capabilities and intellectual property are available to scientific firms and industry. PDF icon

  8. Innovation Meets Performance Demands of Advanced Lithium-ion Batteries (Fact Sheet), Highlights in Research & Development, NREL (National Renewable Energy Laboratory)

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Advancements in high capacity and high density battery technologies have led to a growing need for battery materials with greater charge capacity and therefore stability. NREL's developments in ALD and MLD allow for thin film coatings to battery composite electrodes, which can improve battery lifespan, high charge capacity, and stability. Key Result Silicon, one of the best high-energy anode materials for Li-ion batteries, can experience capacity fade from volumetric expansion. Using ALD and MLD

  9. Local deposition of high-purity Pt nanostructures by combining electron beam induced deposition and atomic layer deposition

    SciTech Connect

    Mackus, A. J. M.; Sanden, M. C. M. van de; Kessels, W. M. M.; Mulders, J. J. L.

    2010-06-15

    An approach for direct-write fabrication of high-purity platinum nanostructures has been developed by combining nanoscale lateral patterning by electron beam induced deposition (EBID) with area-selective deposition of high quality material by atomic layer deposition (ALD). Because virtually pure, polycrystalline Pt nanostructures are obtained, the method extends the application possibilities of EBID, whereas compared to other area-selective ALD approaches, a much higher resolution is attainable; potentially down to sub-10 nm lateral dimensions.

  10. Integrating atomic layer deposition and ultra-high vacuum physical vapor deposition for in situ fabrication of tunnel junctions

    SciTech Connect

    Elliot, Alan J. E-mail: jwu@ku.edu; Malek, Gary A.; Lu, Rongtao; Han, Siyuan; Wu, Judy Z. E-mail: jwu@ku.edu; Yu, Haifeng; Zhao, Shiping

    2014-07-15

    Atomic Layer Deposition (ALD) is a promising technique for growing ultrathin, pristine dielectrics on metal substrates, which is essential to many electronic devices. Tunnel junctions are an excellent example which require a leak-free, ultrathin dielectric tunnel barrier of typical thickness around 1 nm between two metal electrodes. A challenge in the development of ultrathin dielectric tunnel barriers using ALD is controlling the nucleation of dielectrics on metals with minimal formation of native oxides at the metal surface for high-quality interfaces between the tunnel barrier and metal electrodes. This poses a critical need for integrating ALD with ultra-high vacuum (UHV) physical vapor deposition. In order to address these challenges, a viscous-flow ALD chamber was designed and interfaced to an UHV magnetron sputtering chamber via a load lock. A sample transportation system was implemented for in situ sample transfer between the ALD, load lock, and sputtering chambers. Using this integrated ALD-UHV sputtering system, superconductor-insulator-superconductor (SIS) Nb-Al/Al{sub 2}O{sub 2}/Nb Josephson tunnel junctions were fabricated with tunnel barriers of thickness varied from sub-nm to ?1 nm. The suitability of using an Al wetting layer for initiation of the ALD Al{sub 2}O{sub 3} tunnel barrier was investigated with ellipsometry, atomic force microscopy, and electrical transport measurements. With optimized processing conditions, leak-free SIS tunnel junctions were obtained, demonstrating the viability of this integrated ALD-UHV sputtering system for the fabrication of tunnel junctions and devices comprised of metal-dielectric-metal multilayers.

  11. Thermal and plasma enhanced atomic layer deposition of TiO{sub 2}: Comparison of spectroscopic and electric properties

    SciTech Connect

    Das, Chittaranjan Henkel, Karsten; Tallarida, Massimo; Schmeißer, Dieter; Gargouri, Hassan; Kärkkänen, Irina; Schneidewind, Jessica; Gruska, Bernd; Arens, Michael

    2015-01-15

    Titanium oxide (TiO{sub 2}) deposited by atomic layer deposition (ALD) is used as a protective layer in photocatalytic water splitting system as well as a dielectric in resistive memory switching. The way ALD is performed (thermally or plasma-assisted) may change the growth rate as well as the electronic properties of the deposited films. In the present work, the authors verify the influence of the ALD mode on functional parameters, by comparing the growth rate and electronic properties of TiO{sub 2} films deposited by thermal (T-) and plasma-enhanced (PE-) ALD. The authors complete the study with the electrical characterization of selected samples by means of capacitance–voltage and current–voltage measurements. In all samples, the authors found a significant presence of Ti{sup 3+} states, with the lowest content in the PE-ALD grown TiO{sub 2} films. The observation of Ti{sup 3+} states was accompanied by the presence of in-gap states above the valence band maximum. For films thinner than 10 nm, the authors found also a strong leakage current. Also in this case, the PE-ALD films showed the weakest leakage currents, showing a correlation between the presence of Ti{sup 3+} states and leakage current density.

  12. Measurement of sigma p anti-p --> Z . Br (Z --> 2tau) in p anti-p collisions at s**(1/2) = 1.96 TeV

    SciTech Connect

    Abulencia, A.

    2007-02-01

    We present a measurement of the inclusive production cross-section for Z bosons decaying to tau leptons in p{bar p} collisions at {radical}s = 1.96 TeV. We use a channel with one hadronically-decaying and one electronically-decaying tau. This measurement is based on 350 pb{sup -1} of CDF Run II data. Using a sample of 504 opposite sign e{tau} events with a total expected background of 190 events, we obtain {sigma}(p{bar p} {yields} Z) {center_dot} {Beta}(Z {yields} {tau}{tau}) = 263 {+-} 23(stat) {+-} 14(syst) {+-} 15(lumi) pb, in agreement with the next-to-next-to-leading order QCD prediction. This is the first CDF cross section measurement using hadronically-decaying taus in Run II.

  13. Controlling Atomic Layer Deposition of TiO2 in Aerogels through Surface Functionalization

    SciTech Connect

    Ghosal, S; Baumann, T F; King, J S; Kucheyev, S; Wang, Y; Worsley, M A; Biener, J; Bent, S F; Hamza, A V

    2009-03-09

    This report demonstrates a chemical functionalization method for controlling atomic layer deposition (ALD) of TiO{sub 2} in low-density nanoporous materials. Functionalization of silica aerogel with trimethylsilane is shown to strongly suppress TiO{sub 2} growth via ALD. Subsequent modification of the functionalization through selective removal of the hydrocarbon groups reactivates the aerogel towards TiO{sub 2} deposition. These results demonstrate the potential use of ALD as a selective tool for creating novel nanoporous materials. Nanoporous materials present significant technological advantage for a wide range of applications, including catalysis, energy storage and conversion, nanoelectronics to name just a few (1-4). Hence, there is considerable interest in developing synthetic pathways for the fabrication of nanoporous materials with tailored properties. Aerogels (AGs) are unique low-density, open-cell porous materials consisting of submicrometer pores and ligaments that can be used as a robust material platform for designing novel nanoporous materials. In recent years, a synthetic approach based on ALD on AG templates has emerged as a promising method for the directed growth of nanoporous materials (5-11, 18). This approach has been used successfully to prepare millimeter-sized high aspect ratio aerogels coated uniformly with zinc oxide (ZnO), tungsten (W) and alumina (Al{sub 2}O{sub 3}) (10, 11). The ALD process utilizes two sequential, self-limiting surface reactions resulting in a layer-by-layer growth mode. The self limiting nature of the surface reactions makes ALD a particularly suitable technique for uniform deposition onto high aspect ratio porous substrates. Additionally, chemical specificity of the surface reactions in ALD enables one to control the deposition process through selective functionalization of the substrate surface. In fact the functionalization of planar substrates such as silicon wafers with organosilane groups (R{sub n}SiX{sub 4-n

  14. Transition metal chemistry of main group hydrazides. 16. (Phosphanyl)hydrazines R{sub 2}PN(Me)N(Me)PR{sub 2} as a novel class of chelating bis(phosphines). Synthesis, coordination chemistry, and X-ray structures of cis-[PdCl{sub 2}[(p-BrC{sub 6}H{sub 4}O){sub 2}PN-(Me)N(Me)P(OC{sub 6}H{sub 4}Br-p){sub 2}

    SciTech Connect

    Reedy, V.S.; Katti, K.V.; Barnes, C.L.

    1995-10-25

    The alkoxy- and aryloxy-functionalized bis(phosphanyl)hydrazines of the type (OR){sub 2}PN(Me)N(Me)P(OR){sub 2} were obtained from the reactions of the corresponding alcohols and phenols with Cl{sub 2}PN(Me)N(Me)PCl{sub 2} in the presence of Et{sub 3}N. Interaction of these ligands with group 6 metal carbonyl precursors M(CO){sub 4}(NHC{sub 5}H{sub 10}){sub 2}(M=Mo, W) gave the tetracarbonyl complexes of the type cis-[M(CO){sub 4}(OR){sub 2}PN(Me)N(Me)P(OR){sub 2}]. The reactions of the alkoxy and aryloxy-functionalized bis(phosphanyl)hydrazines with Pd(PhCN){sub 2}(Cl){sub 2} or with Pt(COD)Cl{sub 2} resulted in the formation of the complexes of the type cis[MCl{sub 2}(OR){sub 2}PN(Me)N(Me)P(OR){sub 2}]. The ligands are bound cis to the metal center(s) in all the complexes. The structures of all the complexes have been established by combination of spectroscopic and elemental analysis. As representative examples, the authors have determined the structures of cis-[W(CO){sub 4}[(OPh){sub 2}PN(Me)N(Me)P(OPh){sub 2}

  15. Photo Gallery

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    2015july"> "Target Fabrication Steps Up to the Challenge"). Credit: James Pryatel<br>>

  16. acquisition management

    National Nuclear Security Administration (NNSA)

    the science, technology, and engineering base; and,

  17. Continue NNSA management reforms.
  1. emergency recovery

    National Nuclear Security Administration (NNSA)

    basis.<br ><br >Recovery includes the evaluation of the incident to identify lessons learned and development of initiatives to mitigate the effects of future...

  2. Understanding the Structure of High-K Gate Oxides - Oral Presentation

    SciTech Connect

    Miranda, Andre

    2015-08-25

    Hafnium Oxide (HfO2) amorphous thin films are being used as gate oxides in transistors because of their high dielectric constant (κ) over Silicon Dioxide. The present study looks to find the atomic structure of HfO2 thin films which hasn’t been done with the technique of this study. In this study, two HfO2 samples were studied. One sample was made with thermal atomic layer deposition (ALD) on top of a Chromium and Gold layer on a silicon wafer. The second sample was made with plasma ALD on top of a Chromium and Gold layer on a Silicon wafer. Both films were deposited at a thickness of 50nm. To obtain atomic structure information, Grazing Incidence X-ray diffraction (GIXRD) was carried out on the HfO2 samples. Because of this, absorption, footprint, polarization, and dead time corrections were applied to the scattering intensity data collected. The scattering curves displayed a difference in structure between the ALD processes. The plasma ALD sample showed the broad peak characteristic of an amorphous structure whereas the thermal ALD sample showed an amorphous structure with characteristics of crystalline materials. This appears to suggest that the thermal process results in a mostly amorphous material with crystallites within. Further, the scattering intensity data was used to calculate a pair distribution function (PDF) to show more atomic structure. The PDF showed atom distances in the plasma ALD sample had structure up to 10 Å, while the thermal ALD sample showed the same structure below 10 Å. This structure that shows up below 10 Å matches the bond distances of HfO2 published in literature. The PDF for the thermal ALD sample also showed peaks up to 20 Å, suggesting repeating atomic spacing outside the HfO2 molecule in the sample. This appears to suggest that there is some crystalline structure within the thermal ALD sample.

  3. Understanding the Structure of Amorphous Thin Film Hafnia - Final Paper

    SciTech Connect

    Miranda, Andre

    2015-08-27

    Hafnium Oxide (HfO2) amorphous thin films are being used as gate oxides in transistors because of their high dielectric constant (κ) over Silicon Dioxide. The present study looks to find the atomic structure of HfO2 thin films which hasn’t been done with the technique of this study. In this study, two HfO2 samples were studied. One sample was made with thermal atomic layer deposition (ALD) on top of a Chromium and Gold layer on a silicon wafer. The second sample was made with plasma ALD on top of a Chromium and Gold layer on a Silicon wafer. Both films were deposited at a thickness of 50nm. To obtain atomic structure information, Grazing Incidence X-ray diffraction (GIXRD) was carried out on the HfO2 samples. Because of this, absorption, footprint, polarization, and dead time corrections were applied to the scattering intensity data collected. The scattering curves displayed a difference in structure between the ALD processes. The plasma ALD sample showed the broad peak characteristic of an amorphous structure whereas the thermal ALD sample showed an amorphous structure with characteristics of crystalline materials. This appears to suggest that the thermal process results in a mostly amorphous material with crystallites within. Further, the scattering intensity data was used to calculate a pair distribution function (PDF) to show more atomic structure. The PDF showed atom distances in the plasma ALD sample had structure up to 10 Å, while the thermal ALD sample showed the same structure below 10 Å. This structure that shows up below 10 Å matches the bond distances of HfO2 published in literature. The PDF for the thermal ALD sample also showed peaks up to 20 Å, suggesting repeating atomic spacing outside the HfO2 molecule in the sample. This appears to suggest that there is some crystalline structure within the thermal ALD sample.

  4. Modeling precursor diffusion and reaction of atomic layer deposition in porous structures

    SciTech Connect

    Keuter, Thomas, E-mail: t.keuter@fz-juelich.de; Menzler, Norbert Heribert; Mauer, Georg; Vondahlen, Frank; Vaen, Robert; Buchkremer, Hans Peter [Forschungszentrum Jlich, Institute of Energy and Climate Research (IEK-1), 52425 Jlich (Germany)

    2015-01-01

    Atomic layer deposition (ALD) is a technique for depositing thin films of materials with a precise thickness control and uniformity using the self-limitation of the underlying reactions. Usually, it is difficult to predict the result of the ALD process for given external parameters, e.g., the precursor exposure time or the size of the precursor molecules. Therefore, a deeper insight into ALD by modeling the process is needed to improve process control and to achieve more economical coatings. In this paper, a detailed, microscopic approach based on the model developed by Yanguas-Gil and Elam is presented and additionally compared with the experiment. Precursor diffusion and second-order reaction kinetics are combined to identify the influence of the porous substrate's microstructural parameters and the influence of precursor properties on the coating. The thickness of the deposited film is calculated for different depths inside the porous structure in relation to the precursor exposure time, the precursor vapor pressure, and other parameters. Good agreement with experimental results was obtained for ALD zirconiumdioxide (ZrO{sub 2}) films using the precursors tetrakis(ethylmethylamido)zirconium and O{sub 2}. The derivation can be adjusted to describe other features of ALD processes, e.g., precursor and reactive site losses, different growth modes, pore size reduction, and surface diffusion.

  5. Atomic layer deposition of perovskite oxides and their epitaxial integration with Si, Ge, and other semiconductors

    SciTech Connect

    McDaniel, Martin D.; Ngo, Thong Q.; Hu, Shen; Ekerdt, John G.; Posadas, Agham; Demkov, Alexander A.

    2015-12-15

    Atomic layer deposition (ALD) is a proven technique for the conformal deposition of oxide thin films with nanoscale thickness control. Most successful industrial applications have been with binary oxides, such as Al{sub 2}O{sub 3} and HfO{sub 2}. However, there has been much effort to deposit ternary oxides, such as perovskites (ABO{sub 3}), with desirable properties for advanced thin film applications. Distinct challenges are presented by the deposition of multi-component oxides using ALD. This review is intended to highlight the research of the many groups that have deposited perovskite oxides by ALD methods. Several commonalities between the studies are discussed. Special emphasis is put on precursor selection, deposition temperatures, and specific property performance (high-k, ferroelectric, ferromagnetic, etc.). Finally, the monolithic integration of perovskite oxides with semiconductors by ALD is reviewed. High-quality epitaxial growth of oxide thin films has traditionally been limited to physical vapor deposition techniques (e.g., molecular beam epitaxy). However, recent studies have demonstrated that epitaxial oxide thin films may be deposited on semiconductor substrates using ALD. This presents an exciting opportunity to integrate functional perovskite oxides for advanced semiconductor applications in a process that is economical and scalable.

  6. Atomic layer deposition of titanium sulfide and its application in extremely thin absorber solar cells

    SciTech Connect

    Mahuli, Neha; Sarkar, Shaibal K.

    2015-01-15

    Atomic layer deposition (ALD) of TiS{sub 2} is investigated with titanium tetrachloride and hydrogen sulfide precursors. In-situ quartz crystal microbalance and ex-situ x-ray reflectivity measurements are carried out to study self-limiting deposition chemistry and material growth characteristics. The saturated growth rate is found to be ca. 0.5 Å/cycle within the ALD temperature window of 125–200 °C. As grown material is found poorly crystalline. ALD grown TiS{sub 2} is applied as a photon harvesting material for solid state sensitized solar cells with TiO{sub 2} as electron transport medium. Initial results with Spiro-OMeTAD as hole conducting layer show ca. 0.6% energy conversion efficiency under 1 sun illumination.

  7. Low interface defect density of atomic layer deposition BeO with self-cleaning reaction for InGaAs metal oxide semiconductor field effect transistors

    SciTech Connect

    Shin, H. S.; SEMATECH, 2706 Montopolis Dr., Austin, Texas 78741; The University of Texas, Austin, Texas 78758 ; Yum, J. H.; The University of Texas, Austin, Texas 78758 ; Johnson, D. W.; Texas A and M University College Station, Texas 77843 ; Harris, H. R.; Hudnall, Todd W.; Oh, J.; Kirsch, P.; Wang, W.-E.; Bielawski, C. W.; Banerjee, S. K.; Lee, J. C.; Lee, H. D.

    2013-11-25

    In this paper, we discuss atomic configuration of atomic layer deposition (ALD) beryllium oxide (BeO) using the quantum chemistry to understand the theoretical origin. BeO has shorter bond length, higher reaction enthalpy, and larger bandgap energy compared with those of ALD aluminum oxide. It is shown that the excellent material properties of ALD BeO can reduce interface defect density due to the self-cleaning reaction and this contributes to the improvement of device performance of InGaAs MOSFETs. The low interface defect density and low leakage current of InGaAs MOSFET were demonstrated using X-ray photoelectron spectroscopy and the corresponding electrical results.

  8. Fabrication of ion conductive tin oxide-phosphate amorphous thin films by atomic layer deposition

    SciTech Connect

    Park, Suk Won; Jang, Dong Young; Kim, Jun Woo; Shim, Joon Hyung

    2015-07-15

    This work reports the atomic layer deposition (ALD) of tin oxide-phosphate films using tetrakis(dimethylamino)tin and trimethyl phosphate as precursors. The growth rates were 1.23–1.84 Å/cycle depending upon the deposition temperature and precursor combination. The ionic conductivity of the ALD tin oxide-phosphate films was evaluated by cross-plane impedance measurements in the temperature range of 50–300 °C under atmospheric air, with the highest conductivity measured as 1.92 × 10{sup −5} S cm{sup −1} at 300 °C. Furthermore, high-resolution x-ray photoelectron spectroscopy exhibited two O1s peaks that were classified as two subpeaks of hydroxyl ions and oxygen ions, revealing that the quantity of hydroxyl ions in the ALD tin oxide-phosphate films influences their ionic conductivity.

  9. Property transformation of graphene with Al{sub 2}O{sub 3} films deposited directly by atomic layer deposition

    SciTech Connect

    Zheng, Li; Cao, Duo; Wang, Zhongjian; Xia, Chao [State Key Laboratory of Functional Materials for Informatics, SIMIT, Chinese Academy of Sciences, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Cheng, Xinhong, E-mail: xh-cheng@mail.sim.ac.cn; Yu, Yuehui [State Key Laboratory of Functional Materials for Informatics, SIMIT, Chinese Academy of Sciences, Shanghai 200050 (China); Shen, Dashen [University of Alabama in Huntsville, Huntsville, Alabama 35899 (United States)

    2014-01-13

    Al{sub 2}O{sub 3} films are deposited directly onto graphene by H{sub 2}O-based atomic layer deposition (ALD), and the films are pinhole-free and continuously cover the graphene surface. The growth process of Al{sub 2}O{sub 3} films does not introduce any detective defects in graphene, suppresses the hysteresis effect and tunes the graphene doping to n-type. The self-cleaning of ALD growth process, together with the physically absorbed H{sub 2}O and oxygen-deficient ALD environment consumes OH{sup ?} bonds, suppresses the p-doping of graphene, shifts Dirac point to negative gate bias and enhances the electron mobility.

  10. Improved high temperature integration of Al{sub 2}O{sub 3} on MoS{sub 2} by using a metal oxide buffer layer

    SciTech Connect

    Son, Seokki; Choi, Moonseok; Kim, Dohyung; Choi, Changhwan; Yu, Sunmoon

    2015-01-12

    We deposited a metal oxide buffer layer before atomic layer deposition (ALD) of Al{sub 2}O{sub 3} onto exfoliated molybdenum disulfide (MoS{sub 2}) in order to accomplish enhanced integration. We demonstrate that even at a high temperature, functionalization of MoS{sub 2} by means of a metal oxide buffer layer can effectively provide nucleation sites for ALD precursors, enabling much better surface coverage of Al{sub 2}O{sub 3}. It is shown that using a metal oxide buffer layer not only allows high temperature ALD process, resulting in highly improved quality of Al{sub 2}O{sub 3}/MoS{sub 2} interface, but also leaves MoS{sub 2} intact.

  11. Enhanced photoresponse of conformal TiO{sub 2}/Ag nanorod array-based Schottky photodiodes fabricated via successive glancing angle and atomic layer deposition

    SciTech Connect

    Haider, Ali; Biyikli, Necmi; Cansizoglu, Hilal; Cansizoglu, Mehmet Fatih; Karabacak, Tansel; Okyay, Ali Kemal

    2015-01-01

    In this study, the authors demonstrate a proof of concept nanostructured photodiode fabrication method via successive glancing angle deposition (GLAD) and atomic layer deposition (ALD). The fabricated metal-semiconductor nanorod (NR) arrays offer enhanced photoresponse compared to conventional planar thin-film counterparts. Silver (Ag) metallic NR arrays were deposited on Ag-film/Si templates by utilizing GLAD. Subsequently, titanium dioxide (TiO{sub 2}) was deposited conformally on Ag NRs via ALD. Scanning electron microscopy studies confirmed the successful formation of vertically aligned Ag NRs deposited via GLAD and conformal deposition of TiO{sub 2} on Ag NRs via ALD. Following the growth of TiO{sub 2} on Ag NRs, aluminum metallic top contacts were formed to complete the fabrication of NR-based Schottky photodiodes. Nanostructured devices exhibited a photo response enhancement factor of 1.49??10{sup 2} under a reverse bias of 3 V.

  12. Low temperature thin film transistors with hollow cathode plasma-assisted atomic layer deposition based GaN channels

    SciTech Connect

    Bolat, S. E-mail: aokyay@ee.bilkent.edu.tr; Tekcan, B.; Ozgit-Akgun, C.; Biyikli, N.; Okyay, A. K. E-mail: aokyay@ee.bilkent.edu.tr

    2014-06-16

    We report GaN thin film transistors (TFT) with a thermal budget below 250?C. GaN thin films are grown at 200?C by hollow cathode plasma-assisted atomic layer deposition (HCPA-ALD). HCPA-ALD-based GaN thin films are found to have a polycrystalline wurtzite structure with an average crystallite size of 9.3?nm. TFTs with bottom gate configuration are fabricated with HCPA-ALD grown GaN channel layers. Fabricated TFTs exhibit n-type field effect characteristics. N-channel GaN TFTs demonstrated on-to-off ratios (I{sub ON}/I{sub OFF}) of 10{sup 3} and sub-threshold swing of 3.3?V/decade. The entire TFT device fabrication process temperature is below 250?C, which is the lowest process temperature reported for GaN based transistors, so far.

  13. Numerical modeling of carrier gas flow in atomic layer deposition vacuum reactor: A comparative study of lattice Boltzmann models

    SciTech Connect

    Pan, Dongqing; Chien Jen, Tien [Department of Mechanical Engineering, University of Wisconsin-Milwaukee, Milwaukee, Wisconsin 53201 (United States); Li, Tao [School of Mechanical Engineering, Dalian University of Technology, Dalian 116024 (China); Yuan, Chris, E-mail: cyuan@uwm.edu [Department of Mechanical Engineering, University of Wisconsin-Milwaukee, 3200 North Cramer Street, Milwaukee, Wisconsin 53211 (United States)

    2014-01-15

    This paper characterizes the carrier gas flow in the atomic layer deposition (ALD) vacuum reactor by introducing Lattice Boltzmann Method (LBM) to the ALD simulation through a comparative study of two LBM models. Numerical models of gas flow are constructed and implemented in two-dimensional geometry based on lattice BhatnagarGrossKrook (LBGK)-D2Q9 model and two-relaxation-time (TRT) model. Both incompressible and compressible scenarios are simulated and the two models are compared in the aspects of flow features, stability, and efficiency. Our simulation outcome reveals that, for our specific ALD vacuum reactor, TRT model generates better steady laminar flow features all over the domain with better stability and reliability than LBGK-D2Q9 model especially when considering the compressible effects of the gas flow. The LBM-TRT is verified indirectly by comparing the numerical result with conventional continuum-based computational fluid dynamics solvers, and it shows very good agreement with these conventional methods. The velocity field of carrier gas flow through ALD vacuum reactor was characterized by LBM-TRT model finally. The flow in ALD is in a laminar steady state with velocity concentrated at the corners and around the wafer. The effects of flow fields on precursor distributions, surface absorptions, and surface reactions are discussed in detail. Steady and evenly distributed velocity field contribute to higher precursor concentration near the wafer and relatively lower particle velocities help to achieve better surface adsorption and deposition. The ALD reactor geometry needs to be considered carefully if a steady and laminar flow field around the wafer and better surface deposition are desired.

  14. Surface modification of nitrogen-doped carbon nanotubes by ozone via atomic layer deposition

    SciTech Connect

    Lushington, Andrew; Liu, Jian; Tang, Yongji; Li, Ruying; Sun, Xueliang, E-mail: xsun@eng.uwo.ca [Department of Mechanical and Materials Engineering, University of Western Ontario, London, Ontario N6A 5B9 (Canada)

    2014-01-15

    The use of ozone as an oxidizing agent for atomic layer deposition (ALD) processes is rapidly growing due to its strong oxidizing capabilities. However, the effect of ozone on nanostructured substrates such as nitrogen-doped multiwalled carbon nanotubes (NCNTs) and pristine multiwalled carbon nanotubes (PCNTs) are not very well understood and may provide an avenue toward functionalizing the carbon nanotube surface prior to deposition. The effects of ALD ozone treatment on NCNTs and PCNTs using 10?wt. % ozone at temperatures of 150, 250, and 300?C are studied. The effect of ozone pulse time and ALD cycle number on NCNTs and PCNTs was also investigated. Morphological changes to the substrate were observed by scanning electron microscopy and high resolution transmission electron microscopy. Brunauer-Emmett-Teller measurements were also conducted to determine surface area, pore size, and pore size distribution following ozone treatment. The graphitic nature of both NCNTs and PCNTs was determined using Raman analysis while x-ray photoelectron spectroscopy (XPS) was employed to probe the chemical nature of NCNTs. It was found that O{sub 3} attack occurs preferentially to the outermost geometric surface of NCNTs. Our research also revealed that the deleterious effects of ozone are found only on NCNTs while little or no damage occurs on PCNTs. Furthermore, XPS analysis indicated that ALD ozone treatment on NCNTs, at elevated temperatures, results in loss of nitrogen content. Our studies demonstrate that ALD ozone treatment is an effective avenue toward creating low nitrogen content, defect rich substrates for use in electrochemical applications and ALD of various metal/metal oxides.

  15. Impact of N{sub 2} and forming gas plasma exposure on the growth and interfacial characteristics of Al{sub 2}O{sub 3} on AlGaN

    SciTech Connect

    Qin, Xiaoye; Dong, Hong; Brennan, Barry; Azacatl, Angelica; Kim, Jiyoung; Wallace, Robert M.

    2013-11-25

    The interface and atomic layer deposition (ALD) of Al{sub 2}O{sub 3} on the annealed, N{sub 2} plasma and forming gas (N{sub 2}:H{sub 2}) exposed Al{sub 0.25}Ga{sub 0.75}N surface was studied using in situ X-ray photoelectron spectroscopy and low energy ion scattering spectroscopy. Exposure of the Al{sub 0.25}Ga{sub 0.75}N surface to the plasma treatments is able to remove spurious carbon, and readily facilitate uniform ALD Al{sub 2}O{sub 3} nucleation.

  16. Surface and interfacial reaction study of InAs(100)-crystalline oxide interface

    SciTech Connect

    Zhernokletov, D. M.; Laukkanen, P.; Dong, H.; Brennan, B.; Kim, J.; Galatage, R. V.; Yakimov, M.; Tokranov, V.; Oktyabrsky, S.; Wallace, R. M.; Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, Texas 75080

    2013-05-27

    A crystalline oxide film on InAs(100) is investigated with in situ monochromatic x-ray photoelectron spectroscopy and low energy electron diffraction before and after in situ deposition of Al{sub 2}O{sub 3} by atomic layer deposition (ALD) as well as upon air exposure. The oxidation process leads to arsenic and indium trivalent oxidation state formation. The grown epitaxial oxide-InAs interface is stable upon ALD reactor exposure; however, trimethyl aluminum decreases oxidation states resulting in an unreconstructed surface. An increase in oxide concentration is also observed upon air exposure suggesting the crystalline oxide surface is unstable.

  17. Fluorine contamination in yttrium-doped barium zirconate film deposited by atomic layer deposition

    SciTech Connect

    An Jihwan; Beom Kim, Young; Sun Park, Joong; Hyung Shim, Joon; Guer, Turgut M.; Prinz, Fritz B.

    2012-01-15

    The authors have investigated the change of chemical composition, crystallinity, and ionic conductivity in fluorine contaminated yttrium-doped barium zirconate (BYZ) fabricated by atomic layer deposition (ALD). It has been identified that fluorine contamination can significantly affect the conductivity of the ALD BYZ. The authors have also successfully established the relationship between process temperature and contamination and the source of fluorine contamination, which was the perfluoroelastomer O-ring used for vacuum sealing. The total removal of fluorine contamination was achieved by using all-metal sealed chamber instead of O-ring seals.

  18. Infrared and thermoelectric power generation in thin atomic layer deposited Nb-doped TiO{sub 2} films

    SciTech Connect

    Mann, Harkirat S.; Lang, Brian N.; Schwab, Yosyp; Scarel, Giovanna; Niemelä, Janne-Petteri; Karppinen, Maarit

    2015-01-15

    Infrared radiation is used to radiatively transfer heat to a nanometric power generator (NPG) device with a thermoelectric Nb-doped TiO{sub 2} film deposited by atomic layer deposition (ALD) as the active element, onto a borosilicate glass substrate. The linear rise of the produced voltage with respect to the temperature difference between the “hot” and “cold” junctions, typical of the Seebeck effect, is missing. The discovery of the violation of the Seebeck effect in NPG devices combined with the ability of ALD to tune thermoelectric thin film properties could be exploited to increase the efficiency of these devices for energy harvesting purposes.

  19. Light-Material Interactions in Energy Conversion - Energy Frontier Research

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Center (LMI-EFRC) Cambridge Nanotech Atomic Layer Deposition A Cambridge Nanotech (USA) Savannah S200 atomic layer deposition (ALD) system was purchased for conformal growth of metal oxide films. ALD is the growth of films by sequential, self-limiting, surface chemical reactions and thus allows for precise thickness control. This system is capable of depositing nearly any metal oxide (e.g., TiO2, Al2O3) and is upgradable for metal sulfide deposition. This tool is housed in N. Lewis

  20. Nucleation and growth of MgO atomic layer deposition: A real-time spectroscopic ellipsometry study

    SciTech Connect

    Wang, Han; Fu, Kan

    2013-11-15

    The atomic layer deposition (ALD) of MgO thin films from bis(cyclopentadienyl) magnesium and H{sub 2}O was studied using in-situ real-time spectroscopic ellipsometry (SE), ex-situ x-ray photoelectron spectroscopy, and grazing-incidence x-ray diffraction. It is found that the initial growth is not linear during the first ten cycles, and magnesium silicate forms spontaneously on the SiO{sub 2}/Si substrates at 250 C. Submonolayer sensitivity of SE is demonstrated by the analysis of each half-cycle and self-limiting adsorption, revealing characteristic features of hetero- and homo-MgO ALD processes.

  1. X-ray studies of concentrated aqueous solutions

    SciTech Connect

    Ludwig, K.F. Jr.; Warburton, W.K.; Fontaine, A.

    1987-07-01

    Concentrated aqueous solutions of three transition metal bromides (ZnBr/sub 2/, CuBr/sub 2/, and NiBr/sub 2/) and an alkali bromide (RbBr) have been studied with differential anomalous scattering (DAS) and extended x-ray absorption fine structure (EXAFS). The aq-ZnBr/sub 2/ solutions exhibit considerable inner-shell ion complexing with the formation of tetrahedral complexes about the Zn/sup 2 +/. In aq-CuBr/sub 2/, the Cu/sup 2 +/ has an octahedral coordination shell. Most of the anions are bound directly to the cations in both solutions. In contrast, there are only a few Ni--Br nearest neighbors in aq-NiBr/sub 2/. Instead, cations and anions share hydrating water molecules. Preliminary data show that any ion complexing in aq-RbBr must be weak. These results are in good agreement with published thermodynamic studies.

  2. Initial growth, refractive index, and crystallinity of thermal and plasma-enhanced atomic layer deposition AlN films

    SciTech Connect

    Van Bui, Hao Wiggers, Frank B.; Gupta, Anubha; Nguyen, Minh D.; Aarnink, Antonius A. I.; Jong, Michel P. de; Kovalgin, Alexey Y.

    2015-01-01

    The authors have studied and compared the initial growth and properties of AlN films deposited on Si(111) by thermal and plasma-enhanced atomic layer deposition (ALD) using trimethylaluminum and either ammonia or a N{sub 2}-H{sub 2} mixture as precursors. In-situ spectroscopic ellipsometry was employed to monitor the growth and measure the refractive index of the films during the deposition. The authors found that an incubation stage only occurred for thermal ALD. The linear growth for plasma-enhanced ALD (PEALD) started instantly from the beginning due to the higher nuclei density provided by the presence of plasma. The authors observed the evolution of the refractive index of AlN during the growth, which showed a rapid increase up to a thickness of about 30?nm followed by a saturation. Below this thickness, higher refractive index values were obtained for AlN films grown by PEALD, whereas above that the refractive index was slightly higher for thermal ALD films. X-ray diffraction characterization showed a wurtzite crystalline structure with a (101{sup }0) preferential orientation obtained for all the layers with a slightly better crystallinity for films grown by PEALD.

  3. Growth behavior and properties of atomic layer deposited tin oxide on silicon from novel tin(II)acetylacetonate precursor and ozone

    SciTech Connect

    Kannan Selvaraj, Sathees; Feinerman, Alan; Takoudis, Christos G.

    2014-01-15

    In this work, a novel liquid tin(II) precursor, tin(II)acetylacetonate [Sn(acac){sub 2}], was used to deposit tin oxide films on Si(100) substrate, using a custom-built hot wall atomic layer deposition (ALD) reactor. Three different oxidizers, water, oxygen, and ozone, were tried. Resulting growth rates were studied as a function of precursor dosage, oxidizer dosage, reactor temperature, and number of ALD cycles. The film growth rate was found to be 0.1??0.01?nm/cycle within the wide ALD temperature window of 175300?C using ozone; no film growth was observed with water or oxygen. Characterization methods were used to study the composition, interface quality, crystallinity, microstructure, refractive index, surface morphology, and resistivity of the resulting films. X-ray photoelectron spectra showed the formation of a clean SnO{sub x}Si interface. The resistivity of the SnO{sub x} films was calculated to be 0.3?? cm. Results of this work demonstrate the possibility of introducing Sn(acac){sub 2} as tin precursor to deposit conducting ALD SnO{sub x} thin films on a silicon surface, with clean interface and no formation of undesired SiO{sub 2} or other interfacial reaction products, for transparent conducting oxide applications.

  4. Microscopic silicon-based lateral high-aspect-ratio structures for thin film conformality analysis

    SciTech Connect

    Gao, Feng; Arpiainen, Sanna; Puurunen, Riikka L.

    2015-01-15

    Film conformality is one of the major drivers for the interest in atomic layer deposition (ALD) processes. This work presents new silicon-based microscopic lateral high-aspect-ratio (LHAR) test structures for the analysis of the conformality of thin films deposited by ALD and by other chemical vapor deposition means. The microscopic LHAR structures consist of a lateral cavity inside silicon with a roof supported by pillars. The cavity length (e.g., 20–5000 μm) and cavity height (e.g., 200–1000 nm) can be varied, giving aspect ratios of, e.g., 20:1 to 25 000:1. Film conformality can be analyzed with the microscopic LHAR by several means, as demonstrated for the ALD Al{sub 2}O{sub 3} and TiO{sub 2} processes from Me{sub 3}Al/H{sub 2}O and TiCl{sub 4}/H{sub 2}O. The microscopic LHAR test structures introduced in this work expose a new parameter space for thin film conformality investigations expected to prove useful in the development, tuning and modeling of ALD and other chemical vapor deposition processes.

  5. Bottom-gate coplanar graphene transistors with enhanced graphene adhesion on atomic layer deposition Al{sub 2}O{sub 3}

    SciTech Connect

    Park, Dong-Wook; Mikael, Solomon; Chang, Tzu-Hsuan; Ma, Zhenqiang; Gong, Shaoqin

    2015-03-09

    A graphene transistor with a bottom-gate coplanar structure and an atomic layer deposition (ALD) aluminum oxide (Al{sub 2}O{sub 3}) gate dielectric is demonstrated. Wetting properties of ALD Al{sub 2}O{sub 3} under different deposition conditions are investigated by measuring the surface contact angle. It is observed that the relatively hydrophobic surface is suitable for adhesion between graphene and ALD Al{sub 2}O{sub 3}. To achieve hydrophobic surface of ALD Al{sub 2}O{sub 3}, a methyl group (CH{sub 3})-terminated deposition method has been developed and compared with a hydroxyl group (OH)-terminated deposition. Based on this approach, bottom-gate coplanar graphene field-effect transistors are fabricated and characterized. A post-thermal annealing process improves the performance of the transistors by enhancing the contacts between the source/drain metal and graphene. The fabricated transistor shows an I{sub on}/I{sub off} ratio, maximum transconductance, and field-effect mobility of 4.04, 20.1??S at V{sub D}?=?0.1?V, and 249.5?cm{sup 2}/Vs, respectively.

  6. In situ study of the role of substrate temperature during atomic layer deposition of HfO{sub 2} on InP

    SciTech Connect

    Dong, H.; Santosh, K.C.; Qin, X.; Brennan, B.; McDonnell, S.; Kim, J.; Zhernokletov, D.; Hinkle, C. L.; Cho, K.; Wallace, R. M.; Department of Physics, University of Texas at Dallas, Richardson, Texas 75080

    2013-10-21

    The dependence of the “self cleaning” effect of the substrate oxides on substrate temperature during atomic layer deposition (ALD) of HfO{sub 2} on various chemically treated and native oxide InP (100) substrates is investigated using in situ X-ray photoelectron spectroscopy. The removal of In-oxide is found to be more efficient at higher ALD temperatures. The P oxidation states on native oxide and acid etched samples are seen to change, with the total P-oxide concentration remaining constant, after 10 cycles of ALD HfO{sub 2} at different temperatures. An (NH{sub 4}){sub 2} S treatment is seen to effectively remove native oxides and passivate the InP surfaces independent of substrate temperature studied (200 °C, 250 °C and 300 °C) before and after the ALD process. Density functional theory modeling provides insight into the mechanism of the changes in the P-oxide chemical states.

  7. Carbon Nanosheets and Nanostructured Electrodes in Organic Photovoltaic Devices: Cooperative Research and Development Final Report, CRADA Number CRD-08-321

    SciTech Connect

    Olson, D.

    2012-04-01

    Carbon nanosheet thin films were employed as nanostructured electrodes in organic solar cells. Due to the nanostructured texture of the carbon nanosheet electrodes, there was an increase in performance over standard ITO electrodes with very thick active layers. ZnO deposited via atomic layer deposition (ALD) was used as a hole blocking layer to provide for carrier selectivity of the carbon nanosheets.

  8. Initiation of atomic layer deposition of metal oxides on polymer substrates by water plasma pretreatment

    SciTech Connect

    Steven Brandt, E.; Grace, Jeremy M.

    2012-01-15

    The role of surface hydroxyl content in atomic layer deposition (ALD) of aluminum oxide (AO) on polymers is demonstrated by performing an atomic layer deposition of AO onto a variety of polymer types, before and after pretreatment in a plasma struck in water vapor. The treatment and deposition reactions are performed in situ in a high vacuum chamber that is interfaced to an x-ray photoelectron spectrometer to prevent adventitious exposure to atmospheric contaminants. X-ray photoelectron spectroscopy is used to follow the surface chemistries of the polymers, including theformation of surface hydroxyls and subsequent growth of AO by ALD. Using dimethyl aluminum isopropoxide and water as reactants, ALD is obtained for water-plasma-treated poly(styrene) (PS), poly(propylene) (PP), poly(vinyl alcohol) (PVA), and poly(ethylene naphthalate) (PEN). For PS, PP, and PEN, initial growth rates of AO on the native (untreated) polymers are at least an order of magnitude lower than on the same polymer surface following the plasma treatment. By contrast, native PVA is shown to initiate ALD of AO as a result of the presence of intrinsic surface hydroxyls that are derived from the repeat unit of this polymer.

  9. Coating Strategies to Improve Lithium-ion Battery Safety

    SciTech Connect

    Travis, Jonathan; Orendorff, Christopher J.

    2015-09-01

    This work investigated the effects of Al2O3 ALD coatings on the performance and thermal abuse tolerance of graphite based anodes and Li(NixMnyCoz)O2 (NMC) based cathodes. It was found that 5 cycles of Al2O3 ALD on the graphite anode increased the onset temperature of thermal runaway by approximately 20 °C and drastically reduced the anode’s contribution to the overall amount of heat released during thermal runaway. Although Al2O3 ALD improves the cycling stability of NMC based cathodes, the thermal abuse tolerance was not greatly improved. A series of conductive aluminum oxide/carbon composites were created and characterized as potential thicker protective coatings for use on NMC based cathode materials. A series of electrodes were coated with manganese monoxide ALD to test the efficacy of an oxygen scavenging coating on NMC based cathodes.

  10. Biotechnology at the Cutting Edge - Keasling

    ScienceCinema

    Keasling, Jay

    2016-07-12

    Jay Keasling, Berkeley Lab ALD for Biosciences and CEO of the Joint BioEnergy Institute, appears in a video on biotechnology at the Smithsonian's National Museum of American History. The video is part of en exhibit titled "Science in American Life," which examines the relationship between science, technology, progress and culture through artifacts, historical photographs and multimedia technology.

  11. Biotechnology at the Cutting Edge - Keasling

    SciTech Connect

    Keasling, Jay

    2010-01-01

    Jay Keasling, Berkeley Lab ALD for Biosciences and CEO of the Joint BioEnergy Institute, appears in a video on biotechnology at the Smithsonian's National Museum of American History. The video is part of en exhibit titled "Science in American Life," which examines the relationship between science, technology, progress and culture through artifacts, historical photographs and multimedia technology.

  12. CO.

    Office of Legacy Management (LM)

    hcloscd in a-;.F' . - .T- m The radiologic?. survey report for thz Z.J, Lui;ont i;o:,:c:;,ours and Co. facility, a:ld - The L.1. Dupont DCieLOurS and Co. fscility Site Su:::ary. ...

  13. Angel Yanguas-Gil | Argonne National Laboratory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Angel Yanguas-Gil Angel Yanguas-Gil Principal Materials Scientist & Institute Fellow, Northwestern Argonne Institute of Science and Engineering News Argonne and Kyma Technologies win spot in second cohort of Technologist In Residence Program Telephone 630-252-7353 E-mail ayg@anl.gov Website Personal site Twitter Argonne ALD site

  14. Atomic Layer Deposition | Argonne National Laboratory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Atomic Layer Deposition New nanophase thin film materials with properties tailored to specifically meet the needs of industry New software simulates ALD over multiple length scale, saving industry time and money on developing specialized tools PDF icon Atomic_Layer_Deposition

  15. Directory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    09-765 Technical Abstract 09-765 Technical Abstract ALD Produced B2O3, Al2O3 and TiO2 Coatings on Gd2O3 Burnable Poison Nanoparticles (Properties) 61915 10:12 AM 61915 10:12 AM...

  16. Border trap reduction in Al{sub 2}O{sub 3}/InGaAs gate stacks

    SciTech Connect

    Tang, Kechao; McIntyre, Paul C.; Winter, Roy; Eizenberg, Moshe; Zhang, Liangliang; Droopad, Ravi

    2015-11-16

    The effect of Al{sub 2}O{sub 3} atomic layer deposition (ALD) temperature on the border trap density (N{sub bt}) of Al{sub 2}O{sub 3}/InGaAs gate stacks is investigated quantitatively, and we demonstrate that lowering the trimethylaluminum (TMA)/water vapor ALD temperature from 270 °C to 120 °C significantly reduces N{sub bt}. The reduction of N{sub bt} coincides with increased hydrogen incorporation in low temperature ALD-grown Al{sub 2}O{sub 3} films during post-gate metal forming gas annealing. It is also found that large-dose (∼6000 L) exposure of the In{sub 0.53}Ga{sub 0.47}As (100) surface to TMA immediately after thermal desorption of a protective As{sub 2} capping layer is an important step to guarantee the uniformity and reproducibility of high quality Al{sub 2}O{sub 3}/InGaAs samples made at low ALD temperatures.

  17. Self-forming Al oxide barrier for nanoscale Cu interconnects created by hybrid atomic layer deposition of Cu–Al alloy

    SciTech Connect

    Park, Jae-Hyung; Han, Dong-Suk; Kang, You-Jin; Shin, So-Ra; Park, Jong-Wan

    2014-01-15

    The authors synthesized a Cu–Al alloy by employing alternating atomic layer deposition (ALD) surface reactions using Cu and Al precursors, respectively. By alternating between these two ALD surface chemistries, the authors fabricated ALD Cu–Al alloy. Cu was deposited using bis(1-dimethylamino-2-methyl-2-butoxy) copper as a precursor and H{sub 2} plasma, while Al was deposited using trimethylaluminum as the precursor and H{sub 2} plasma. The Al atomic percent in the Cu–Al alloy films varied from 0 to 15.6 at. %. Transmission electron microscopy revealed that a uniform Al-based interlayer self-formed at the interface after annealing. To evaluate the barrier properties of the Al-based interlayer and adhesion between the Cu–Al alloy film and SiO{sub 2} dielectric, thermal stability and peel-off adhesion tests were performed, respectively. The Al-based interlayer showed similar thermal stability and adhesion to the reference Mn-based interlayer. Our results indicate that Cu–Al alloys formed by alternating ALD are suitable seed layer materials for Cu interconnects.

  18. Flexible Ultra Moisture Barrier Film for Thin-Film Photovoltaic Applications

    SciTech Connect

    David M. Dean

    2012-10-30

    Flexible Thin-film photovoltaic (TFPV) is a low cost alternative to incumbent c-Si PV products as it requires less volume of costly semiconductor materials and it can potentially reduce installation cost. Among the TFPV options, copper indium gallium diselenide (CIGS) has the highest efficiency and is believed to be one of the most attractive candidates to achieve PV cost reduction. However, CIGS cells are very moisture sensitive and require module water vapor transmission rate (WVTR) of less than 1x10-4 gram of water per square meter per day (g-H2O/m2/day). Successful development and commercialization of flexible transparent ultra moisture barrier film is the key to enable flexible CIGS TFPV products, and thus enable ultimate PV cost reduction. At DuPont, we have demonstrated at lab scale that we can successfully make polymer-based flexible transparent ultra moisture barrier film by depositing alumina on polymer films using atomic layer deposition (ALD) technology. The layer by layer ALD approach results in uniform and amorphous structure which effectively reduces pinhole density of the inorganic coating on the polymer, and thus allow the fabrication of flexible barrier film with WVTR of 10-5 g-H2O/m2/day. Currently ALD is a time-consuming process suitable only for high-value, relatively small substrates. To successfully commercialize the ALD-on-plastic technology for the PV industry, there is the need to scale up this technology and improve throughput. The goal of this contract work was to build a prototype demonstrating that the ALD technology could be scaled-up for commercial use. Unfortunately, the prototype failed to produce an ultra-barrier film by the close of the project.

  19. Energy Technology Division research summary - 1999.

    SciTech Connect

    1999-03-31

    The Energy Technology Division provides materials and engineering technology support to a wide range of programs important to the US Department of Energy. As shown on the preceding page, the Division is organized into ten sections, five with concentrations in the materials area and five in engineering technology. Materials expertise includes fabrication, mechanical properties, corrosion, friction and lubrication, and irradiation effects. Our major engineering strengths are in heat and mass flow, sensors and instrumentation, nondestructive testing, transportation, and electromechanics and superconductivity applications. The Division Safety Coordinator, Environmental Compliance Officers, Quality Assurance Representative, Financial Administrator, and Communication Coordinator report directly to the Division Director. The Division Director is personally responsible for cultural diversity and is a member of the Laboratory-wide Cultural Diversity Advisory Committee. The Division's capabilities are generally applied to issues associated with energy production, transportation, utilization, or conservation, or with environmental issues linked to energy. As shown in the organization chart on the next page, the Division reports administratively to the Associate Laboratory Director (ALD) for Energy and Environmental Science and Technology (EEST) through the General Manager for Environmental and Industrial Technologies. While most of our programs are under the purview of the EEST ALD, we also have had programs funded under every one of the ALDs. Some of our research in superconductivity is funded through the Physical Research Program ALD. We also continue to work on a number of nuclear-energy-related programs under the ALD for Engineering Research. Detailed descriptions of our programs on a section-by-section basis are provided in the remainder of this book.

  20. Continuous Nanofiber/Nanotube Manufacturing System - Energy Innovation...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    and 100-1000x higher with similarly sized new design<br > <br > Choose between nanofibers and nanotubes 3rd (Current) Generation Performance Optimization 1.1kW 10-20 mgh,...

  1. Lattice dynamics in perovskite halides CsSn X 3 with X = I ,...

    Office of Scientific and Technical Information (OSTI)

    Lattice dynamics in perovskite halides CsSn X 3 with X I , Br , Cl Prev Next Title: Lattice dynamics in perovskite halides CsSn X 3 with X I , Br , Cl Authors: Huang, ...

  2. Lattice dynamics in perovskite halides CsSn X 3 with X = I ,...

    Office of Scientific and Technical Information (OSTI)

    Lattice dynamics in perovskite halides CsSn X 3 with X I , Br , Cl Citation Details In-Document Search Title: Lattice dynamics in perovskite halides CsSn X 3 with X I , Br , Cl ...

  3. A nanosized hydrogen generator | Argonne National Laboratory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    (bR), and electrons from sunlight, merge at the site of the platinum to produce hydrogen. ... (bR), and electrons from sunlight, merge at the site of the platinum to produce hydrogen. ...

  4. cyber

    National Nuclear Security Administration (NNSA)

    and the review of information prior to public release or posting to publicly available web sites to assure it does not contain data that would assist an adversary.<br ><br...

  5. IT

    National Nuclear Security Administration (NNSA)

    and the review of information prior to public release or posting to publicly available web sites to assure it does not contain data that would assist an adversary.<br ><br...

  6. and Respond

    National Nuclear Security Administration (NNSA)

    nuclear materials and the security implications of the global deployment of civil nuclear power.<br ><br >The FY 2015 NPCR is available for download

  7. Prevent Counter

    National Nuclear Security Administration (NNSA)

    nuclear materials and the security implications of the global deployment of civil nuclear power.<br ><br >The FY 2015 NPCR is available for download

  8. uranium

    National Nuclear Security Administration (NNSA)

    a> <BR ><BR >

    NNSA Removes U.S.-Origin HEU from Jamaica, Makes the Caribbean HEU Free http:nnsa.energy.govmediaroompressreleasesnnsa-removes-u.s.-origin-heu-jamaica-mak...

  9. Slide 1

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    LiBr MSH and Brnsted acid and not by LiBr. Metal salts could potentially serve as Lewis acids for "one- pot" downstream tandem reactions. Deng et al. Ind. Eng. Chem. Res....

  10. Magnetocaloric Refrigeration | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Magnetocaloric Refrigeration Magnetocaloric Refrigeration Researchers demonstrate General Electric's magnetocaloric system. <br > Photo courtesy of General Electric Researchers ...

  11. Vibrational excitations in chloromethyl radical formed by the photodissociation of chlorobromomethane

    SciTech Connect

    Li, Qianguang; Lu, Jinjun; Zhang, Xiu; Tang, Bifeng; Zhu, Rongshu

    2014-01-21

    Using velocity map ion imaging, the photodissociation of chlorobromomethane (CH{sub 2}BrCl) at 233–234 nm has been studied. The total translational energy distributions and the anisotropy parameters have been determined from the ion images of the photofragments Br ({sup 2}P{sub 1/2}) (denoted as Br{sup *}) and Br ({sup 2}P{sub 3/2}) (denoted as Br) for the dominant CH{sub 2}BrCl + hv → CH{sub 2}Cl + Br{sup *} and CH{sub 2}BrCl + hv → CH{sub 2}Cl + Br channels. Using an impulsive model invoking angular momentum conservation, the vibrational energy distributions of the chloromethyl radicals have been derived from the total translational energy distributions for the two channels. The study suggests that there are a number of vibrational modes of the chloromethyl radical to be excited in both of the two photodissociation channels. In the Br* channel, the CH{sub 2} s-stretch mode v{sub 1} has the most probability of excitation. While in the Br channel, the CH{sub 2} scissors mode ν{sub 2} is attributed to the highest peak of the vibrational energy curve of the chloromethyl radical. The results further imply that, following absorption of one UV photon of 234 nm, other vibrational modes besides v{sub 5} (C–Br stretch mode) are also excited in the parent molecule.

  12. The Potential for Renewable Energy Development to Benefit Restoration of the Salton Sea. Analysis of Technical and Market Potential

    SciTech Connect

    Gagne, Douglas; Haase, Scott; Oakleaf, Brett; Hurlbut, David; Akar, Sertac; Wall, Anna; Turchi, Craig; Pienkos, Philip; Melius, Jennifer; Melaina, Marc

    2015-11-01

    This report summarizes the potential for renewable energy development in the Salton Sea region, as well as the potential for revenues from this development to contribute financially to Salton Sea restoration costs. It considers solar, geothermal, biofuels or nutraceutical production from algae pond cultivation, desalination using renewable energy, and mineral recovery from geothermal fluids. <br/> <br/> <br/>

  13. Cytochrome P450 2A5 and bilirubin: Mechanisms of gene regulation and cytoprotection

    SciTech Connect

    Kim, Sangsoo Daniel; Antenos, Monica; Squires, E. James; Kirby, Gordon M.

    2013-07-15

    Bilirubin (BR) has recently been identified as the first endogenous substrate for cytochrome P450 2A5 (CYP2A5) and it has been suggested that CYP2A5 plays a major role in BR clearance as an alternative mechanism to BR conjugation by uridine-diphosphate glucuronyltransferase 1A1. This study investigated the mechanisms of Cyp2a5 gene regulation by BR and the cytoprotective role of CYP2A5 in BR hepatotoxicity. BR induced CYP2A5 expression at the mRNA and protein levels in a dose-dependent manner in primary mouse hepatocytes. BR treatment also caused nuclear translocation of Nuclear factor-E2 p45-related factor 2 (Nrf2) in hepatocytes. In reporter assays, BR treatment of primary hepatocytes transfected with a Cyp2a5 promoter-luciferase reporter construct resulted in a 2-fold induction of Cyp2a5 reporter activity. Furthermore, cotransfection of the hepatocytes with a Nrf2 expression vector without BR treatment resulted in an increase in Cyp2a5 reporter activity of approximately 2-fold and BR treatment of Nrf2 cotransfectants further increased reporter activity by 4-fold. In addition, site-directed mutation of the ARE in the reporter construct completely abolished both the BR- and Nrf2-mediated increases in reporter activity. The cytoprotective role of CYP2A5 against BR-mediated apoptosis was also examined in Hepa 1–6 cells that lack endogenous CYP2A5. Transient overexpression of CYP2A5 partially blocked BR-induced caspase-3 cleavage in Hepa 1–6 cells. Furthermore, in vitro degradation of BR was increased by microsomes from Hepa 1–6 cells overexpressing CYP2A5 compared to control cells transfected with an empty vector. Collectively, these results suggest that Nrf2-mediated CYP2A5 transactivation in response to BR may provide an additional mechanism for adaptive cytoprotection against BR hepatotoxicity. - Highlights: • The mechanism of Cyp2a5 gene regulation by BR was investigated. • The cytoprotective role of CYP2A5 in BR hepatotoxicity was determined. • BR

  14. Waterless TiO{sub 2} atomic layer deposition using titanium tetrachloride and titanium tetraisopropoxide

    SciTech Connect

    Anderson, Virginia R.; Cavanagh, Andrew S.; Abdulagatov, Aziz I.; Gibbs, Zachary M.; George, Steven M.

    2014-01-15

    The surface chemistry for TiO{sub 2} atomic layer deposition (ALD) typically utilizes water or other oxidants that can oxidize underlying substrates such as magnetic disks or semiconductors. To avoid this oxidation, waterless or oxidant-free surface chemistry can be used that involves titanium halides and titanium alkoxides. In this study, waterless TiO{sub 2} ALD was accomplished using titanium tetrachloride (TiCl{sub 4}) and titanium tetraisopropoxide (TTIP). In situ transmission Fourier transform infrared (FTIR) studies were employed to study the surface species and the reactions during waterless TiO{sub 2} ALD. At low temperatures between 125 and 225  °C, the FTIR absorbance spectra revealed that the isopropoxide species remained on the surface after TTIP exposures. The TiCl{sub 4} exposures then removed the isopropoxide species and deposited additional titanium species. At high temperatures between 250 and 300  °C, the isopropoxide species were converted to hydroxyl species by β-hydride elimination. The observation of propene gaseous reaction product by quadrupole mass spectrometry (QMS) confirmed the β-hydride elimination reaction pathway. The TiCl{sub 4} exposures then easily reacted with the hydroxyl species. QMS studies also observed the 2-chloropropane and HCl gaseous reaction products and monitored the self-limiting nature of the TTIP reaction. Additional studies examined the waterless TiO{sub 2} ALD growth at low and high temperature. Quartz crystal microbalance measurements observed growth rates of ∼3 ng/cm{sup 2} at a low temperature of 150  °C. Much higher growth rates of ∼15 ng/cm{sup 2} were measured at a higher temperature of 250  °C under similar reaction conditions. X-ray reflectivity analysis measured a growth rate of 0.55 ± 0.05 Å/cycle at 250  °C. X-ray photoelectron depth-profile studies showed that the TiO{sub 2} films contained low Cl concentrations <1 at. %. This waterless TiO{sub 2} ALD process

  15. Isotope analysis of diamond-surface passivation effect of high-temperature H{sub 2}O-grown atomic layer deposition-Al{sub 2}O{sub 3} films

    SciTech Connect

    Hiraiwa, Atsushi E-mail: qs4a-hriw@asahi-net.or.jp; Saito, Tatsuya; Matsumura, Daisuke; Kawarada, Hiroshi

    2015-06-07

    The Al{sub 2}O{sub 3} film formed using an atomic layer deposition (ALD) method with trimethylaluminum as Al precursor and H{sub 2}O as oxidant at a high temperature (450?C) effectively passivates the p-type surface conduction (SC) layer specific to a hydrogen-terminated diamond surface, leading to a successful operation of diamond SC field-effect transistors at 400?C. In order to investigate this excellent passivation effect, we carried out an isotope analysis using D{sub 2}O instead of H{sub 2}O in the ALD and found that the Al{sub 2}O{sub 3} film formed at a conventional temperature (100?C) incorporates 50 times more CH{sub 3} groups than the high-temperature film. This CH{sub 3} is supposed to dissociate from the film when heated afterwards at a higher temperature (550?C) and causes peeling patterns on the H-terminated surface. The high-temperature film is free from this problem and has the largest mass density and dielectric constant among those investigated in this study. The isotope analysis also unveiled a relatively active H-exchange reaction between the diamond H-termination and H{sub 2}O oxidant during the high-temperature ALD, the SC still being kept intact. This dynamic and yet steady H termination is realized by the suppressed oxidation due to the endothermic reaction with H{sub 2}O. Additionally, we not only observed the kinetic isotope effect in the form of reduced growth rate of D{sub 2}O-oxidant ALD but found that the mass density and dielectric constant of D{sub 2}O-grown Al{sub 2}O{sub 3} films are smaller than those of H{sub 2}O-grown films. This is a new type of isotope effect, which is not caused by the presence of isotopes in the films unlike the traditional isotope effects that originate from the presence of isotopes itself. Hence, the high-temperature ALD is very effective in forming Al{sub 2}O{sub 3} films as a passivation and/or gate-insulation layer of high-temperature-operation diamond SC devices, and the knowledge of the

  16. Aluminium Electroplating on Steel from a Fused Bromide Electrolyte

    SciTech Connect

    Prabhat Tripathy; Laura Wurth; Eric Dufek; Toni Y. Gutknecht; Natalie Gese; Paula Hahn; Steven Frank; Guy Fredrickson; J Stephen Herring

    2014-08-01

    A quaternary bromide bath (LiBr-KBr-CsBr-AlBr3) was used to electro-coat aluminium on steel substrates. The electrolyte was prepared by the addition of AlBr3 into the eutectic LiBr-KBr-CsBr melt. A smooth, thick, adherent and shiny aluminium coating could be obtained with 80 wt.% AlBr3 in the ternary melt. The SEM photographs of the coated surfaces suggest the formation of thick and dense coatings with good aluminium coverage. Both salt immersion and open circuit potential measurement suggest that the coatings did display good corrosion-resistance behavior. Annealing of the coated surfaces, prior to corrosion tests, suggested the robustness of the metallic aluminium coating in preventing the corrosion of the steel surfaces. Studies also indicated that the quaternary bromide plating bath can potentially provide a better aluminium coating on both ferrous and non-ferrous metals, including complex surfaces/geometries.

  17. Investigation of the structure of C{sub 60} fullerene halides by the neutron and synchrotron diffraction methods

    SciTech Connect

    Troyanov, S. I.

    2006-10-15

    The crystal and molecular structures of bromofullerenes and chlorofullerenes, namely, C{sub 60}Br{sub 6} . 0.5PhCl . 0.5Br{sub 2}, C{sub 60}Br{sub 8} . TiBr{sub 4} . Br{sub 2}, C{sub 60}Br{sub 24} . Br{sub 2}, and C{sub 60}Cl{sub 24} . TiCl{sub 4}, are determined and refined using neutron and synchrotron diffraction. The interatomic distances are determined with an accuracy higher than the accuracy in the determination of the corresponding parameters for the same molecular structures with the use of X-ray laboratory equipment.

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

    SciTech Connect

    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.

  19. Investigation of arsenic and antimony capping layers, and half cycle reactions during atomic layer deposition of Al{sub 2}O{sub 3} on GaSb(100)

    SciTech Connect

    Zhernokletov, Dmitry M.; Dong, Hong; Brennan, Barry; Kim, Jiyoung; Wallace, Robert M.; Yakimov, Michael; Tokranov, Vadim; Oktyabrsky, Serge

    2013-11-15

    In-situ monochromatic x-ray photoelectron spectroscopy, low energy electron diffraction, ion scattering spectroscopy, and transmission electron microscopy are used to examine the GaSb(100) surfaces grown by molecular beam epitaxy after thermal desorption of a protective As or Sb layer and subsequent atomic layer deposition (ALD) of Al{sub 2}O{sub 3}. An antimony protective layer is found to be more favorable compared to an arsenic capping layer as it prevents As alloys from forming with the GaSb substrate. The evolution of oxide free GaSb/Al{sub 2}O{sub 3} interface is investigated by “half-cycle” ALD reactions of trimethyl aluminum and deionized water.

  20. Ultra-low loading Pt nanocatalysts prepared by atomic layer deposition on carbon aerogels

    SciTech Connect

    King, J S; Wittstock, A; Biener, J; Kucheyev, S O; Wang, Y M; Baumann, T F; Giri, S; Hamza, A V; Baeumer, M; Bent, S F

    2008-04-21

    Using atomic layer deposition (ALD), we show that Pt nanoparticles can be deposited on the inner surfaces of carbon aerogels (CA). The resultant Pt-loaded materials exhibit high catalytic activity for the oxidation of CO even at loading levels as low as {approx}0.05 mg Pt/cm{sup 2}. We observe a conversion efficiency of nearly 100% in the temperatures range 150-250 C, and the total conversion rate seems to be only limited by the thermal stability of our CA support in ambient oxygen. Our ALD approach described here is universal in nature, and can be applied to the design of new catalytic materials for a variety of applications, including fuel cells, hydrogen storage, pollution control, green chemistry, and liquid fuel production.

  1. Designing optical metamaterial with hyperbolic dispersion based on Al:ZnO/ZnO nano-layered structure using Atomic Layer Deposition technique

    DOE PAGES [OSTI]

    Kelly, Priscilla; Liu, Mingzhao; Kuznetsova, Lyuba

    2016-04-07

    In this study, nano-layered Al:ZnO/ZnO hyperbolic dispersion metamaterial with a large number of layers was fabricated using the atomic layer deposition (ALD) technique. Experimental dielectric functions for Al:ZnO/ZnO structures are obtained by an ellipsometry technique in the visible and near-infrared spectral ranges. The theoretical modeling of the Al:ZnO/ZnO dielectric permittivity is done using effective medium approximation. A method for analysis of spectroscopic ellipsometry data is demonstrated to extract the optical permittivity for this highly anisotropic nano-layered metamaterial. The results of the ellipsometry analysis show that Al:ZnO/ZnO structures with a 1:9 ALD cycle ratio exhibit hyperbolic dispersion transition change near 1.8more » μm wavelength.« less

  2. Synthesis and Understanding of Novel Catalysts

    SciTech Connect

    Stair, Peter C.

    2013-07-09

    The research took advantage of our capabilities to perform in-situ and operando Raman spectroscopy on complex systems along with our developing expertise in the synthesis of uniform, supported metal oxide materials to investigate relationships between the catalytically active oxide composition, atomic structure, and support and the corresponding chemical and catalytic properties. The project was organized into two efforts: 1) Synthesis of novel catalyst materials by atomic layer deposition (ALD). 2) Spectroscopic and chemical investigations of coke formation and catalyst deactivation. ALD synthesis was combined with conventional physical characterization, Raman spectroscopy, and probe molecule chemisorption to study the effect of supported metal oxide composition and atomic structure on acid-base and catalytic properties. Operando Raman spectroscopy studies of olefin polymerization leading to coke formation and catalyst deactivation clarified the mechanism of coke formation by acid catalysts.

  3. Hybrid inorganic–organic superlattice structures with atomic layer deposition/molecular layer deposition

    SciTech Connect

    Tynell, Tommi; Yamauchi, Hisao; Karppinen, Maarit

    2014-01-15

    A combination of the atomic layer deposition (ALD) and molecular layer deposition (MLD) techniques is successfully employed to fabricate thin films incorporating superlattice structures that consist of single layers of organic molecules between thicker layers of ZnO. Diethyl zinc and water are used as precursors for the deposition of ZnO by ALD, while three different organic precursors are investigated for the MLD part: hydroquinone, 4-aminophenol and 4,4′-oxydianiline. The successful superlattice formation with all the organic precursors is verified through x-ray reflectivity studies. The effects of the interspersed organic layers/superlattice structure on the electrical and thermoelectric properties of ZnO are investigated through resistivity and Seebeck coefficient measurements at room temperature. The results suggest an increase in carrier concentration for small concentrations of organic layers, while higher concentrations seem to lead to rather large reductions in carrier concentration.

  4. Multilayer moisture barrier

    DOEpatents

    Pankow, Joel W; Jorgensen, Gary J; Terwilliger, Kent M; Glick, Stephen H; Isomaki, Nora; Harkonen, Kari; Turkulainen, Tommy

    2015-04-21

    A moisture barrier, device or product having a moisture barrier or a method of fabricating a moisture barrier having at least a polymer layer, and interfacial layer, and a barrier layer. The polymer layer may be fabricated from any suitable polymer including, but not limited to, fluoropolymers such as polyethylene terephthalate (PET) or polyethylene naphthalate (PEN), or ethylene-tetrafluoroethylene (ETFE). The interfacial layer may be formed by atomic layer deposition (ALD). In embodiments featuring an ALD interfacial layer, the deposited interfacial substance may be, but is not limited to, Al.sub.2O.sub.3, AlSiO.sub.x, TiO.sub.2, and an Al.sub.2O.sub.3/TiO.sub.2 laminate. The barrier layer associated with the interfacial layer may be deposited by plasma enhanced chemical vapor deposition (PECVD). The barrier layer may be a SiO.sub.xN.sub.y film.

  5. Infrared study on room-temperature atomic layer deposition of HfO{sub 2} using tetrakis(ethylmethylamino)hafnium and remote plasma-excited oxidizing agents

    SciTech Connect

    Kanomata, Kensaku [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510, Japan and Japan Society for the Promotion of Science, 5-3-1 Kojimachi, Chiyoda-ku, Tokyo 102-0083 (Japan); Ohba, Hisashi; Pungboon Pansila, P.; Ahmmad, Bashir; Kubota, Shigeru; Hirahara, Kazuhiro; Hirose, Fumihiko, E-mail: fhirose@yz.yamagata-u.ac.jp [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan)

    2015-01-01

    Room-temperature atomic layer deposition (ALD) of HfO{sub 2} was examined using tetrakis (ethylmethylamino)hafnium (TEMAH) and remote plasma-excited water and oxygen. A growth rate of 0.26?nm/cycle at room temperature was achieved, and the TEMAH adsorption and its oxidization on HfO{sub 2} were investigated by multiple internal reflection infrared absorption spectroscopy. It was observed that saturated adsorption of TEMAH occurs at exposures of ?1??10{sup 5}?L (1 L?=?1??10{sup ?6} Torr s) at room temperature, and the use of remote plasma-excited water and oxygen vapor is effective in oxidizing the TEMAH molecules on the HfO{sub 2} surface, to produce OH sites. The infrared study suggested that HfOH plays a role as an adsorption site for TEMAH. The reaction mechanism of room temperature HfO{sub 2} ALD is discussed in this paper.

  6. Electrocatalysts by atomic layer deposition for fuel cell applications

    DOE PAGES [OSTI]

    Cheng, Niancai; Shao, Yuyan; Liu, Jun; Sun, Xueliang

    2016-01-22

    Here, fuel cells are a promising technology solution for reliable and clean energy because they offer high energy conversion efficiency and low emission of pollutants. However, high cost and insufficient durability are considerable challenges for widespread adoption of polymer electrolyte membrane fuel cells (PEMFCs) in practical applications. Current PEMFCs catalysts have been identified as major contributors to both the high cost and limited durability. Atomic layer deposition (ALD) is emerging as a powerful technique for solving these problems due to its exclusive advantages over other methods. In this review, we summarize recent developments of ALD in PEMFCs with a focusmore » on design of materials for improved catalyst activity and durability. New research directions and future trends have also been discussed.« less

  7. Ultra-thin microporous/hybrid materials

    DOEpatents

    Jiang, Ying-Bing; Cecchi, Joseph L.; Brinker, C. Jeffrey

    2012-05-29

    Ultra-thin hybrid and/or microporous materials and methods for their fabrication are provided. In one embodiment, the exemplary hybrid membranes can be formed including successive surface activation and reaction steps on a porous support that is patterned or non-patterned. The surface activation can be performed using remote plasma exposure to locally activate the exterior surfaces of porous support. Organic/inorganic hybrid precursors such as organometallic silane precursors can be condensed on the locally activated exterior surfaces, whereby ALD reactions can then take place between the condensed hybrid precursors and a reactant. Various embodiments can also include an intermittent replacement of ALD precursors during the membrane formation so as to enhance the hybrid molecular network of the membranes.

  8. Resistive switching phenomena in TiO{sub x} nanoparticle layers for memory applications

    SciTech Connect

    Goren, Emanuelle; Tsur, Yoed; Ungureanu, Mariana; Zazpe, Raul; Rozenberg, Marcelo; Hueso, Luis E.; Casanova, Flix; Stoliar, Pablo

    2014-10-06

    Electrical characteristics of a Co/ TiO{sub x}/Co resistive memory device, fabricated by two different methods, are reported. In addition to crystalline TiO{sub 2} layers fabricated via conventional atomic layer deposition (ALD), an alternative method has been examined, where TiO{sub x} nanoparticle layers were fabricated via sol-gel. The different devices have shown different hysteresis loops with a unique crossing point for the sol-gel devices. A simple qualitative model is introduced to describe the different current-voltage behaviours by suggesting only one active metal-oxide interface for the ALD devices and two active metal-oxide interfaces for the sol-gel devices. Furthermore, we show that the resistive switching behaviour could be easily tuned by proper interface engineering and that despite having a similar active material, different fabrication methods can lead to dissimilar resistive switching properties.

  9. Displacement of Hexanol by the Hexanoic Acid Overoxidation Product in Alcohol Oxidation on a Model Supported Palladium Nanoparticle Catalyst

    SciTech Connect

    Buchbinder, Avram M. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Center for Catalysis and Surface Science; Inst. for Catalysis in Energy Processes; Ray, Natalie A. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Center for Catalysis and Surface Science; Lu, Junling [Argonne National Lab. (ANL), Argonne, IL (United States). Energy System Division; Van Duyne, Richard P. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Center for Catalysis and Surface Science; Inst. for Catalysis in Energy Processes; Stair, Peter C. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Center for Catalysis and Surface Science; Inst. for Catalysis in Energy Processes; Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division; Weitz, Eric [Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Center for Catalysis and Surface Science; Inst. for Catalysis in Energy Processes; Geiger, Franz M. [Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Center for Catalysis and Surface Science; Inst. for Catalysis in Energy Processes

    2011-11-09

    This work characterizes the adsorption, structure, and binding mechanism of oxygenated organic species from cyclohexane solution at the liquid/solid interface of optically flat alumina-supported palladium nanoparticle surfaces prepared by atomic layer deposition (ALD). The surface-specific nonlinear optical vibrational spectroscopy, sum-frequency generation (SFG), was used as a probe for adsorption and interfacial molecular structure. 1-Hexanoic acid is an overoxidation product and possible catalyst poison for the aerobic heterogeneous oxidation of 1-hexanol at the liquid/solid interface of Pd/Al?O? catalysts. Single component and competitive adsorption experiments show that 1-hexanoic acid adsorbs to both ALD-prepared alumina surfaces and alumina surfaces with palladium nanoparticles, that were also prepared by ALD, more strongly than does 1-hexanol. Furthermore, 1-hexanoic acid adsorbs with conformational order on ALD-prepared alumina surfaces, but on surfaces with palladium particles the adsorbates exhibit relative disorder at low surface coverage and become more ordered, on average, at higher surface coverage. Although significant differences in binding constant were not observed between surfaces with and without palladium nanoparticles, the palladium particles play an apparent role in controlling adsorbate structures. The disordered adsorption of 1-hexanoic acid most likely occurs on the alumina support, and probably results from modification of binding sites on the alumina, adjacent to the particles. In addition to providing insight on the possibility of catalyst poisoning by the overoxidation product and characterizing changes in its structure that result in only small adsorption energy changes, this work represents a step toward using surface science techniques that bridge the complexity gap between fundamental studies and realistic catalyst models.

  10. 2015 Annual Merit Review, Vehicle Technologies Office

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    D One dimensional 3D Three dimensional A/C Air-Conditioning ABR Advanced Battery Research AC Alternating current ACE Advanced combustion engine ACEC Advanced Combustion and Emissions Control ADP Advanced drying process AEC Automotive Electronics Council AEC Advanced Engine Combustion AFCI Advanced Fuel Cycle Initiative AFDC Alternative Fuels Data Center AFR Air to fuel ratio AFV Alternative fuel vehicle Ah Ampere-hour AKI Anti-knock index Al Aluminum ALD Atomic Layer Deposition AlF 3 Aluminum

  11. Atomic layer deposition grown MO{sub x} thin films for solar water splitting: Prospects and challenges

    SciTech Connect

    Singh, Trilok; Lehnen, Thomas; Leuning, Tessa; Mathur, Sanjay

    2015-01-15

    The magnitude of energy challenge not only calls for efficient devices but also for abundant, inexpensive, and stable photoactive materials that can enable efficient light harvesting, charge separation and collection, as well as chemical transformations. Photoelectrochemical systems based on semiconductor materials have the possibility to transform solar energy directly into chemical energy the so-called “solar hydrogen.” The current challenge lies in the harvesting of a larger fraction of electromagnetic spectrum by enhancing the absorbance of electrode materials. In this context, atomically precise thin films of metal oxide semiconductors and their multilayered junctions are promising candidates to integrate high surface areas with well-defined electrode–substrate interface. Given its self-limited growth mechanism, the atomic layer deposition (ALD) technique offers a wide range of capabilities to deposit and modify materials at the nanoscale. In addition, it opens new frontiers for developing precursor chemistry that is inevitable to design new processes. Herein, the authors review the properties and potential of metal oxide thin films deposited by ALD for their application in photoelectrochemical water splitting application. The first part of the review covers the basics of ALD processes followed by a brief discussion on the electrochemistry of water splitting reaction. The second part focuses on different MO{sub x} films deposited by atomic layer deposition for water splitting applications; in this section, The authors discuss the most explored MO{sub x} semiconductors, namely, Fe{sub 2}O{sub 3}, TiO{sub 2}, WO{sub 3}, and ZnO, as active materials and refer to their application as protective coatings, conductive scaffolds, or in heterojunctions. The third part deals with the current challenges and future prospects of ALD processed MO{sub x} thin films for water splitting reactions.

  12. Postdoctoral Extension Procedures | Argonne National Laboratory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Extension Procedures The Postdoctoral Office at DEP is responsible for processing the postdoctoral appointment extensions. It is important that all Argonne programmatic divisions understand and follow the protocol established to that effect. This document summarizes the procedures and intends to clarify some questions, thus avoiding delays in the process. The procedure, already accepted by the ALD offices across the Laboratory, is as follows: DEP will indicate to the Divisions (two months in

  13. Precise Application of Transparent Conductive Oxide Coatings for Flat Panel

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Displays and Photovoltaic Cells | Argonne National Laboratory Precise Application of Transparent Conductive Oxide Coatings for Flat Panel Displays and Photovoltaic Cells Technology available for licensing: New transparent conducting oxide (TCO) coatings are deposited using atomic layer deposition (ALD). Provides uniform coating of complex, 3D nanostructures such as electrodes for next-generation PV cells Improved coating precision uses less material and reduces cost PDF icon

  14. Nanostructured Photovoltaics: - Energy Innovation Portal

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Solar Photovoltaic Solar Photovoltaic Find More Like This Return to Search Nanostructured Photovoltaics: Atomic Layer Deposition Thin Film Technology Enables Cost Effective Solar Cells Argonne National Laboratory Contact ANL About This Technology <p> Figure 1. Schematic illustration of an Argonne nanostructured photovoltaic device.</p> Figure 1. Schematic illustration of an Argonne nanostructured photovoltaic device. <p> Figure 2. ALD transparent conducting oxide coating on

  15. Tunable Resistance Coatings | Argonne National Laboratory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    The invention relates to tunable resistance coatings: compositions of matter and methods of manufacture of M:AlOx thin films having tunable resistance where M=W, Mo, or conducting compounds containing these metals. Benefits: A conducting material and an insulating material are deposited by such methods as ALD or CVD to construct composites with intermixed materials which do not have structure or properties like their bulk counterparts. The coatings can be tuned to the produce the appropriate

  16. LDRD Project 52523 final report :Atomic layer deposition of highly conformal tribological coatings.

    SciTech Connect

    Jungk, John Michael (University of Minnesota); Dugger, Michael Thomas; George, Steve M. (University of Colorado); Prasad, Somuri V.; Grubbs, Robert K.; Moody, Neville Reid; Mayer, Thomas Michael; Scharf, Thomas W.; Goeke, Ronald S.; Gerberich, William W. (University of Minnesota)

    2005-10-01

    Friction and wear are major concerns in the performance and reliability of micromechanical (MEMS) devices. While a variety of lubricant and wear resistant coatings are known which we might consider for application to MEMS devices, the severe geometric constraints of many micromechanical systems (high aspect ratios, shadowed surfaces) make most deposition methods for friction and wear-resistance coatings impossible. In this program we have produced and evaluate highly conformal, tribological coatings, deposited by atomic layer deposition (ALD), for use on surface micromachined (SMM) and LIGA structures. ALD is a chemical vapor deposition process using sequential exposure of reagents and self-limiting surface chemistry, saturating at a maximum of one monolayer per exposure cycle. The self-limiting chemistry results in conformal coating of high aspect ratio structures, with monolayer precision. ALD of a wide variety of materials is possible, but there have been no studies of structural, mechanical, and tribological properties of these films. We have developed processes for depositing thin (<100 nm) conformal coatings of selected hard and lubricious films (Al2O3, ZnO, WS2, W, and W/Al{sub 2}O{sub 3} nanolaminates), and measured their chemical, physical, mechanical and tribological properties. A significant challenge in this program was to develop instrumentation and quantitative test procedures, which did not exist, for friction, wear, film/substrate adhesion, elastic properties, stress, etc., of extremely thin films and nanolaminates. New scanning probe and nanoindentation techniques have been employed along with detailed mechanics-based models to evaluate these properties at small loads characteristic of microsystem operation. We emphasize deposition processes and fundamental properties of ALD materials, however we have also evaluated applications and film performance for model SMM and LIGA devices.

  17. Indium Oxide Thin Films by Atomic Layer Deposition Using Trimethylindium

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    and Ozone | Argonne National Laboratory Indium Oxide Thin Films by Atomic Layer Deposition Using Trimethylindium and Ozone Title Indium Oxide Thin Films by Atomic Layer Deposition Using Trimethylindium and Ozone Publication Type Journal Article Year of Publication 2016 Authors Mane, AU, Allen, AJ, Kanjolia, RK, Elam, JW Journal Journal of Physical Chemistry C Volume 120 Start Page 9874 Issue 18 Pagination 10 Date Published 04182016 Abstract We investigated the atomic layer deposition (ALD)

  18. Fabrication of AlN/BN bishell hollow nanofibers by electrospinning and atomic layer deposition

    SciTech Connect

    Haider, Ali; Kayaci, Fatma; Uyar, Tamer; Biyikli, Necmi; Ozgit-Akgun, Cagla; Okyay, Ali Kemal

    2014-09-01

    Aluminum nitride (AlN)/boron nitride (BN) bishell hollow nanofibers (HNFs) have been fabricated by successive atomic layer deposition (ALD) of AlN and sequential chemical vapor deposition (CVD) of BN on electrospun polymeric nanofibrous template. A four-step fabrication process was utilized: (i) fabrication of polymeric (nylon 6,6) nanofibers via electrospinning, (ii) hollow cathode plasma-assisted ALD of AlN at 100?C onto electrospun polymeric nanofibers, (iii) calcination at 500?C for 2 h in order to remove the polymeric template, and (iv) sequential CVD growth of BN at 450?C. AlN/BN HNFs have been characterized for their chemical composition, surface morphology, crystal structure, and internal nanostructure using X-ray photoelectron spectroscopy, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy, and selected area electron diffraction. Measurements confirmed the presence of crystalline hexagonal BN and AlN within the three dimensional (3D) network of bishell HNFs with relatively low impurity content. In contrast to the smooth surface of the inner AlN layer, outer BN coating showed a highly rough 3D morphology in the form of BN nano-needle crystallites. It is shown that the combination of electrospinning and plasma-assisted low-temperature ALD/CVD can produce highly controlled multi-layered bishell nitride ceramic hollow nanostructures. While electrospinning enables easy fabrication of nanofibrous template, self-limiting reactions of plasma-assisted ALD and sequential CVD provide control over the wall thicknesses of AlN and BN layers with sub-nanometer accuracy.

  19. Shape-selective catalysts for Fischer-Tropsch chemistry. Final report : January 1, 2001 - December 31, 2008.

    SciTech Connect

    Cronauer, D. C.

    2011-04-11

    Argonne National Laboratory carried out a research program to create, prepare, and evaluate catalysts to promote Fischer-Tropsch (FT) chemistry-specifically, the reaction of hydrogen with carbon monoxide to form long-chain hydrocarbons. In addition to needing high activity, it was desirable that the catalysts have high selectivity and stability with respect to both mechanical strength and aging properties. It was desired that selectivity be directed toward producing diesel fraction components and avoiding excess yields of both light hydrocarbons and heavy waxes. The original goal was to produce shape-selective catalysts that had the potential to limit the formation of long-chain products and yet retain the active metal sites in a protected 'cage.' This cage would also restrict their loss by attrition during use in slurry-bed reactors. The first stage of this program was to prepare and evaluate iron-containing particulate catalysts. Such catalysts were prepared with silica-containing fractal cages. The activity and strength was essentially the same as that of catalysts without the cages. Since there was no improvement, the program plan was modified as discussed below. A second experimental stage was undertaken to prepare and evaluate active FT catalysts formed by atomic-layer deposition [ALD] of active components on supported membranes and particulate supports. The concept was that of depositing active metals (i.e. ruthenium, iron or cobalt) upon membranes with well defined flow channels of small diameter and length such that the catalytic activity and product molecular weight distribution could be controlled. In order to rapidly evaluate the catalytic membranes, the ALD coating processes were performed in an 'exploratory mode' in which ALD procedures from the literature appropriate for coating flat surfaces were applied to the high surface area membranes. Consequently, the Fe and Ru loadings in the membranes were likely to be smaller than those expected for

  20. Controlled Phase and Tunable Magnetism in Ordered Iron Oxide Nanotube Arrays Prepared by Atomic Layer Deposition

    DOE PAGES [OSTI]

    Zhang, Yijun; Liu, Ming; Peng, Bin; Zhou, Ziyao; Chen, Xing; Yang, Shu-Ming; Jiang, Zhuang-De; Zhang, Jie; Ren, Wei; Ye, Zuo-Guang

    2016-01-27

    Highly-ordered and conformal iron oxide nanotube arrays on an atomic scale are successfully prepared by atomic layer deposition (ALD) with controlled oxidization states and tunable magnetic properties between superparamagnetism and ferrimagnetism. Non-magnetic α-Fe2O3 and superparamagnetic Fe2O3with a blocking temperature of 120 K are in-situ obtained by finely controlling the oxidation reaction. Both of them exhibit a very small grain size of only several nanometers due to the nature of atom-by-atom growth of the ALD technique. Post-annealing α-Fe2O3 in a reducing atmosphere leads to the formation of the spinel Fe3O4 phase which displays a distinct ferrimagnetic anisotropy and the Verwey metal-insulatormore » transition that usually takes place only in single crystal magnetite or thick epitaxial films at low temperatures. Finally, the ALD deposition of iron oxide with well-controlled phase and tunable magnetism demonstrated in this work provides a promising opportunity for the fabrication of 3D nano-devices to be used in catalysis, spintronics, microelectronics, data storages and bio-applications.« less

  1. High Gradient Accelerator Cavities Using Atomic Layer Deposition

    SciTech Connect

    Ives, Robert Lawrence; Parsons, Gregory; Williams, Philip; Oldham, Christopher; Mundy, Zach; Dolgashev, Valery

    2014-12-09

    In the Phase I program, Calabazas Creek Research, Inc. (CCR), in collaboration with North Carolina State University (NCSU), fabricated copper accelerator cavities and used Atomic Layer Deposition (ALD) to apply thin metal coatings of tungsten and platinum. It was hypothesized that a tungsten coating would provide a robust surface more resistant to arcing and arc damage. The platinum coating was predicted to reduce processing time by inhibiting oxides that form on copper surfaces soon after machining. Two sets of cavity parts were fabricated. One was coated with 35 nm of tungsten, and the other with approximately 10 nm of platinum. Only the platinum cavity parts could be high power tested during the Phase I program due to schedule and funding constraints. The platinum coated cavity exhibit poor performance when compared with pure copper cavities. Not only did arcing occur at lower power levels, but the processing time was actually longer. There were several issues that contributed to the poor performance. First, machining of the base copper cavity parts failed to achieve the quality and cleanliness standards specified to SLAC National Accelerator Center. Secondly, the ALD facilities were not configured to provide the high levels of cleanliness required. Finally, the nanometer coating applied was likely far too thin to provide the performance required. The coating was ablated or peeled from the surface in regions of high fields. It was concluded that the current ALD process could not provide improved performance over cavities produced at national laboratories using dedicated facilities.

  2. Work function tuning of plasma-enhanced atomic layer deposited WC{sub x}N{sub y} electrodes for metal/oxide/semiconductor devices

    SciTech Connect

    Zonensain, Oren; Fadida, Sivan; Eizenberg, Moshe; Fisher, Ilanit; Gao, Juwen; Chattopadhyay, Kaushik; Harm, Greg; Mountsier, Tom; Danek, Michal

    2015-02-23

    One of the main challenges facing the integration of metals as gate electrodes in advanced MOS devices is control over the Fermi level position at the metal/dielectric interface. In this study, we demonstrate the ability to tune the effective work function (EWF) of W-based electrodes by process modifications of the atomic layer deposited (ALD) films. Tungsten carbo-nitrides (WC{sub x}N{sub y}) films were deposited via plasma-enhanced and/or thermal ALD processes using organometallic precursors. The process modifications enabled us to control the stoichiometry of the WC{sub x}N{sub y} films. Deposition in hydrogen plasma (without nitrogen based reactant) resulted in a stoichiometry of WC{sub 0.4} with primarily W-C chemical bonding, as determined by x-ray photoelectron spectroscopy. These films yielded a relatively low EWF of 4.2 ± 0.1 eV. The introduction of nitrogen based reactant to the plasma or the thermal ALD deposition resulted in a stoichiometry of WC{sub 0.1}N{sub 0.6–0.8} with predominantly W-N chemical bonding. These films produced a high EWF of 4.7 ± 0.1 eV.

  3. Integration of atomic layer deposited high-k dielectrics on GaSb via hydrogen plasma exposure

    SciTech Connect

    Ruppalt, Laura B. Cleveland, Erin R.; Champlain, James G.; Bennett, Brian R.; Prokes, Sharka M.

    2014-12-15

    In this letter we report the efficacy of a hydrogen plasma pretreatment for integrating atomic layer deposited (ALD) high-k dielectric stacks with device-quality p-type GaSb(001) epitaxial layers. Molecular beam eptiaxy-grown GaSb surfaces were subjected to a 30 minute H{sub 2}/Ar plasma treatment and subsequently removed to air. High-k HfO{sub 2} and Al{sub 2}O{sub 3}/HfO{sub 2} bilayer insulating films were then deposited via ALD and samples were processed into standard metal-oxide-semiconductor (MOS) capacitors. The quality of the semiconductor/dielectric interface was probed by current-voltage and variable-frequency admittance measurements. Measurement results indicate that the H{sub 2}-plamsa pretreatment leads to a low density of interface states nearly independent of the deposited dielectric material, suggesting that pre-deposition H{sub 2}-plasma exposure, coupled with ALD of high-k dielectrics, may provide an effective means for achieving high-quality GaSb MOS structures for advanced Sb-based digital and analog electronics.

  4. Comparison of gate dielectric plasma damage from plasma-enhanced atomic layer deposited and magnetron sputtered TiN metal gates

    SciTech Connect

    Brennan, Christopher J.; Neumann, Christopher M.; Vitale, Steven A.

    2015-07-28

    Fully depleted silicon-on-insulator transistors were fabricated using two different metal gate deposition mechanisms to compare plasma damage effects on gate oxide quality. Devices fabricated with both plasma-enhanced atomic-layer-deposited (PE-ALD) TiN gates and magnetron plasma sputtered TiN gates showed very good electrostatics and short-channel characteristics. However, the gate oxide quality was markedly better for PE-ALD TiN. A significant reduction in interface state density was inferred from capacitance-voltage measurements as well as a 1200× reduction in gate leakage current. A high-power magnetron plasma source produces a much higher energetic ion and vacuum ultra-violet (VUV) photon flux to the wafer compared to a low-power inductively coupled PE-ALD source. The ion and VUV photons produce defect states in the bulk of the gate oxide as well as at the oxide-silicon interface, causing higher leakage and potential reliability degradation.

  5. Synthesis of Pt–Pd Core–Shell Nanostructures by Atomic Layer Deposition: Application in Propane Oxidative Dehydrogenation to Propylene

    SciTech Connect

    Lei, Yu; Liu, Bin; Lu, Junling; Lobo-Lapidus, Rodrigo J.; Wu, Tianpin; Feng, Hao; Xia, Xiaoxing; Mane, Anil U.; Libera, Joseph A.; Greeley, Jeffrey P.; Miller, Jeffrey T.; Elam, Jeffrey W.

    2012-08-20

    Atomic layer deposition (ALD) was employed to synthesize supported Pt–Pd bimetallic particles in the 1 to 2 nm range. The metal loading and composition of the supported Pt–Pd nanoparticles were controlled by varying the deposition temperature and by applying ALD metal oxide coatings to modify the support surface chemistry. High-resolution scanning transmission electron microscopy images showed monodispersed Pt–Pd nanoparticles on ALD Al2O3- and TiO2-modified SiO2 gel. X-ray absorption spectroscopy revealed that the bimetallic nanoparticles have a stable Pt-core, Pd-shell nanostructure. Density functional theory calculations revealed that the most stable surface configuration for the Pt–Pd alloys in an H2 environment has a Pt-core, Pd-shell nanostructure. Finally, in comparison to their monometallic counterparts, the small Pt–Pd bimetallic core–shell nanoparticles exhibited higher activity in propane oxidative dehydrogenation as compared to their physical mixture.

  6. Atomic layer deposition precursor step repetition and surface plasma pretreatment influence on semiconductor–insulator–semiconductor heterojunction solar cell

    SciTech Connect

    Talkenberg, Florian Illhardt, Stefan; Schmidl, Gabriele; Schleusener, Alexander; Sivakov, Vladimir; Radnóczi, György Zoltán; Pécz, Béla; Dikhanbayev, Kadyrjan; Mussabek, Gauhar; Gudovskikh, Alexander

    2015-07-15

    Semiconductor–insulator–semiconductor heterojunction solar cells were prepared using atomic layer deposition (ALD) technique. The silicon surface was treated with oxygen and hydrogen plasma in different orders before dielectric layer deposition. A plasma-enhanced ALD process was applied to deposit dielectric Al{sub 2}O{sub 3} on the plasma pretreated n-type Si(100) substrate. Aluminum doped zinc oxide (Al:ZnO or AZO) was deposited by thermal ALD and serves as transparent conductive oxide. Based on transmission electron microscopy studies the presence of thin silicon oxide (SiO{sub x}) layer was detected at the Si/Al{sub 2}O{sub 3} interface. The SiO{sub x} formation depends on the initial growth behavior of Al{sub 2}O{sub 3} and has significant influence on solar cell parameters. The authors demonstrate that a hydrogen plasma pretreatment and a precursor dose step repetition of a single precursor improve the initial growth behavior of Al{sub 2}O{sub 3} and avoid the SiO{sub x} generation. Furthermore, it improves the solar cell performance, which indicates a change of the Si/Al{sub 2}O{sub 3} interface states.

  7. Electronic and optical device applications of hollow cathode plasma assisted atomic layer deposition based GaN thin films

    SciTech Connect

    Bolat, Sami Tekcan, Burak; Ozgit-Akgun, Cagla; Biyikli, Necmi; Okyay, Ali Kemal

    2015-01-15

    Electronic and optoelectronic devices, namely, thin film transistors (TFTs) and metalsemiconductormetal (MSM) photodetectors, based on GaN films grown by hollow cathode plasma-assisted atomic layer deposition (PA-ALD) are demonstrated. Resistivity of GaN thin films and metal-GaN contact resistance are investigated as a function of annealing temperature. Effect of the plasma gas and postmetallization annealing on the performances of the TFTs as well as the effect of the annealing on the performance of MSM photodetectors are studied. Dark current to voltage and responsivity behavior of MSM devices are investigated as well. TFTs with the N{sub 2}/H{sub 2} PA-ALD based GaN channels are observed to have improved stability and transfer characteristics with respect to NH{sub 3} PA-ALD based transistors. Dark current of the MSM photodetectors is suppressed strongly after high-temperature annealing in N{sub 2}:H{sub 2} ambient.

  8. Enhancement of Br ( B d μ + μ - ) / Br ( B s μ + μ - ) in supersymmetric unified models

    SciTech Connect

    Dutta, Bhaskar; Mimura, Yukihiro

    2015-05-14

    We explain the 2.3σ deviation in the recent measurements of the neutral B meson decays into muon pairs from the standard model prediction in the framework of supersymmetric grand unified models using antisymmetric coupling as a new source of flavor violation. We show a correlation between the Bd→μ⁺μ⁻ decay and the CP phase in the Bd→J/ψK decay and that their deviations from the standard model predictions can be explained after satisfying constraints arising from various hadronic and leptonic rare decay processes, B-B¯, K-K¯ oscillation data, and electric dipole moments of electron and neutron. The allowed parameter space is typically represented by pseudoscalar Higgs mass mA≤1 TeV and tanβH(≡vu/vd)≲20 for squark and gluino masses around 2 TeV.

  9. Energy Technology Division research summary 1997.

    SciTech Connect

    1997-10-21

    The Energy Technology Division provides materials and engineering technology support to a wide range of programs important to the US Department of Energy. As shown on the preceding page, the Division is organized into ten sections, five with concentrations in the materials area and five in engineering technology. Materials expertise includes fabrication, mechanical properties, corrosion, friction and lubrication, and irradiation effects. Our major engineering strengths are in heat and mass flow, sensors and instrumentation, nondestructive testing, transportation, and electromechanics and superconductivity applications. The Division Safety Coordinator, Environmental Compliance Officers, Quality Assurance Representative, Financial Administrator, and Communication Coordinator report directly to the Division Director. The Division Director is personally responsible for cultural diversity and is a member of the Laboratory-wide Cultural Diversity Advisory Committee. The Division's capabilities are generally applied to issues associated with energy production, transportation, utilization or conservation, or with environmental issues linked to energy. As shown in the organization chart on the next page, the Division reports administratively to the Associate Laboratory Director (ALD) for Energy and Environmental Science and Technology (EEST) through the General Manager for Environmental and Industrial Technologies. While most of our programs are under the purview of the EEST ALD, we also have had programs funded under every one of the ALDs. Some of our research in superconductivity is funded through the Physical Research Program ALD. We also continue to work on a number of nuclear-energy-related programs under the ALD for Engineering Research. Detailed descriptions of our programs on a section-by-section basis are provided in the remainder of this book. This Overview highlights some major trends. Research related to the operational safety of commercial light water nuclear

  10. Plasma-enhanced atomic layer deposition and etching of high-k gadolinium oxide

    SciTech Connect

    Vitale, Steven A.; Wyatt, Peter W.; Hodson, Chris J.

    2012-01-15

    Atomic layer deposition (ALD) of high-quality gadolinium oxide thin films is achieved using Gd(iPrCp){sub 3} and O{sub 2} plasma. Gd{sub 2}O{sub 3} growth is observed from 150 to 350 deg. C, though the optical properties of the film improve at higher temperature. True layer-by-layer ALD growth of Gd{sub 2}O{sub 3} occurred in a relatively narrow window of temperature and precursor dose. A saturated growth rate of 1.4 A/cycle was observed at 250 deg. C. As the temperature increases, high-quality films are deposited, but the growth mechanism appears to become CVD-like, indicating the onset of precursor decomposition. At 250 deg. C, the refractive index of the film is stable at {approx}1.80 regardless of other deposition conditions, and the measured dispersion characteristics are comparable to those of bulk Gd{sub 2}O{sub 3}. XPS data show that the O/Gd ratio is oxygen deficient at 1.3, and that it is also very hygroscopic. The plasma etching rate of the ALD Gd{sub 2}O{sub 3} film in a high-density helicon reactor is very low. Little difference is observed in etching rate between Cl{sub 2} and pure Ar plasmas, suggesting that physical sputtering dominates the etching. A threshold bias power exists below which etching does not occur; thus it may be possible to etch a metal gate material and stop easily on the Gd{sub 2}O{sub 3} gate dielectric. The Gd{sub 2}O{sub 3} film has a dielectric constant of about 16, exhibits low C-V hysteresis, and allows a 50 x reduction in gate leakage compared to SiO{sub 2}. However, the plasma enhanced atomic layer deposition (PE-ALD) process causes formation of an {approx}1.8 nm SiO{sub 2} interfacial layer, and generates a fixed charge of -1.21 x 10{sup 12} cm{sup -2}, both of which may limit use of PE-ALD Gd{sub 2}O{sub 3} as a gate dielectric.

  11. Atomic layer deposited lithium aluminum oxide: (In)dependency of film properties from pulsing sequence

    SciTech Connect

    Miikkulainen, Ville Nilsen, Ola; Fjellvåg, Helmer; Li, Han; King, Sean W.; Laitinen, Mikko; Sajavaara, Timo

    2015-01-01

    Atomic layer deposition (ALD) holds markedly high potential of becoming the enabling method for achieving the three-dimensional all-solid-state thin-film lithium ion battery (LiB). One of the most crucial components in such a battery is the electrolyte that needs to hold both low electronic conductivity and at least fair lithium ion conductivity being at the same time pinhole free. To obtain these desired properties in an electrolyte film, one necessarily has to have a good control over the elemental composition of the deposited material. The present study reports on the properties of ALD lithium aluminum oxide (Li{sub x}Al{sub y}O{sub z}) thin films. In addition to LiB electrolyte applications, Li{sub x}Al{sub y}O{sub z} is also a candidate low dielectric constant (low-k) etch stop and diffusion barrier material in nanoelectronics applications. The Li{sub x}Al{sub y}O{sub z} films were deposited employing trimethylaluminum-O{sub 3} and lithium tert-butoxide-H{sub 2}O for Al{sub 2}O{sub 3} and Li{sub 2}O/LiOH, respectively. The composition was aimed to be controlled by varying the pulsing ratio of those two binary oxide ALD cycles. The films were characterized by several methods for composition, crystallinity and phase, electrical properties, hardness, porosity, and chemical environment. Regardless of the applied pulsing ratio of Al{sub 2}O{sub 3} and Li{sub 2}O/LiOH, all the studied ALD Li{sub x}Al{sub y}O{sub z} films of 200 and 400 nm in thickness were polycrystalline in the orthorhombic β-LiAlO{sub 2} phase and also very similar to each other with respect to composition and other studied properties. The results are discussed in the context of both fundamental ALD chemistry and applicability of the films as thin-film LiB electrolytes and low-k etch stop and diffusion barriers.

  12. Microsoft Word - NMMSS News DEC 23 08 Update.doc

    National Nuclear Security Administration (NNSA)

    IS SPONSORED BY DOE AND NRC NMMSS news PUBLISHED PERIODICALLY BY & FOR NMMSS USERS December 23, 2008 SPECIAL EDITION NUREG/BR-0007, Rev.6 Published The NRC wishes to inform industry that it has published its update of NUREG/BR-0007. This NUREG was updated to reflect changes to NMMSS reports that become effective January 1, 2009. Link to the updated NUREG: http://www.nrc.gov/reading-rm/doc-collections/nuregs/brochures/br0007/r6/index.html

  13. Apparatus and method for downhole injection of radioactive tracer

    DOEpatents

    Potter, R.M.; Archuleta, J.; Fink, C.F.

    The disclosure relates to downhole injection of radioactive /sup 82/Br and monitoring its progress through fractured structure to determine the nature thereof. An ampule containing granular /sup 82/Br is remotely crushed and water is repeatedly flushed through it to cleanse the instrument as well as inject the /sup 82/Br into surrounding fractured strata. A sensor in a remote horehole reads progress of the radioactive material through fractured structure.

  14. Apparatus and method for downhole injection of radioactive tracer

    DOEpatents

    Potter, Robert M.; Archuleta, Jacobo R.; Fink, Conrad F.

    1983-01-01

    The disclosure relates to downhole injection of radioactive .sup.82 Br and monitoring its progress through fractured structure to determine the nature thereof. An ampule containing granular .sup.82 Br is remotely crushed and water is repeatedly flushed through it to cleanse the instrument as well as inject the .sup.82 Br into surrounding fractured strata. A sensor in a remote borehole reads progress of the radioactive material through fractured structure.

  15. U

    National Nuclear Security Administration (NNSA)

    ...BR-0007, Instructions for the Preparation and Distribution of Material Status Reports. ... to the Nuclear Material Management and Safeguards System, and (3) editorial changes. ...

  16. Property:Incentive/EquipReqs | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    (Electric) - Residential Energy Efficiency Rebate Program (Ohio) + Appliances must be Energy Star<br > ENERGY STAR Heat Pump Replacement: Existing HP must be SEER 13 and HSPF...

  17. DE-AC05-06OR23100

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    referenced Work Authorization(s): Work Authorization Number Work Authorization Title FD04103636 Revision 0 (Attachment 1) B&R No. FD0412000 Completing National Priority List...

  18. DE-AC05-06OR23100

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    referenced Work Authorization(s): Work Authorization Number Work Authorization Title FD04019OR36 ARRA-1 Rev 04 (Attachment 1) B&R No. FD412000 Characterization,...

  19. DE-AC05-06OR23100

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    referenced Work Authorization(s): Work Authorization Number Work Authorization Title FD04019OR36 ARRA-1 Rev 04 (Attachment 1) B&R No. FD0412000 Characterization,...

  20. Property:Incentive/EligSysSize | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    minimum<br > Recycled Energy: 15 Megawatt maximum Alameda Municipal Power - Solar Photovoltaics Rebate Program (California) + Maximum size is 1 MW or 110% of customer's...

  1. Microsoft Word - 09062420 DVP.doc

    Office of Legacy Management (LM)

    ... associated with the determination of total dissolved solids. ... pump and lanyard with tubing and a stainless steel weight. ... Iron Lead Magnesium Manganese Molybdenum BR and CM ...

  2. Microsoft Word - RIN 08071732 08101900_DVP.doc

    Office of Legacy Management (LM)

    ... associated with the determination of total dissolved solids. ... pump and lanyard with tubing and a stainless steel weight. ... Iron Lead Magnesium Manganese Molybdenum BR and CM ...

  3. C:\\Forms\\DOE F 1350.4.cdr

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Equipment (check) 12. Other Equipment (check) 13. If Audio Recording Requested, DOE Br. ... No Projection Services Required Projectors (vu-graph) Projectors: 35mm Audio Tape Player ...

  4. Advanced Heat/Mass Exchanger Technology for Geothermal and solar...

    Energy Saver

    Guide to Developing Air-Cooled Lithium Bromide (LiBr) Absorption for CHP Applications, April 2005 CX-003216: Categorical Exclusion Determination Air-Cooled Condensers for Next ...

  5. hrp

    National Nuclear Security Administration (NNSA)

    Program<br >NNSA possesses approximately half of the Department of Energy (DOE) active personnel security clearances, including 65% of the "Q" (which is for...

  6. Doc...~En.

    Office of Legacy Management (LM)

    ... ..,,..,.... - .. I&i3:scD .::-:, TO-340 .":: ..' . - ' - -. ' . .." ,.. .;.. Very traly yours;, -' .X :, Doc...En. ' Br.:Re&ng ';;a' : , Div. Reading File ., ,, ., ,.-...

  7. Thermodynamic Evaluation of Low-Global Warming Potential Refrigerants...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Warming Potential Refrigerants Mechanical Solutions, Inc.'s ultra-small centrifugal compressor concept will facilitate low-GWP refrigerant adoption.<br >Photo Credit: Mechanical ...

  8. Rotartica | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    (Bizkaia), Spain Zip: 48970 Product: Spain-based, manufacturer of compact LiBr absorption chillers (suitable for detached houses). References: Rotartica1 This article is a...

  9. A=18Ne (1987AJ02)

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    7AJ02) (See Energy Level Diagrams for 18Ne) GENERAL: See (1983AJ01) and Table 18.22 [Table of Energy Levels] (in PDF or PS). Model calculations:(1982ZH01, 1983BR29, 1984SA37, 1985RO1G). Special states:(1982ZH01, 1983BI1C, 1983BR29, 1984SA37, 1985RO1G, 1986AN10, 1986AN07). Electromagnetic transitions:(1982BR24, 1982RI04, 1983BR29, 1985AL21, 1986AN10). Astrophysical questions:(1982WI1B, 1987WI11). Complex reactions involving 18Ne:(1986HA1B). Pion capture and reactions (See also reaction

  10. pnnl

    National Nuclear Security Administration (NNSA)

    caption" ><br >PNNL physicist Bob Runkle (middle) explains the nuances of neutron detection to physics students MatthewMichalak,Univ. of Wisconsin...

  11. nuclear security

    National Nuclear Security Administration (NNSA)

    caption" ><br >PNNL physicist Bob Runkle (middle) explains the nuances of neutron detection to physics students MatthewMichalak,Univ. of Wisconsin...

  12. Doc.~:Ru.

    Office of Legacy Management (LM)

    .' , .' c,j .c; Distriblition: ;. <; ..,:L.D.i&%.ay,FiN-OR00 Doc.:Ru. ,.,. 75. ' Br..Reading 'ire' ,lliv. Read&q File ,: '. ,, .-' . ...: - SURNAME.....

  13. Use Low-Grade Waste Steam to Power Absorption Chillers | Department...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    (LiBr) Absorption for CHP Applications, April 2005 Improving Steam System Performance: A Sourcebook for Industry, Second Edition Flash High-Pressure Condensate to Regenerate Low

  14. Image

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... New Mexico only with the express approval of those ... Rlght of Way br Gas Pipeline, 30 Fef' Vide ., ... :: :: :: :: :: ' , , . : I II II II II II II ...

  15. Vykson Formerly Turbine Developments NI Ltd | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    Vykson Formerly Turbine Developments NI Ltd Jump to: navigation, search Name: Vykson (Formerly Turbine Developments (NI) Ltd) Place: Canterbury, England, United Kingdom Zip: BR6...

  16. Hanford Site C Tank Farm Meeting Summary

    Office of Environmental Management (EM)

    4800 EDTECN: DRF UC: Cost Center: Charge Code: B&R Code: Total Pages: 13 Key Words: Waste Management Area C, Performance Assessment, tank closure, waste inventory...

  17. Hanford Site C Tank Farm Meeting Summary

    Office of Environmental Management (EM)

    EDTECN: DRF UC: Cost Center: Charge Code: B&R Code: Total Pages: 16 Key Words: Waste Management Area C, Perfonnance Assessment, tank closure, waste inventory...

  18. High Performance Buildings Database | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    >Owner: Miller Brothers Construction Inc.<br >

  19. defense

    National Nuclear Security Administration (NNSA)

    >Madelyn Creedon, Assistant Secretary for Global Strategic Affairs<br >Andrew Weber, Assistant Secretary of Defense for Nuclear, Chemical & Biological Defense...

  20. sherwood-randall

    National Nuclear Security Administration (NNSA)

    made stops at several tour locations to get a first-hand look at the advanced manufacturing operations.<br >

  1. Synthesis and catalytic activity of ruthenium(II) complexes containing acetylacetonate

    SciTech Connect

    Paul, B.C.; Sarkhel, P.; Poddar, R.K.

    1995-12-31

    Synthesis and characterisation of complexes of ruthenium(II), [RuBr(acac)L{sub 2}]{sub 2} (L = PPh{sub 3}, AsPh{sub 3}, py; L{sub 2} = bipy or phen) and M{sub 2}[RuBr{sub 3}(acac)] (M = Me{sub 4}N, Cs or Rb) are described. Catalytic oxidations of PPh{sub 3} and AsPh{sub 3} using [RuBr(acac)(PPh{sub 3}){sub 2}]{sub 2} and [RuBr(acac)(AsPh{sub 3}){sub 2}]{sub 2} have been carried out by molecular oxygen. 13 refs., 1 fig., 3 tabs.

  2. Micro-Earthquake At Coso Geothermal Area (2007) | Open Energy...

    OpenEI (Open Energy Information) [EERE & EIA]

    area Julian, B.R.; Foulger, G.R. (1 January 2010) IMPROVED METHODS FOR MAPPING PERMEABILITY AND HEAT SOURCES IN GEOTHERMAL AREAS USING MICROEARTHQUAKE DATA Additional...

  3. Development of a Bio-Based, Inexpensive, Noncorrosive, Nonflammable...

    Energy Saver

    for Sustainable Energy Systems (CSE) in Boston, MA<br > Photo Courtesy of Fraunhofer CSE, Photo Credit: Trent Bell Inside the lab of Fraunhofer Center for Sustainable Energy ...

  4. Property:References | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    F Fault Mapping + Curewitz and Karsen, 1997, http:www.sciencedirect.comsciencearticlepiiS0377027397000279 <br>Caskey and Wesnousky, 2000, http:...

  5. Next Generation Household Refrigerator | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Next Generation Household Refrigerator Next Generation Household Refrigerator Embraco's high efficiency, oil-free linear compressor.<br > Credit: Whirlpool Embraco's high ...

  6. Magnetohydrodynamic

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Magnetocaloric Refrigerator/Freezer Magnetocaloric Refrigerator/Freezer Researchers demonstrate General Electric's magnetocaloric system. <br /> Photo courtesy of General Electric Researchers demonstrate General Electric's magnetocaloric system. Photo courtesy of General Electric Researchers demonstrate General Electric's magnetocaloric system. <br /> Photo courtesy of General Electric Lead Performer: Oak Ridge National Laboratory - Oak Ridge, TN Partner: General Electric -

  7. Recent content in Green Button Applications | OpenEI Community

    OpenEI (Open Energy Information) [EERE & EIA]

    Jun 2012 - 15:45 Blog entry OpenEI green button SDK Vgarud 5 Feb 2013 - 11:17 Question Hi Vivek-<br>>I reached... NickL 8 Feb 2013 - 14:03 Answer Probably the best reference...

  8. Capacity Value: Evaluation of WECC Rule of Thumb; NREL (National Renewable Energy Laboratory)

    SciTech Connect

    Milligan, Michael; Ibanez, Eduardo

    2015-06-09

    This presentation compares loss of load expectation and wind and solar capacity values to the rules of thumb used in the Western Interconnection planning and provides alternative recommendations to the modeling efforts of the Western Electricity Coordinating Council's Transmission Expansion Planning Policy Committee. <br/>/>

  9. Low-temperature atomic layer deposition of Al{sub 2}O{sub 3} on blown polyethylene films with plasma-treated surfaces

    SciTech Connect

    Beom Lee, Gyeong; Sik Son, Kyung; Won Park, Suk; Hyung Shim, Joon; Choi, Byoung-Ho

    2013-01-15

    In this study, a layer of Al{sub 2}O{sub 3} was deposited on blown polyethylene films by atomic layer deposition (ALD) at low temperatures, and the surface characteristics of these Al{sub 2}O{sub 3}-coated blown polyethylene films were analyzed. In order to examine the effects of the plasma treatment of the surfaces of the blown polyethylene films on the properties of the films, both untreated and plasma-treated film samples were prepared under various processing conditions. The surface characteristics of the samples were determined by x-ray photoelectron spectroscopy, as well as by measuring their surface contact angles. It was confirmed that the surfaces of the plasma-treated samples contained a hydroxyl group, which helped the precursor and the polyethylene substrate to bind. ALD of Al{sub 2}O{sub 3} was performed through sequential exposures to trimethylaluminum and H{sub 2}O at 60 Degree-Sign C. The surface morphologies of the Al{sub 2}O{sub 3}-coated blown polyethylene films were observed using atomic force microscopy and scanning electron microscopy/energy-dispersive x-ray spectroscopy. Further, it was confirmed that after ALD, the surface of the plasma-treated film was covered with alumina grains more uniformly than was the case for the surface of the untreated polymer film. It was also confirmed via the focused ion beam technique that the layer Al{sub 2}O{sub 3} conformed to the surface of the blown polyethylene film.

  10. Electronic structure investigation of atomic layer deposition ruthenium(oxide) thin films using photoemission spectroscopy

    SciTech Connect

    Schaefer, Michael E-mail: schlaf@mail.usf.edu; Schlaf, Rudy E-mail: schlaf@mail.usf.edu

    2015-08-14

    Analyzing and manipulating the electronic band line-up of interfaces in novel micro- and nanoelectronic devices is important to achieve further advancement in this field. Such band alignment modifications can be achieved by introducing thin conformal interfacial dipole layers. Atomic layer deposition (ALD), enabling angstrom-precise control over thin film thickness, is an ideal technique for this challenge. Ruthenium (Ru{sup 0}) and its oxide (RuO{sub 2}) have gained interest in the past decade as interfacial dipole layers because of their favorable properties like metal-equivalent work functions, conductivity, etc. In this study, initial results of the electronic structure investigation of ALD Ru{sup 0} and RuO{sub 2} films via photoemission spectroscopy are presented. These experiments give insight into the band alignment, growth behavior, surface structure termination, and dipole formation. The experiments were performed in an integrated vacuum system attached to a home-built, stop-flow type ALD reactor without exposing the samples to the ambient in between deposition and analysis. Bis(ethylcyclopentadienyl)ruthenium(II) was used as precursor and oxygen as reactant. The analysis chamber was outfitted with X-ray photoemission spectroscopy (LIXPS, XPS). The determined growth modes are consistent with a strong growth inhibition situation with a maximum average growth rate of 0.21 Å/cycle for RuO{sub 2} and 0.04 Å/cycle for Ru.{sup 0} An interface dipole of up to −0.93 eV was observed, supporting the assumption of a strongly physisorbed interface. A separate experiment where the surface of a RuO film was sputtered suggests that the surface is terminated by an intermediate, stable, non-stoichiometric RuO{sub 2}/OH compound whose surface is saturated with hydroxyl groups.

  11. Quasi-two-dimensional electron gas at the interface of γ-Al{sub 2}O{sub 3}/SrTiO{sub 3} heterostructures grown by atomic layer deposition

    SciTech Connect

    Ngo, Thong Q.; McDaniel, Martin D.; Ekerdt, John G.; Goble, Nicholas J.; Gao, Xuan P. A.; Posadas, Agham; Kormondy, Kristy J.; Demkov, Alexander A.; Lu, Sirong; Jordan-Sweet, Jean; Smith, David J.

    2015-09-21

    We report the formation of a quasi-two-dimensional electron gas (2-DEG) at the interface of γ-Al{sub 2}O{sub 3}/TiO{sub 2}-terminated SrTiO{sub 3} (STO) grown by atomic layer deposition (ALD). The ALD growth of Al{sub 2}O{sub 3} on STO(001) single crystal substrates was performed at temperatures in the range of 200–345 °C. Trimethylaluminum and water were used as co-reactants. In situ reflection high energy electron diffraction, ex situ x-ray diffraction, and ex situ cross-sectional transmission electron microscopy were used to determine the crystallinity of the Al{sub 2}O{sub 3} films. As-deposited Al{sub 2}O{sub 3} films grown above 300 °C were crystalline with the γ-Al{sub 2}O{sub 3} phase. In situ x-ray photoelectron spectroscopy was used to characterize the Al{sub 2}O{sub 3}/STO interface, indicating that a Ti{sup 3+} feature in the Ti 2p spectrum of STO was formed after 2–3 ALD cycles of Al{sub 2}O{sub 3} at 345 °C and even after the exposure to trimethylaluminum alone at 300 and 345 °C. The interface quasi-2-DEG is metallic and exhibits mobility values of ∼4 and 3000 cm{sup 2} V{sup −1} s{sup −1} at room temperature and 15 K, respectively. The interfacial conductivity depended on the thickness of the Al{sub 2}O{sub 3} layer. The Ti{sup 3+} signal originated from the near-interfacial region and vanished after annealing in an oxygen environment.

  12. Roll-to-roll atomic layer deposition process for flexible electronics encapsulation applications

    SciTech Connect

    Maydannik, Philipp S. Kriinen, Tommi O.; Lahtinen, Kimmo; Cameron, David C.; Sderlund, Mikko; Soininen, Pekka; Johansson, Petri; Kuusipalo, Jurkka; Moro, Lorenza; Zeng, Xianghui

    2014-09-01

    At present flexible electronic devices are under extensive development and, among them, flexible organic light-emitting diode displays are the closest to a large market deployment. One of the remaining unsolved challenges is high throughput production of impermeable flexible transparent barrier layers that protect sensitive light-emitting materials against ambient moisture. The present studies deal with the adaptation of the atomic layer deposition (ALD) process to high-throughput roll-to-roll production using the spatial ALD concept. We report the development of such a process for the deposition of 20?nm thickness Al{sub 2}O{sub 3} diffusion barrier layers on 500?mm wide polymer webs. The process uses trimethylaluminum and water as precursors at a substrate temperature of 105?C. The observation of self-limiting film growth behavior and uniformity of thickness confirms the ALD growth mechanism. Water vapor transmission rates for 20?nm Al{sub 2}O{sub 3} films deposited on polyethylene naphthalate (PEN) substrates were measured as a function of substrate residence time, that is, time of exposure of the substrate to one precursor zone. Moisture permeation levels measured at 38?C/90% relative humidity by coulometric isostaticisobaric method were below the detection limit of the instrument (<5??10{sup ?4}?g/m{sup 2} day) for films coated at web moving speed of 0.25?m/min. Measurements using the Ca test indicated water vapor transmission rates ?5??10{sup ?6} g/m{sup 2} day. Optical measurements on the coated web showed minimum transmission of 80% in the visible range that is the same as the original PEN substrate.

  13. Atomic and molecular layer deposition for surface modification

    SciTech Connect

    Vh-Nissi, Mika; Sievnen, Jenni; Salo, Erkki; Heikkil, Pirjo; Kentt, Eija; Johansson, Leena-Sisko; Koskinen, Jorma T.; Harlin, Ali

    2014-06-01

    Atomic and molecular layer deposition (ALD and MLD, respectively) techniques are based on repeated cycles of gassolid surface reactions. A partial monolayer of atoms or molecules is deposited to the surface during a single deposition cycle, enabling tailored film composition in principle down to molecular resolution on ideal surfaces. Typically ALD/MLD has been used for applications where uniform and pinhole free thin film is a necessity even on 3D surfaces. However, thin even non-uniform atomic and molecular deposited layers can also be used to tailor the surface characteristics of different non-ideal substrates. For example, print quality of inkjet printing on polymer films and penetration of water into porous nonwovens can be adjusted with low-temperature deposited metal oxide. In addition, adhesion of extrusion coated biopolymer to inorganic oxides can be improved with a hybrid layer based on lactic acid. - Graphical abstract: Print quality of a polylactide film surface modified with atomic layer deposition prior to inkjet printing (360 dpi) with an aqueous ink. Number of printed dots illustrated as a function of 0, 5, 15 and 25 deposition cycles of trimethylaluminum and water. - Highlights: ALD/MLD can be used to adjust surface characteristics of films and fiber materials. Hydrophobicity after few deposition cycles of Al{sub 2}O{sub 3} due to e.g. complex formation. Same effect on cellulosic fabrics observed with low temperature deposited TiO{sub 2}. Different film growth and oxidation potential with different precursors. Hybrid layer on inorganic layer can be used to improve adhesion of polymer melt.

  14. Carbon monoxide alleviates ethanol-induced oxidative damage and inflammatory stress through activating p38 MAPK pathway

    SciTech Connect

    Li, Yanyan; Gao, Chao; Shi, Yanru; Tang, Yuhan; Liu, Liang; Xiong, Ting; Du, Min; Xing, Mingyou; Liu, Liegang; Yao, Ping

    2013-11-15

    Stress-inducible protein heme oxygenase-1(HO-1) is well-appreciative to counteract oxidative damage and inflammatory stress involving the pathogenesis of alcoholic liver diseases (ALD). The potential role and signaling pathways of HO-1 metabolite carbon monoxide (CO), however, still remained unclear. To explore the precise mechanisms, ethanol-dosed adult male Balb/c mice (5.0 g/kg.bw.) or ethanol-incubated primary rat hepatocytes (100 mmol/L) were pretreated by tricarbonyldichlororuthenium (II) dimmer (CORM-2, 8 mg/kg for mice or 20 μmol/L for hepatocytes), as well as other pharmacological reagents. Our data showed that CO released from HO-1 induction by quercetin prevented ethanol-derived oxidative injury, which was abolished by CO scavenger hemoglobin. The protection was mimicked by CORM-2 with the attenuation of GSH depletion, SOD inactivation, MDA overproduction, and the leakage of AST, ALT or LDH in serum and culture medium induced by ethanol. Moreover, CORM-2 injection or incubation stimulated p38 phosphorylation and suppressed abnormal Tnfa and IL-6, accompanying the alleviation of redox imbalance induced by ethanol and aggravated by inflammatory factors. The protective role of CORM-2 was abolished by SB203580 (p38 inhibitor) but not by PD98059 (ERK inhibitor) or SP600125 (JNK inhibitor). Thus, HO-1 released CO prevented ethanol-elicited hepatic oxidative damage and inflammatory stress through activating p38 MAPK pathway, suggesting a potential therapeutic role of gaseous signal molecule on ALD induced by naturally occurring phytochemicals. - Highlights: • CO alleviated ethanol-derived liver oxidative and inflammatory stress in mice. • CO eased ethanol and inflammatory factor-induced oxidative damage in hepatocytes. • The p38 MAPK is a key signaling mechanism for the protective function of CO in ALD.

  15. Lipidomic changes in rat liver after long-term exposure to ethanol

    SciTech Connect

    Fernando, Harshica; Bhopale, Kamlesh K.; Kondraganti, Shakuntala; Kaphalia, Bhupendra S.; Shakeel Ansari, G.A.

    2011-09-01

    Alcoholic liver disease (ALD) is a serious health problem with significant morbidity and mortality. In this study we examined the progression of ALD along with lipidomic changes in rats fed ethanol for 2 and 3 months to understand the mechanism, and identify possible biomarkers. Male Fischer 344 rats were fed 5% ethanol or caloric equivalent of maltose-dextrin in a Lieber-DeCarli diet. Animals were killed at the end of 2 and 3 months and plasma and livers were collected. Portions of the liver were fixed for histological and immunohistological studies. Plasma and the liver lipids were extracted and analyzed by nuclear magnetic resonance (NMR) spectroscopy. A time dependent fatty infiltration was observed in the livers of ethanol-fed rats. Mild inflammation and oxidative stress were observed in some ethanol-fed rats at 3 months. The multivariate and principal component analysis of proton and phosphorus NMR spectroscopy data of extracted lipids from the plasma and livers showed segregation of ethanol-fed groups from the pair-fed controls. Significant hepatic lipids that were increased by ethanol exposure included fatty acids and triglycerides, whereas phosphatidylcholine (PC) decreased. However, both free fatty acids and PC decreased in the plasma. In liver lipids unsaturation of fatty acyl chains increased, contrary to plasma, where it decreased. Our studies confirm that over-accumulation of lipids in ethanol-induced liver steatosis accompanied by mild inflammation on long duration of ethanol exposure. Identified metabolic profile using NMR lipidomics could be further explored to establish biomarker signatures representing the etiopathogenesis, progression and/or severity of ALD. - Highlights: > Long term exposure to ethanol was studied. > A nuclear magnetic resonance (NMR) spectroscopy based lipidomic approach was used. > We examined the clustering pattern of the NMR data with principal component analysis. > NMR data were compared with histology and

  16. High-reliability passivation of hydrogen-terminated diamond surface by atomic layer deposition of Al{sub 2}O{sub 3}

    SciTech Connect

    Daicho, Akira Saito, Tatsuya; Kurihara, Shinichiro; Kawarada, Hiroshi; Hiraiwa, Atsushi

    2014-06-14

    Although the two-dimensional hole gas (2DHG) of a hydrogen-terminated diamond surface provides a unique p-type conducting layer for high-performance transistors, the conductivity is highly sensitive to its environment. Therefore, the surface must be passivated to preserve the 2DHG, especially at high temperature. We passivated the surface at high temperature (450?C) without the loss of C-H surface bonds by atomic layer deposition (ALD) and investigated the thermal reliability of the Al{sub 2}O{sub 3} film. As a result, C-H bonds were preserved, and the hole accumulation effect appeared after the Al{sub 2}O{sub 3} deposition by ALD with H{sub 2}O as an oxidant. The sheet resistivity and hole density were almost constant between room temperature and 500?C by the passivation with thick Al{sub 2}O{sub 3} film thicker than 38?nm deposited by ALD at 450?C. After the annealing at 550?C in air The sheet resistivity and hole density were preserved. These results indicate the possibility of high-temperature application of the C-H surface diamond device in air. In the case of lower deposition temperatures, the sheet resistivity increased after air annealing, suggesting an insufficient protection capability of these films. Given the result of sheet resistivity after annealing, the increase in the sheet resistivity of these samples was not greatly significant. However, bubble like patterns were observed in the Al{sub 2}O{sub 3} films formed from 200 to 400?C by air annealing at 550?C for 1 h. On the other hand, the patterns were no longer observed at 450?C deposition. Thus, this 450?C deposition is the sole solution to enabling power device application, which requires high reliability at high temperatures.

  17. Local environment in poly(ethylene oxide)-zinc bromide complexes

    SciTech Connect

    Chintipalli, S.; Frech, R.; Grady, B.

    1996-12-31

    This study examines atomic-level local environments in Poly(ethylene oxide)-zinc bromide+lithium bromide (PEO){sub 20}[(ZnBr{sub 2}){sub 1-x} (LiBr){sub x}] complexes using Raman spectroscopy and x-ray absorption spectroscopy (XAS). Specific features in the Raman spectra were used to show that the zinc bromide species changes from ZnBr{sub 2} to ZnBr{sub 3}{sup -} to ZnBr{sub 4}{sup 2-} when x is varied from 0 to 0.8. XAS showed a similar change in oxygen coordination number from 4 to 0 when x is varied from 0 to 0.8. This study shows that lithium atoms displace zinc atoms from ether oxygen speciation indicating that lithium coordination to ether oxygens is thermodynamically favored. The effect of adding polar plasticizers is also discussed.

  18. Chamber wall interactions with HBr/Cl{sub 2}/O{sub 2} plasmas

    SciTech Connect

    Srivastava, Ashutosh K.; Ohashi, Tomohiro; Donnelly, Vincent M.

    2015-07-15

    The authors have studied the interaction of HBr/Cl{sub 2}/O{sub 2} inductively coupled plasmas with reactor chamber wall deposits, with and without Si etching, using the spinning wall technique. The spinning wall is part of the reactor chamber walls, allowing near-real-time analysis of the composition of surface layers via Auger electron spectrometry and determination of species desorbing off the walls by mass spectrometry. In HBr plasmas with no bias voltage on the Si substrate, and hence no Si etching, HBr is ?30% dissociated, and H{sub 2} and Br{sub 2} form in the plasma. Layers deposited on the reactor chamber contained little if any Br under these conditions. Adding O{sub 2} to an HBr plasma leads to formation of H{sub 2}O and increased Br{sub 2} (compared to a pure HBr plasma) products that desorb from the spinning wall. H{sub 2}O has a very long residence time on the surface. With bias voltage applied to the Si substrate in an HBr plasma, mass spectrometer signals are prominent for SiBr and SiBr{sub 3}, and weaker for SiBr{sub 2}, SiBr{sub 4}, Si{sub 2}Br{sub 4}, Si{sub 2}Br{sub 5}, and Si{sub 2}OBr{sub 5}. Under these conditions, a SiO{sub x}Br{sub y} layer deposits on the spinning wall. Adding 20% O{sub 2} to HBr stops etching and eliminates Br from the surface layer, indicating that Br on the reactor walls is a result of SiBr{sub x} impingement and not from bromination by impinging Br. With HBr/Cl{sub 2} plasmas and no bias on the stage, a SiO{sub x}Cl{sub y} layer deposits, and no Br is detected. HCl, BrCl, and Br{sub 2} were detected in the line-of-sight leak, around the spinning wall, of a HBr/Cl{sub 2} (1:1) gas mixture in the absence of a plasma. Residence time analysis of species in the chamber and a change in the product distribution with a change in the composition of the layer deposited on the chamber wall suggest that reactions forming these products in the absence of a plasma occur on the reactor walls. With a plasma and bias on the Si

  19. ATLAS Science and Technology Review

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    th Anniversary Celebration October 22-23, 2010 Physics Division, Argonne National Laboratory Building 203, Auditorium Friday, October 22: The Past as Prologue 8:00 - 8:30 Registration and coffee Chair: R.V.F. Janssens 8:30 - 8:45 Welcome by Laboratory Director and ALD E. Isaacs/S. Streiffer 8:45 - 9:30 Summary of the History of ATLAS W.F. Henning Chair: B.B. Back 9:30 - 10:30 Reminiscences 10:30 - 10:50 Break Chair: J. Nolen 10:50 - 11:25 The Impact of ATLAS on SRF Development and Applications

  20. SSRL HEADLINES February 2013

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    8 - February 2013 View the Archives **Note for Outlook users: For easier reading, please click the bar at the top of this message that reads "This message was converted to plain text" and select "Display as HTML."** From Director PieroPianetta I'm writing this column as acting Associate Lab Director for SLAC's Stanford Synchrotron Radiation Lightsource Directorate, a role I stepped into in November, when then-ALD Chi-Chang Kao became director of the laboratory. As many of you

  1. Methods for simultaneous control of lignin content and composition, and cellulose content in plants

    DOEpatents

    Chiang, Vincent Lee C.; Li, Laigeng

    2005-02-15

    The present invention relates to a method of concurrently introducing multiple genes into plants and trees is provided. The method includes simultaneous transformation of plants with multiple genes from the phenylpropanoid pathways including 4CL, CAld5H, AldOMT, SAD and CAD genes and combinations thereof to produce various lines of transgenic plants displaying altered agronomic traits. The agronomic traits of the plants are regulated by the orientation of the specific genes and the selected gene combinations, which are incorporated into the plant genome.

  2. Accelerated deployment of nanostructured hydrotreating catalysts. Final CRADA Report.

    SciTech Connect

    Libera, J.A.; Snyder, S.W.; Mane, A.; Elam, J.W.; Cronauer, D.C.; Muntean, J.A.; Wu, T.; Miller, J.T.

    2012-08-27

    Nanomanufacturing offers an opportunity to create domestic jobs and facilitate economic growth. In response to this need, U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy issued a Research Call to develop nanomanufacturing capabilities at the National Laboratories. High performance catalysts represent a unique opportunity to deploy nanomanufacturing technologies. Re-refining of used lube oil offers an opportunity to create manufacturing jobs and decrease dependence on imported petroleum. Improved catalysts are required to produce a better quality product, decrease environmental impact, extend catalyst life, and improve overall economics of lube oil re-refining. Argonne National Laboratory (Argonne) in cooperation with Universal Lubricants, Inc. (ULI) and Chemical Engineering Partners (CEP) have carried out a Cooperative Research and Development Agreement (CRADA) to prepare nanostructured hydrotreating catalysts using atomic layer deposition (ALD) to exhibit superior performance for the re-refining of used lube oil. We investigated the upgrading of recycled lube oil by hydrogenation using commercial, synthetically-modified commercial catalysts, and synthesized catalysts. A down-flow (trickle bed) catalytic unit was used for the hydrogenation experiments. In addition to carrying out elemental analyses of the various feed and product fractions, characterization was undertaken using H{sup 1} and C{sup 13} NMR. Initially commercial were evaluated. Second these commercial catalysts were promoted with precious metals using atomic layer deposition (ALD). Performance improvements were observed that declined with catalyst aging. An alternate approach was undertaken to deeply upgrade ULI product oils. Using a synthesized catalyst, much lower hydrogenation temperatures were required than commercial catalysts. Other performance improvements were also observed. The resulting lube oil fractions were of high purity even at low reaction severity. The

  3. Tunable Resistance Coatings | Argonne National Laboratory

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    A method and article of manufacture of intermixed tunable resistance composite materials containing at least one of W:Al.sub.2O.sub.3, Mo:Al.sub.2O.sub.3 or M:Al.sub.2O.sub.3 where M is a conducting compound containing either W or Mo. Benefits: A conducting material and an insulating material are deposited by such methods as ALD or CVD to construct composites with intermixed materials which do not have structure or properties like their bulk counterparts. The coatings can be tuned to the produce

  4. Electrolyte effects in Li(Si)/FeS{sub 2} thermal batteries

    SciTech Connect

    Guidotti, R.A.; Reinhardt, F.W.

    1994-10-01

    The most common electrochemical couple for thermally activated (``thermal``) batteries is the Li-alloy/FeS{sub 2} system. The most common Li-alloys used for anodes are 20% Li-80% Al and 44% Li-56% Si (by weight); liquid Li immobilized with iron powder has also been used. The standard electrolyte that has been used in thermal batteries over the years is the LiCl-KCl eutectic that melts at 352{degrees}C. The LiCl-LiBr-LiF eutectic had the best rate and power characteristics. This electrolyte melts at 436{degrees}C and shows very low polarization because of the absence of Li+ gradients common with the LiCl-KCl eutectic. The low-melting electrolytes examined included a KBr-LiBr-LiCl eutectic (melting at 321{degrees}C), a LiBr-KBr-LiF eutectic (melting at 313{degrees}C), and a CsBr-LiBr-KBr eutectic (melting at 238{degrees}C). The CsBr-based salt had poor conductivity and was not studied further. The LiBr-KBr-LiF eutectic outperformed the KBr-LiBr-LiCl eutectic and was selected for more extensive testing. Because of their lower melting points and larger liquidi relative to the LiCl-KCl eutectic, the low-melting electrolytes are prime candidates for long-life applications (i.e., for activated lives of one hour or more). This paper will detail the relative performance of the Li(Si)/FeS{sub 2} couple using primarily the LiCl-KCl (standard) eutectic, the LiCl-LiBr-LiF (all-Li) eutectic, and the LiBr-KBr-LiF (low-melting) eutectic electrolytes. Most of the tests were conducted with 5-cell batteries; validation tests were also carried out with appropriate full-sized batteries.

  5. Raman spectral studies of aqueous zinc bromide solutions to 300/sup 0/C at pressures of 9 MPa

    SciTech Connect

    Yang, M.M.; Crerar, D.A.; Irish, D.E.

    1988-08-01

    A Raman spectral study of 14 solutions of varying bromide to zinc ratios was conducted up to 300/sup 0/C and 9 MPa. The tetra-, tri-, di- as well as the mono-bromozinc complexes were identified. The signal from the ZnBr/sup +/ complex increased in intensity as temperature increased, for solutions of low bromide- to-zinc ratios. The ZnBr/sub 4//sup 2 -/ species was favored at higher Br/Zn ratios, and higher temperatures favored the formation of the species ZnBr/sub 2/ and ZnBr/sup +/ at the expense of ZnBr/sub 4//sup 2 -/ and ZnBr/sub 3//sup -/. Although solvated water is probably present in these zinc-bromo complexes, they found no evidence of O-Zn vibrations other than for Zn(H/sub 2/O)/sub 6//sup 2 +/. However, spectra of successive dilutions of solutions with high bromide to zinc ratios show a relative change in species populations thereby suggesting that water activity plays a decisive role in complex formation. For the first time trifluoromethanesulfonic acid (HTFMS) has been used as an internal standard in Raman spectroscopy. This permitted quantitative measurement of stepwise stability constants.

  6. Low sheet resistance titanium nitride films by low-temperature plasma-enhanced atomic layer deposition using design of experiments methodology

    SciTech Connect

    Burke, Micheal Blake, Alan; Povey, Ian M.; Schmidt, Michael; Petkov, Nikolay; Carolan, Patrick; Quinn, Aidan J.

    2014-05-15

    A design of experiments methodology was used to optimize the sheet resistance of titanium nitride (TiN) films produced by plasma-enhanced atomic layer deposition (PE-ALD) using a tetrakis(dimethylamino)titanium precursor in a N{sub 2}/H{sub 2} plasma at low temperature (250 °C). At fixed chamber pressure (300 mTorr) and plasma power (300 W), the plasma duration and N{sub 2} flow rate were the most significant factors. The lowest sheet resistance values (163 Ω/sq. for a 20 nm TiN film) were obtained using plasma durations ∼40 s, N{sub 2} flow rates >60 standard cubic centimeters per minute, and purge times ∼60 s. Time of flight secondary ion mass spectroscopy data revealed reduced levels of carbon contaminants in the TiN films with lowest sheet resistance (163 Ω/sq.), compared to films with higher sheet resistance (400–600 Ω/sq.) while transmission electron microscopy data showed a higher density of nanocrystallites in the low-resistance films. Further significant reductions in sheet resistance, from 163 Ω/sq. to 70 Ω/sq. for a 20 nm TiN film (corresponding resistivity ∼145 μΩ·cm), were achieved by addition of a postcycle Ar/N{sub 2} plasma step in the PE-ALD process.

  7. High aspect ratio iridescent three-dimensional metal–insulator–metal capacitors using atomic layer deposition

    SciTech Connect

    Burke, Micheal Blake, Alan; Djara, Vladimir; O'Connell, Dan; Povey, Ian M.; Cherkaoui, Karim; Monaghan, Scott; Scully, Jim; Murphy, Richard; Hurley, Paul K.; Pemble, Martyn E.; Quinn, Aidan J.

    2015-01-01

    The authors report on the structural and electrical properties of TiN/Al{sub 2}O{sub 3}/TiN metal–insulator–metal (MIM) capacitor structures in submicron three-dimensional (3D) trench geometries with an aspect ratio of ∼30. A simplified process route was employed where the three layers for the MIM stack were deposited using atomic layer deposition (ALD) in a single run at a process temperature of 250 °C. The TiN top and bottom electrodes were deposited via plasma-enhanced ALD using a tetrakis(dimethylamino)titanium precursor. 3D trench devices yielded capacitance densities of 36 fF/μm{sup 2} and quality factors >65 at low frequency (200 Hz), with low leakage current densities (<3 nA/cm{sup 2} at 1 V). These devices also show strong optical iridescence which, when combined with the covert embedded capacitance, show potential for system in package (SiP) anticounterfeiting applications.

  8. Influence of PEDOT:PSS on the effectiveness of barrier layers prepared by atomic layer deposition in organic light emitting diodes

    SciTech Connect

    Wegler, Barbara; Schmidt, Oliver; Hensel, Bernhard

    2015-01-15

    Organic light emitting diodes (OLEDs) are well suited for energy saving lighting applications, especially when thinking about highly flexible and large area devices. In order to avoid the degradation of the organic components by water and oxygen, OLEDs need to be encapsulated, e.g., by a thin sheet of glass. As the device is then no longer flexible, alternative coatings are required. Atomic layer deposition (ALD) is a very promising approach in this respect. The authors studied OLEDs that were encapsulated by 100 nm Al{sub 2}O{sub 3} deposited by ALD. The authors show that this coating effectively protects the active surface area of the OLEDs from humidity. However, secondary degradation processes still occur at sharp edges of the OLED stack where the extremely thin encapsulation layer does not provide perfect coverage. Particularly, the swelling of poly(3,4-ethylenedioxythiophene) mixed with poly(styrenesulfonate), which is a popular choice for the planarization of the bottom electrode and at the same time acts as a hole injection layer, affects the effectiveness of the encapsulation layer.

  9. Ultrathin body GaSb-on-insulator p-channel metal-oxide-semiconductor field-effect transistors on Si fabricated by direct wafer bonding

    SciTech Connect

    Yokoyama, Masafumi Takenaka, Mitsuru; Takagi, Shinichi; Yokoyama, Haruki

    2015-02-16

    We have realized ultrathin body GaSb-on-insulator (GaSb-OI) on Si wafers by direct wafer bonding technology using atomic-layer deposition (ALD) Al{sub 2}O{sub 3} and have demonstrated GaSb-OI p-channel metal-oxide-semiconductor field-effect transistors (p-MOSFETs) on Si. A 23-nm-thick GaSb-OI p-MOSFET exhibits the peak effective mobility of ∼76 cm{sup 2}/V s. We have found that the effective hole mobility of the thin-body GaSb-OI p-MOSFETs decreases with a decrease in the GaSb-OI thickness or with an increase in Al{sub 2}O{sub 3} ALD temperature. The InAs passivation of GaSb-OI MOS interfaces can enhance the peak effective mobility up to 159 cm{sup 2}/V s for GaSb-OI p-MOSFETs with the 20-nm-thick GaSb layer.

  10. Core-shell Si@TiO2 nanosphere anode by atomic layer deposition for Li-ion batteries

    DOE PAGES [OSTI]

    Dai, Sheng

    2016-01-28

    Silicon (Si) is regarded as next-generation anode for high-energy lithium-ion batteries (LIBs) due to its high Li storage capacity (4200 mA h g-1). However, the mechanical degradation and resultant capacity fade critically hinder its practical application. In this regard, we demonstrate that nanocoating of Si spheres with a 3 nm titanium dioxide (TiO2) layer via atomic layer deposition (ALD) can utmostly balance the high conductivity and the good structural stability to improve the cycling stability of Si core material. The resultant sample, Si@TiO2-3 nm core–shell nanospheres, exhibits the best electrochemical performance of all with a highest initial Coulombic efficiency andmore » specific charge capacity retention after 50 cycles at 0.1C (82.39% and 1580.3 mA h g-1). In addition to making full advantage of the ALD technique, we believe that our strategy and comprehension in coating the electrode and the active material could provide a useful pathway towards enhancing Si anode material itself and community of LIBs.« less

  11. C-H surface diamond field effect transistors for high temperature (400 °C) and high voltage (500 V) operation

    SciTech Connect

    Kawarada, H.; Tsuboi, H.; Naruo, T.; Yamada, T.; Xu, D.; Daicho, A.; Saito, T.; Hiraiwa, A.

    2014-07-07

    By forming a highly stable Al{sub 2}O{sub 3} gate oxide on a C-H bonded channel of diamond, high-temperature, and high-voltage metal-oxide-semiconductor field-effect transistor (MOSFET) has been realized. From room temperature to 400 °C (673 K), the variation of maximum drain-current is within 30% at a given gate bias. The maximum breakdown voltage (V{sub B}) of the MOSFET without a field plate is 600 V at a gate-drain distance (L{sub GD}) of 7 μm. We fabricated some MOSFETs for which V{sub B}/L{sub GD} > 100 V/μm. These values are comparable to those of lateral SiC or GaN FETs. The Al{sub 2}O{sub 3} was deposited on the C-H surface by atomic layer deposition (ALD) at 450 °C using H{sub 2}O as an oxidant. The ALD at relatively high temperature results in stable p-type conduction and FET operation at 400 °C in vacuum. The drain current density and transconductance normalized by the gate width are almost constant from room temperature to 400 °C in vacuum and are about 10 times higher than those of boron-doped diamond FETs.

  12. The role of the substrate on the dispersion in accumulation in III-V compound semiconductor based metal-oxide-semiconductor gate stacks

    SciTech Connect

    Krylov, Igor; Ritter, Dan; Eizenberg, Moshe

    2015-09-07

    Dispersion in accumulation is a widely observed phenomenon in metal-oxide-semiconductor gate stacks based on III-V compound semiconductors. The physical origin of this phenomenon is attributed to border traps located in the dielectric material adjacent to the semiconductor. Here, we study the role of the semiconductor substrate on the electrical quality of the first layers at atomic layer deposited (ALD) dielectrics. For this purpose, either Al{sub 2}O{sub 3} or HfO{sub 2} dielectrics with variable thicknesses were deposited simultaneously on two technology important semiconductors—InGaAs and InP. Significantly larger dispersion was observed in InP based gate stacks compared to those based on InGaAs. The observed difference is attributed to a higher border trap density in dielectrics deposited on InP compared to those deposited on InGaAs. We therefore conclude that the substrate plays an important role in the determination of the electrical quality of the first dielectric monolayers deposited by ALD. An additional observation is that larger dispersion was obtained in HfO{sub 2} based capacitors compared to Al{sub 2}O{sub 3} based capacitors, deposited on the same semiconductor. This phenomenon is attributed to the lower conduction band offset rather than to a higher border trap density.

  13. Amorphous alumina thin films deposited on titanium: Interfacial chemistry and thermal oxidation barrier properties

    DOE PAGES [OSTI]

    Baggetto, Loic; Charvillat, Cedric; Thebault, Yannick; Esvan, Jerome; Lafont, Marie-Christine; Scheid, Emmanuel; Veith, Gabriel M.; Vahlas, Constantin

    2015-12-02

    Ti/Al2O3 bilayer stacks are used as model systems to investigate the role of atomic layer deposition (ALD) and chemical vapor deposition (CVD) to prepare 30-180 nm thick amorphous alumina films as protective barriers for the medium temperature oxidation (500-600⁰C) of titanium, which is employed in aeronautic applications. X-ray diffraction (XRD), transmission electron microscopy (TEM) with selected area electron diffraction (SAED), and X-ray photoelectron spectroscopy (XPS) results show that the films produced from the direct liquid injection (DLI) CVD of aluminum tri-isopropoxide (ATI) are poor oxygen barriers. The films processed using the ALD of trimethylaluminum (TMA) show good barrier properties butmore » an extensive intermixing with Ti which subsequently oxidizes. In contrast, the films prepared from dimethyl aluminum isopropoxide (DMAI) by CVD are excellent oxygen barriers and show little intermixing with Ti. Overall, these measurements correlate the effect of the alumina coating thickness, morphology, and stoichiometry resulting from the preparation method to the oxidation barrier properties, and show that compact and stoichiometric amorphous alumina films offer superior barrier properties.« less

  14. Excellent c-Si surface passivation by low-temperature atomic layer deposited titanium oxide

    SciTech Connect

    Liao, Baochen; Hoex, Bram; Aberle, Armin G.; Bhatia, Charanjit S.; Chi, Dongzhi

    2014-06-23

    In this work, we demonstrate that thermal atomic layer deposited (ALD) titanium oxide (TiO{sub x}) films are able to provide a—up to now unprecedented—level of surface passivation on undiffused low-resistivity crystalline silicon (c-Si). The surface passivation provided by the ALD TiO{sub x} films is activated by a post-deposition anneal and subsequent light soaking treatment. Ultralow effective surface recombination velocities down to 2.8 cm/s and 8.3 cm/s, respectively, are achieved on n-type and p-type float-zone c-Si wafers. Detailed analysis confirms that the TiO{sub x} films are nearly stoichiometric, have no significant level of contaminants, and are of amorphous nature. The passivation is found to be stable after storage in the dark for eight months. These results demonstrate that TiO{sub x} films are also capable of providing excellent passivation of undiffused c-Si surfaces on a comparable level to thermal silicon oxide, silicon nitride, and aluminum oxide. In addition, it is well known that TiO{sub x} has an optimal refractive index of 2.4 in the visible range for glass encapsulated solar cells, as well as a low extinction coefficient. Thus, the results presented in this work could facilitate the re-emergence of TiO{sub x} in the field of high-efficiency silicon wafer solar cells.

  15. Characterization of ZnO film grown on polycarbonate by atomic layer deposition at low temperature

    SciTech Connect

    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.

  16. Atomic layer deposition effect on the electrical properties of Al{sub 2}O{sub 3}-passivated PbS quantum dot field-effect transistors

    SciTech Connect

    So, Hye-Mi; Shim, Hyung Cheoul; Choi, Hyekyoung; Lee, Seung-Mo; Jeong, Sohee; Chang, Won Seok

    2015-03-02

    We have investigated the effect of atomic layer deposition (ALD) on the electrical properties of colloidal PbS quantum dot field-effect transistors (PbS QD-FETs). Low-temperature Al{sub 2}O{sub 3} ALD process was used to fill up the pore spaces of PbS QD films containing 1, 2-ethanedithiol ligands. Upon deposition of Al{sub 2}O{sub 3} on PbS film, the PbS QD-FETs showed ambipolar behavior. The treated film retained this property for over 2 months, despite of exposure to air. This change in the electrical properties of the PbS QD-FETs is attributed to the formation of electron channels in the Al{sub 2}O{sub 3}-passivated PbS film. We conclude that these electron transport channels in the Al{sub x}O{sub y}-PbS film are formed due to substitution of the Pb sites by Al metal and chemical reduction of Pb{sup 2+} ions, as determined by an analysis of the depth profile of the film using secondary ion mass spectrometry and X-ray photoelectron spectroscopy.

  17. Epitaxial c-axis oriented BaTiO{sub 3} thin films on SrTiO{sub 3}-buffered Si(001) by atomic layer deposition

    SciTech Connect

    Ngo, Thong Q.; McDaniel, Martin D.; Ekerdt, John G., E-mail: ekerdt@che.utexas.edu [Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States); Posadas, Agham B.; Demkov, Alexander A. [Department of Physics, The University of Texas at Austin, Austin, Texas 78712 (United States); Hu, Chengqing; Yu, Edward T. [Department of Electrical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States); Bruley, John [IBM Research Division, Yorktown Heights, New York 10593 (United States)

    2014-02-24

    Atomic layer deposition (ALD) of epitaxial c-axis oriented BaTiO{sub 3} (BTO) on Si(001) using a thin (1.6?nm) buffer layer of SrTiO{sub 3} (STO) grown by molecular beam epitaxy is reported. The ALD growth of crystalline BTO films at 225??C used barium bis(triisopropylcyclopentadienyl), titanium tetraisopropoxide, and water as co-reactants. X-ray diffraction (XRD) reveals a high degree of crystallinity and c-axis orientation of as-deposited BTO films. Crystallinity is improved after vacuum annealing at 600??C. Two-dimensional XRD confirms the tetragonal structure and orientation of 720-nm thick films. The effect of the annealing process on the BTO structure is discussed. A clean STO/Si interface is found using in-situ X-ray photoelectron spectroscopy and confirmed by cross-sectional scanning transmission electron microscopy. The capacitance-voltage characteristics of 720?nm-thick BTO films are examined and show an effective dielectric constant of ?660 for the heterostructure.

  18. Continuous production of nanostructured particles using spatial atomic layer deposition

    SciTech Connect

    Ommen, J. Ruud van Kooijman, Dirkjan; Niet, Mark de; Talebi, Mojgan; Goulas, Aristeidis

    2015-03-15

    In this paper, the authors demonstrate a novel spatial atomic layer deposition (ALD) process based on pneumatic transport of nanoparticle agglomerates. Nanoclusters of platinum (Pt) of ?1?nm diameter are deposited onto titania (TiO{sub 2}) P25 nanoparticles resulting to a continuous production of an active photocatalyst (0.120.31?wt. % of Pt) at a rate of about 1?g min{sup ?1}. Tuning the precursor injection velocity (1040?m s{sup ?1}) enhances the contact between the precursor and the pneumatically transported support flows. Decreasing the chemisorption temperature (from 250 to 100?C) results in more uniform distribution of the Pt nanoclusters as it decreases the reaction rate as compared to the rate of diffusion into the nanoparticle agglomerates. Utilizing this photocatalyst in the oxidation reaction of Acid Blue 9 showed a factor of five increase of the photocatalytic activity compared to the native P25 nanoparticles. The use of spatial particle ALD can be further expanded to deposition of nanoclusters on porous, micron-sized particles and to the production of coreshell nanoparticles enabling the robust and scalable manufacturing of nanostructured powders for catalysis and other applications.

  19. Amorphous alumina thin films deposited on titanium: Interfacial chemistry and thermal oxidation barrier properties

    SciTech Connect

    Baggetto, Loic; Charvillat, Cedric; Thebault, Yannick; Esvan, Jerome; Lafont, Marie-Christine; Scheid, Emmanuel; Veith, Gabriel M.; Vahlas, Constantin

    2015-12-02

    Ti/Al2O3 bilayer stacks are used as model systems to investigate the role of atomic layer deposition (ALD) and chemical vapor deposition (CVD) to prepare 30-180 nm thick amorphous alumina films as protective barriers for the medium temperature oxidation (500-600⁰C) of titanium, which is employed in aeronautic applications. X-ray diffraction (XRD), transmission electron microscopy (TEM) with selected area electron diffraction (SAED), and X-ray photoelectron spectroscopy (XPS) results show that the films produced from the direct liquid injection (DLI) CVD of aluminum tri-isopropoxide (ATI) are poor oxygen barriers. The films processed using the ALD of trimethylaluminum (TMA) show good barrier properties but an extensive intermixing with Ti which subsequently oxidizes. In contrast, the films prepared from dimethyl aluminum isopropoxide (DMAI) by CVD are excellent oxygen barriers and show little intermixing with Ti. Overall, these measurements correlate the effect of the alumina coating thickness, morphology, and stoichiometry resulting from the preparation method to the oxidation barrier properties, and show that compact and stoichiometric amorphous alumina films offer superior barrier properties.

  20. Catalytic nanoporous membranes

    DOEpatents

    Pellin, Michael J; Hryn, John N; Elam, Jeffrey W

    2013-08-27

    A nanoporous catalytic membrane which displays several unique features Including pores which can go through the entire thickness of the membrane. The membrane has a higher catalytic and product selectivity than conventional catalysts. Anodic aluminum oxide (AAO) membranes serve as the catalyst substrate. This substrate is then subjected to Atomic Layer Deposition (ALD), which allows the controlled narrowing of the pores from 40 nm to 10 nm in the substrate by deposition of a preparatory material. Subsequent deposition of a catalytic layer on the inner surfaces of the pores reduces pore sizes to less than 10 nm and allows for a higher degree of reaction selectivity. The small pore sizes allow control over which molecules enter the pores, and the flow-through feature can allow for partial oxidation of reactant species as opposed to complete oxidation. A nanoporous separation membrane, produced by ALD is also provided for use in gaseous and liquid separations. The membrane has a high flow rate of material with 100% selectivity. Also provided is a method for producing a catalytic membrane having flow-through pores and discreet catalytic clusters adhering to the inside surfaces of the pores.

  1. Catalytic nanoporous membranes

    DOEpatents

    Pellin, Michael J.; Hryn, John N.; Elam, Jeffrey W.

    2009-12-01

    A nanoporous catalytic membrane which displays several unique features including pores which can go through the entire thickness of the membrane. The membrane has a higher catalytic and product selectivity than conventional catalysts. Anodic aluminum oxide (AAO) membranes serve as the catalyst substrate. This substrate is then subjected to Atomic Layer Deposition (ALD), which allows the controlled narrowing of the pores from 40 nm to 10 nm in the substrate by deposition of a preparatory material. Subsequent deposition of a catalytic layer on the inner surfaces of the pores reduces pore sizes to less than 10 nm and allows for a higher degree of reaction selectivity. The small pore sizes allow control over which molecules enter the pores, and the flow-through feature can allow for partial oxidation of reactant species as opposed to complete oxidation. A nanoporous separation membrane, produced by ALD is also provided for use in gaseous and liquid separations. The membrane has a high flow rate of material with 100% selectivity.

  2. In situ measurement of fixed charge evolution at silicon surfaces during atomic layer deposition

    SciTech Connect

    Ju, Ling; Watt, Morgan R.; Strandwitz, Nicholas C.

    2015-02-09

    Interfacial fixed charge or interfacial dipoles are present at many semiconductor-dielectric interfaces and have important effects upon device behavior, yet the chemical origins of these electrostatic phenomena are not fully understood. We report the measurement of changes in Si channel conduction in situ during atomic layer deposition (ALD) of aluminum oxide using trimethylaluminum and water to probe changes in surface electrostatics. Current-voltage data were acquired continually before, during, and after the self-limiting chemical reactions that result in film growth. Our measurements indicated an increase in conductance on p-type samples with p{sup +} ohmic contacts and a decrease in conductance on analogous n-type samples. Further, p{sup +} contacted samples with n-type channels exhibited an increase in measured current and n{sup +} contacted p-type samples exhibited a decrease in current under applied voltage. Device physics simulations, where a fixed surface charge was parameterized on the channel surface, connect the surface charge to changes in current-voltage behavior. The simulations and analogous analytical relationships for near-surface conductance were used to explain the experimental results. Specifically, the changes in current-voltage behavior can be attributed to the formation of a fixed negative charge or the modification of a surface dipole upon chemisorption of trimethylaluminum. These measurements allow for the observation of fixed charge or dipole formation during ALD and provide further insight into the electrostatic behavior at semiconductor-dielectric interfaces during film nucleation.

  3. Chemical modification and inactivation of rat liver microsomal cytochrome P-450c by 2-bromo-4'-nitroacetophenone

    SciTech Connect

    Parkinson, A.; Ryan, D.E.; Thomas, P.E.; Jerina, D.M.; Sayer, J.M.; van Bladeren, P.J.; Haniu, M.; Shively, J.E.; Levin, W.

    1986-09-05

    The alkylating agent 2-bromo-4'-nitroacetophenone (BrNAP) binds covalently to each of 10 isozymes of purified rat liver microsomal cytochrome P-450 (P-450a-P-450j) but substantially inhibits the catalytic activity of only cytochrome P-450c. Regardless of pH, incubation time, presence of detergents, or concentration of BrNAP, treatment of cytochrome P-450c with BrNAP resulted in no more than 90% inhibition of catalytic activity. Alkylation with BrNAP did not cause the release of heme from the holoenzyme or alter the spectral properties of cytochrome P-450c, data that exclude the putative heme-binding cysteine, Cys-460, as the major site of alkylation. Two residues in cytochrome P-450c reacted rapidly with BrNAP, for which reason maximal loss of catalytic activity was invariably associated with the incorporation of approximately 1.5 mol of BrNAP/mol of cytochrome P-450c. Two major radio-labeled peptides were isolated from a tryptic digest of (/sup 14/CC)BrNAP-treated cytochrome P-450c by reverse-phase high performance liquid chromatography. The amino acid sequence of each peptide was determined by microsequence analysis, but the identification of the residues alkylated by BrNAP was complicated by the tendency of the adducts to decompose when subjected to automated Edman degradation. However, results of competitive binding experiments with the sulfhydryl reagent 4,4'-dithiodipyridine identified Cys-292 as the major site of alkylation and Cys-160 as the minor site of alkylation by BrNAP in cytochrome P-450c.

  4. KGK-2-type detector of gamma-radiation power for diagnosis of nuclear reactor radiation fields within the range from 1 µGy/s to 100 Gy/s

    SciTech Connect

    Koshelev, A. S. Dovbysh, L. Ye.; Khoruzhy, V. Kh.; Chuklyaev, S. V.

    2015-12-15

    The construction of the KGK-2-type detector of γ-radiation power is briefly described. The diagnostic possibilities of the detector are shown by the example of results of the dose rate measurement in the energy start-ups of the BR-K1 and BR-1M reactors implemented in the mode of generating fission pulses on delayed neutrons. The possibilities of using the KGK-2 detector for postpulse γ diagnostics are demonstrated by the example of results of measurements in the fission pulse on prompt neutrons of the BR-1M reactor.

  5. Comparison of the Distributions of Bromine, Lead and Zinc in Tooth and Bone from an Ancient Peruvian Burial site by X-ray Fluorescence

    SciTech Connect

    Martin,R.; Naftel, S.; Nelson, A.; Sapp, W.

    2007-01-01

    Synchrotron micro X-ray fluorescence was used to study the distribution of selected trace elements (Zn, Pb, and Br) in tooth and bone samples obtained from an individual from a pre-Columbian archaeological site (Cabur) located on the north coast of Peru. The results show that Zn, Pb, and Br are present in both the teeth and bone samples and that the Zn and Pb seem to be confined to similar regions (cementum and periostium), while Br shows a novel distribution with enrichment close to the Haversian canals and (or) in regions that appear to be Ca deficient.

  6. 4Li

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Li Ground-State Decay Evaluated Data Measured Ground-State Γcm(T1/2) for 4Li Adopted value: 91 ± 9 ys (2003AU02) Measured Mass Excess for 4Li Adopted value: 25320 ± 210 keV (2003AU02) Measurements 1960BR05: 4Li; measured not abstracted; deduced nuclear properties. 1960BR10: 4Li; measured not abstracted; deduced nuclear properties. 1960BR19: 4Li; measured not abstracted; deduced nuclear properties. 1960RO11: 4Li; measured not abstracted; deduced nuclear properties. 1963WE10: 4Li; measured not

  7. The Sandia Wave Reflector - Energy Innovation Portal

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    The Sandia Wave Reflector Sandia National Laboratories Contact SNL About This Technology Publications: PDF Document Publication Wave Reflector SAND 2013-8893P.pdf (1,092 KB) 433 MHz antenna and wave reflector<br /> Device weighs 0.3 kg with dimensions of 21 x 43 x 320 mm.&nbsp;<br /> <br type="_moz" /> 433 MHz antenna and wave reflector Device weighs 0.3 kg with dimensions of 21 x 43 x 320 mm. Performance Comparison: Antenna Without and With the Wave

  8. Photo Gallery

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Historic Lasers <h3>Argus Laser Bay</h3>The two-beam Argus laser came online In 1976. Use of Argus increased knowledge about laser propagation limits and helped LLNL Laser Program researchers develop technologies needed for the next generation of laser fusion systems.<br/><br/><a href="content/assets/images/media/photo-gallery/large/nif-1109-17874.jpg" target="_blank">Download hi-res image</a><br/><a

  9. Photo Gallery

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Construction <h3>Victor Reis</h3>Victor Reis, the Assistant Secretary for the Department of Energy's Defense Programs, played a key leadership role in the 1990s in defining the emerging Stockpile Stewardship Program and the need for the National Ignition Facility.<br/><br/><a href="content/assets/images/media/photo-gallery/large/nif-1209-18052.jpg" target="_blank">Download hi-res image</a><br/><a

  10. Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency

    Office of Scientific and Technical Information (OSTI)

    solar cells via CH3NH3Br-selective Ostwald ripening (Journal Article) | SciTech Connect Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening Citation Details In-Document Search Title: Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening Organometallic halide perovskite solar cells (PSCs) have shown great promise as a low-cost, high-efficiency

  11. Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency

    Office of Scientific and Technical Information (OSTI)

    solar cells via CH3NH3Br-selective Ostwald ripening (Journal Article) | DOE PAGES Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening Title: Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening Organometallic halide perovskite solar cells (PSCs) have shown great promise as a low-cost, high-efficiency photovoltaic technology. Structural and

  12. Photochemistry of Methyl Bromide on the α-Cr2O3(0001) Surface

    SciTech Connect

    Henderson, Michael A.

    2010-09-30

    The photochemical properties of the Cr-terminated α-Cr2O3(0001) surface were explored using methyl bromide (CH3Br) as a probe molecule. CH3Br adsorbed and desorbed molecularly from the Cr-terminated α-Cr2O3(0001) surface without detectable thermal decomposition. Temperature programmed desorption (TPD) revealed a CH3Br desorption state at 240 K for coverages up to 0.5 ML, followed by more weakly bound molecules desorbing at 175 K for coverages up to 1 ML. Multilayer exposures led to desorption at ~130 K. The CH3Br sticking coefficient was unity at 105 K for coverages up to monolayer saturation, but decreased as the multilayer formed. In contrast, pre-oxidation of the surface (using an oxygen plasma source) led to capping of surface Cr3+ sites and near complete removal of CH3Br TPD states above 150 K. The photochemistry of chemisorbed CH3Br was explored on the Cr-terminated surface using post-irradiation TPD and photon stimulated desorption (PSD). Irradiation of adsorbed CH3Br with broad band light from a Hg arc lamp resulted in both photodesorption and photodecomposition of the parent molecule at a combined cross section of ~10-22 cm2. Parent PSD was indicative of molecular photodesorption, but CH3 was also detected in PSD and Br atoms were left on the surface, both reflective of photo-induced CH3-Br bond dissociation. Use of a 385 nm cut-off filter effectively shut down the photodissociation pathway but not the parent molecule photodesorption process. From these observations it is inferred that d-to-d transitions in α-Cr2O3, occurring at photon energies <3 eV, are not responsible for photodecomposition of 2 adsorbed CH3Br. It is unclear to what extent band-to-band versus direct CH3Br photolysis play in CH3-Br bond dissociation initiated by more energetic photons.

  13. Minoan Group | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    Minoan Group Jump to: navigation, search Name: Minoan Group Place: Kent, England, United Kingdom Zip: BR5 1XB Sector: Solar Product: UK-based developer of resorts in Greece that...

  14. LED Directional Lamps

    SciTech Connect

    2012-11-01

    Solid-state lighting program technology fact sheet that provides an overview of the current performance of LED PAR-, BR-, R-, and AR-shaped lamps, which were all investigated by CALiPER in 2012.

  15. Lawrence Co. Scioto Co. Greenup Co. Jack

    Gasoline and Diesel Fuel Update

    CON LEY MEAD E BR ANCH PET ERSBURG VAN LEAR SILVERTON RPD-SC IOT O-2 HURR ICANE CR EEK OT TER ROAD BRANCH SH AVERS FORK HAGERH ILL KEEL FORK CRAGER FORK CON TRARY BRAN CH HUNN ...

  16. Distribution:

    Office of Legacy Management (LM)

    bav@ @esiaw*cp Suppl. file 'Br & Div rf's shealth (lic.only) UNITED STATES ATOMIC ENERGY COMMISSION SPECIAL NUCLEAB MATERIAL LICENSE pursuant to the Atomic Energy Act of 1954 ...

  17. DISTRIBU'~ICN:

    Office of Legacy Management (LM)

    DISTRIBU'ICN: Document R-3. wencl. State Health (Lit. only) JUN 2 19&---%Lq@. WenCl. flCompliance, Reg. III, wend. N. Ibulos, DXL, vend. (3) Br. Reading File wencl, Div. ...

  18. sandia

    National Nuclear Security Administration (NNSA)

    to learn more.<br >

    Cheaper catalyst may lower fuel costs for hydrogen-powered cars http:www.nnsa.energy.govblogcheaper-catalyst-may-lower-fuel-costs-hy...

  19. snl

    National Nuclear Security Administration (NNSA)

    to learn more.<br >

    Cheaper catalyst may lower fuel costs for hydrogen-powered cars http:www.nnsa.energy.govblogcheaper-catalyst-may-lower-fuel-costs-hy...

  20. small buisness

    National Nuclear Security Administration (NNSA)

    DOE prime contractors.<BR >

  1. A=5He (59AJ76)

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Absolute differential cross sections are reported (BR58B). For Ed > 3.71 MeV, deuteron breakup (reaction (c)) is energetically possible. The cross section for this process has been...

  2. GLADY CASSIT Y VANDALIA MURPHY CR EEK BU CKHN-CENT URY CLAY

    Annual Energy Outlook

    SEVEN SPRIN GS BR ISTORIA BELLEVERN ON MAYFIELD BIG MOSES BEN WOOD HUSTON KEY CRADDOCK DUF ... The boundaries are not informed by subsurface structural information. The data and methods ...

  3. JNITED STATES ATOMIC ENERGY COMMlSSiON

    Office of Legacy Management (LM)

    ... Radgn could emanatethrough the surficial slag and enter the atmodphe're to be blown downwind. A common wind direction is from the northw&t br west. Radon thus blown may accumulate ...

  4. Property:Incentive/MaxInc | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    + 20% of the annual C&I Standard Offer Program budget AEP SWEPCO - SMART Source Solar PV Program (Texas) + Residential: 15,000<br > Non-residential: 30,000 AEP Texas Central...

  5. Microsoft PowerPoint - lndustry Issues and Perspectives _ Eris...

    National Nuclear Security Administration (NNSA)

    reactor fuel: 2 BR-0006 2.1 In the case of spent fuel shipments, in accordance with 10 CFR 73.37, "Requirements for Physical Protection of Irradiated Reactor Fuel in ...

  6. Exclusive and inclusive decays of B mesons into D sub s mesons

    SciTech Connect

    Bortoletto, D.; Goldberg, M.; Horwitz, N.; Jain, V.; Mestayer, M.D.; Moneti, G.C.; Sharma, V.; Shipsey, I.P.J.; Skwarnicki, T.; Thulasidas, M.; Csorna, S.E.; Letson, T.; Alexander, J.; Artuso, M.; Bebek, C.; Berkelman, K.; Cassel, D.G.; Cheu, E.; Coffman, D.M.; Crawford, G.; DeWire, J.W.; Drell, P.S.; Ehrlich, R.; Galik, R.S.; Gittelman, B.; Gray, S.W.; Halling, A.M.; Hartill, D.L.; Heltsley, B.K.; Kandaswamy, J.; Katayama, N.; Kreinick, D.L.; Lewis, J.D.; Mistry, N.B.; Mueller, J.; Namjoshi, R.; Nandi, S.; Nordberg, E.; O'Grady, C.; Peterson, D.; Pisharody, M.; Riley, D.; Sapper, M.; Silverman, A.; Stone, S.; Worden, H.; Worris, M.; Sadoff, A.J.; Avery, P.; Besson, D.; Garren, L.; Yelton, J.; Bowcock, T.; Kinoshita, K.; Pipkin, F.M.; Procario, M.; Wilson, R.; Wolinski, J.; Xiao, D.; Ammar, R.; Baringer, P.; Coppage, D.; Haas, P.; Lam, H.; Jawahery, A.; Park, C.H.; Kubota, Y.; Nelson, J.K.; Perticone, D.; Poling, R.; Fulton, R.; Hempstead, M.; Jensen, T.; Johnson, D.R.; Kagan, H.; Kass

    1990-04-30

    We have studied the production of {ital D}{sub {ital s}} mesons in the decays of {ital B} mesons at the {Upsilon}(4{ital S}) resonance. We report on the first observation of exclusive {ital B}-meson decays {ital B}{r arrow}{ital D}{sub {ital s}}{sup {minus}}{ital D*}{sup +}, {ital B}{r arrow}{ital D}{sub {ital s}}{sup {minus}}{ital D}{sup +}, and {ital B}{r arrow}{ital D}{sub {ital s}}{sup {minus}}{ital D}{sup 0}. We also present a new measurement of the branching ratio and the momentum spectrum for the inclusive decay {ital B}{r arrow}{ital D}{sub {ital s}X}.

  7. Table of Contents: Accelerating Cleanup, Paths to Closure

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... Total Environmental Management Account and B&R Code 1997 1998 1999 2000 Line Line Item Expense Type BA BA BA BA Item Name Does this SSL contain budget items for Transuranic ...

  8. Transport Energy Impact Analysis; NREL (National Renewable Energy Laboratory)

    SciTech Connect

    Gonder, J.

    2015-05-13

    Presented at the Sustainable Transportation Energy Pathways Spring 2015 Symposium on May 13, 2015, this presentation by Jeff Gonder of the National Renewable Energy Laboratory (NREL) provides information about NREL's transportation energy impact analysis of connected and automated vehicles. <br/>

  9. Advanced Plasma Power APP | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    London, Greater London, United Kingdom Zip: EC2A 1BR Product: London-based geoplasma process technology developer for waste-to-energy systems. Coordinates: 51.506325,...

  10. Direct Thermal Receivers Using Near Blackbody Configurations...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Contact NREL About This Technology Figure 1. Schematic of the cylinder acting as a near-blackbody receiver when solar radiation enters the cylinder&39;s left end<br > Figure 1. ...

  11. Dual-Axis Resonance Testing of Wind Turbine Blades - Energy Innovation...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Return to Search Dual-Axis Resonance Testing of Wind Turbine Blades National Renewable ... of time needed to fatigue test wind turbine blades. <br > Dual-axis testing can ...

  12. A=17F (1986AJ04)

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    6AJ04) (See Energy Level Diagrams for 17F) GENERAL: See (1982AJ01) and Table 17.17 [Table of Energy Levels] (in PDF or PS). Nuclear models: (1982ZH01, 1983BR29, 1984ZI04, 1985ME06). Special states: (1981WI1K, 1983AU1B, 1983BR29, 1983WI15, 1984ANZV, 1985ME06, 1985SH24). Electromagnetic transitions: (1982BR24, 1983BR29, 1983TO08, 1984SAZW, 1985AL21). Astrophysical questions: (1981WA1Q, 1981WE1F, 1982WI1B). Complex reactions involving 17F: (1984GR08, 1984HI1A, 1984HO23). Pion reactions: (1980CR03).

  13. A=19Ne (1987AJ02)

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    7AJ02) (See Energy Level Diagrams for 19Ne) GENERAL: See (1983AJ01) and Table 19.21 [Table of Energy Levels] (in PDF or PS). Nuclear models:(1983BR29, 1983PO02). Special states: (1983BI1C, 1983BR29, 1983PO02, 1986AN07). Electromagnetic transitions: (1982BR24, 1983BR29, 1985AL21). Astrophysical questions: (1981WA1Q, 1982WI1B, 1986LA07). Applications:(1982BO1N). Complex reactions involving 19Ne:(1981DE1P, 1983JA05, 1984GR08, 1985BE40, 1986GR1A, 1986HA1B, 1987RI03). Pion capture and reactions (See

  14. Lead and strontium isotopic evidence for crustal interaction...

    OpenEI (Open Energy Information) [EERE & EIA]

    Kistler, R.W.; Doe and B.R. Published Contributions to Mineralogy and Petrology, 111984 DOI 10.1007BF01150293 Citation Bacon, C.R.; Kurasawa, H.; Delevaux, M.H.; Kistler,...

  15. ARM XDC Datastreams

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... GR HAIL RA RAIN DZ DRIZZLE SN SNOW SG SNOW GRAINS GS SMALL HAIL &OR SNOW PELLETS PE ICE PELLETS IC CRYSTALS FG+ HEAVY FOG (FG & LE.25 MILES) FG FOG BR MIST UP UNKNOWN ...

  16. Aluminum electroplating on steel from a fused bromide electrolyte

    SciTech Connect

    Prabhat K. Tripathy; Laura A. Wurth; Eric J. Dufek; Toni Y. Gutknecht; Natalie J. Gese; Paula Hahn; Steven M. Frank; Guy L. Frederickson; J. Stephen Herring

    2014-08-01

    A quaternary bromide bath (LiBr–KBr–CsBr–AlBr3) was used to electro-coat aluminum on steel substrates. The electrolytewas prepared by the addition of AlBr3 into the eutectic LiBr–KBr–CsBr melt. A smooth, thick, adherent and shiny aluminum coating could be obtained with 80 wt.% AlBr3 in the ternary melt. The SEM photographs of the coated surfaces suggest the formation of thick and dense coatings with good aluminum coverage. Both salt immersion and open circuit potential measurement suggested that the coatings did display a good corrosionresistance behavior. Annealing of the coated surfaces, prior to corrosion tests, suggested the robustness of the metallic aluminum coating in preventing the corrosion of the steel surfaces. Studies also indicated that the quaternary bromide plating bath can potentially provide a better aluminumcoating on both ferrous and non-ferrous metals, including complex surfaces/geometries.

  17. Critical Materials Institute - invention disclosures

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    a>

  18. High Command Fidelity Electromagnetically Driven Calorimeter (High-CoFi EleDriCal) <br >Patent...

  19. Replaces DOE F 5120.2

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    ... work. Item 5. Enter the name of the M&O contractor responsible for the authorized work. AA 11111 AA 11 a. The first two positions: The first two letters of the B&R code. b. ...

  20. Braxenergy | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    Zip: 04002020 Sector: Renewable Energy Year Founded: 2007 Phone Number: 55 11 3889-2233 Website: www.braxenergy.com.br Coordinates: -23.572237, -46.6499856 Show Map...

  21. Photo Gallery

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    imagesmediaphoto-gallerylarge40-60-0999-188411.jpg" target"blank">Download hi-res image<br>Direct Link...