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iot | OpenEI Community  

Open Energy Info (EERE)

iot Home No Battery Wearables Description: Wearable IT and communication devices that don't require a battery. This group is for discussion about innovations in wearable technology...


Lawrence Co. Scioto Co. Greenup Co. Jack  

U.S. Energy Information Administration (EIA) Indexed Site



Using Web Service Gateways and Code Generation for Sustainable IoT System Development  

E-Print Network [OSTI]

use case this paper shows how we hope to make equally sustainable IoT solutions by employing a modelUsing Web Service Gateways and Code Generation for Sustainable IoT System Development Till Riedel+ years may especially profit from an Internet of Things. Motivated by a practical industrial servicing

Beigl, Michael


Semantic Web of Things: an analysis of the application semantics for the IoT moving towards the IoT convergence  

Science Journals Connector (OSTI)

The Internet of Things (IoT) is being applied for stovepipe solutions, since it presents a semantic description limited to a specific domain. IoT needs to be pushed towards a more open, interoperable and collaborative IoT. The first step has been the Web of Things (WoT). WoT evolves the IoT with a common stack based on web services. But, even when a homogeneous access is reached through web protocols, a common understanding is not yet acquired. For this purpose, the Semantic Web of Things (SWoT) is proposed for the integration of the semantic web on the WoT. This work analyses the SWoT, presenting its different levels to offer an IoT convergence. Specifically, we analyse the trends for capillary networks and for cellular networks with standards such as IPSO, ZigBee, OMA, and the oneM2M initiative. This work also analyses the impact of the semantic-annotations/metadata in the performance of the resources.

Antonio J. Jara; Alex C. Olivieri; Yann Bocchi; Markus Jung; Wolfgang Kastner; Antonio F. Skarmeta



Transient Mobility of Oxygen Adatoms upon O2 Dissociation on...  

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

Transient Mobility of Oxygen Adatoms upon O2 Dissociation on Reduced TiO2 (110). Transient Mobility of Oxygen Adatoms upon O2 Dissociation on Reduced TiO2 (110). Abstract: Tracking...


Induction of Cytotoxicity by Photoexcited TiO2 Particles  

Science Journals Connector (OSTI)

...TiO2 in the suspension was measured with combustion analysis. The TiO2 aqueous suspension...photoexcited TiO2 particles. it did not produce heat at the irradiated site. Since TiO2 alone...Heterogeneous photocatalytic oxidation of hydrocarbons on platinized TiO2 powders. J. Phys...

Ruxiong Cai; Yoshinobu Kubota; Taro Shuin; Hideki Sakai; Kazuhito Hashimoto; and Akira Fujishima



Polymorphism in Amorphous SiO2  

Science Journals Connector (OSTI)

Brillouin scattering from a-SiO2 up to 17 GPa shows that an irreversible change in the longitudinal sound velocity takes place between 10 and 17 GPa and that this change is stable at atmospheric pressure. Raman spectra of the retrieved sample indicate that it is also amorphous but differ noticeably from that of the original sample.

M. Grimsditch



Enhanced oxygen evolution activity of IrO2 and RuO2 (100) surfaces  

SciTech Connect (OSTI)

The activities of the oxygen evolution reaction (OER) on IrO2 and RuO2 catalysts are among the highest known to date. However, the intrinsic OER activities of surfaces with defined crystallographic orientations are not well established experimentally. Here we report that the (100) surface of IrO2 and RuO2 is more active than the (110) surface that has been traditionally explored by density functional theory studies. The relation between the OER activity and density of coordinatively undersaturated metal sites exposed on each rutile crystallographic facet is discussed. The surface-orientation dependent activities can guide the design of high-surface-area catalysts with increased activity for electrolyzers, metal-air batteries, and photoelectrochemical water splitting applications.

Stoerzinger, Kelsey [Massachusetts Institute of Technology (MIT)] [Massachusetts Institute of Technology (MIT); Qiao, Liang [ORNL] [ORNL; Biegalski, Michael D [ORNL] [ORNL; Christen, Hans M [ORNL] [ORNL; Shao-Horn, Yang [Massachusetts Institute of Technology (MIT)] [Massachusetts Institute of Technology (MIT)



Matching O2 Delivery to O2 Demand in Muscle: II. Allometric Variation in Energy Demand  

Science Journals Connector (OSTI)

This paper and the preceding paper by Weibel and Kayar address the question of whether, or to what extent, the structures involved in O2 consumption and delivery are matched to each other. This match between stru...

C. Richard Taylor; Kim E. Longworth…



The O2 reduction at the IFC modified O2 fuel-cell electrode  

SciTech Connect (OSTI)

The International Fuel Corporation (IFC) state of the art (SOA) O2 electrode (Au-10 percent Pt electrocatalyst by weight) is currently being used in the alkaline H2-O2 fuel cell in the NASA Space Shuttle. Recently, IFC modified O2 electrode, as a possible replacement for the SOA electrode. In the present study, O2 reduction data were obtained for the modified electrode at temperatures between 23.3 and 91.7 C. BET measurements gave an electrode BET surface area of about 2070 sq. cm/sq. cm of geometric surface area. The Tafel data could be fitted to two straight line regions. The slope for the lower region, designated as the 0.04 V/decade region, was temperature dependent, and the transfer coefficient was about 1.5. The 'apparent' energy of activation for this region was about 19 kcal/mol. An O2 reduction mechanism for this 0.04 region is presented. In the upper region, designated as the 0.08 V/decade region, diffusion may be the controlling process. Tafel data are presented to illustrate the increase in performance with increasing temperature.

Fielder, W.L.; Singer, J.; Baldwin, R.S.; Johnson, R.E.



Rate-dependent morphology of Li2O2 growth in Li-O2 batteries  

E-Print Network [OSTI]

Compact solid discharge products enable energy storage devices with high gravimetric and volumetric energy densities, but solid deposits on active surfaces can disturb charge transport and induce mechanical stress. In this Letter we develop a nanoscale continuum model for the growth of Li2O2 crystals in lithium-oxygen batteries with organic electrolytes, based on a theory of electrochemical non-equilibrium thermodynamics originally applied to Li-ion batteries. As in the case of lithium insertion in phase-separating LiFePO4 nanoparticles, the theory predicts a transition from complex to uniform morphologies of Li2O2 with increasing current. Discrete particle growth at low discharge rates becomes suppressed at high rates, resulting in a film of electronically insulating Li2O2 that limits cell performance. We predict that the transition between these surface growth modes occurs at current densities close to the exchange current density of the cathode reaction, consistent with experimental observations.

Horstmann, B; Mitchell, R; Bessler, W G; Shao-Horn, Y; Bazant, M Z



Chemical and Electrochemical Differences in Nonaqueous Li–O2 and Na–O2 Batteries  

Science Journals Connector (OSTI)

The most intriguing difference between the two batteries is their respective galvanostatic charging overpotentials: a Na–O2 battery exhibits a low overpotential throughout most of its charge, whereas a Li–O2 battery has a low initial overpotential that continuously increases to very high voltages by the end of charge. ... Li metal was purchased from FMC, Na metal was purchased from GalliumSource, P50 Avcarb carbon paper was purchased from the Fuel Cell Store, and Whatman glass fiber filters (QM-A grade) were used as the separator. ...

Bryan D. McCloskey; Jeannette M. Garcia; Alan C. Luntz



Advanced Visible-Light-Driven Self-Cleaning Cotton by Au/TiO2/SiO2 Photocatalysts  

Science Journals Connector (OSTI)

Synergy of Low-Energy {101} and High-Energy {001} TiO2 Crystal Facets for Enhanced Photocatalysis ... Synergy of Low-Energy {101} and High-Energy {001} TiO2 Crystal Facets for Enhanced Photocatalysis ...

RongHua Wang; XiaoWen Wang; John H. Xin



Photocatalytic H2 production from ethanol over Au/TiO2 and Ag/TiO2  

Science Journals Connector (OSTI)

This paper compares the photocatalytic activities of Au/TiO2 (Au loadings 0-4 wt.%) and Ag/TiO2 photocatalysts (Ag loadings 0-4 wt.%) for H2 production from ethanol-water mixtures under UV irradiation. Au and Ag nanoparticles were deposited on commercially available Degussa P25 TiO2 (85% anatase, 15% rutile) using deposition-precipitation and liquid impregnation methods, respectively. TEM analyses showed the average noble metal nanoparticle size to be ~5 nm for the Au/TiO2 photocatalysts and ~3 nm for the Ag/TiO2 photocatalysts. Au/TiO2 photocatalysts showed a strong localised surface plasmon resonance (LSPR) at 570 nm characteristic for nanocrystalline Au. Complementary XRD studies confirmed that Au and Ag nanoparticles were present in metallic form. Photoluminescence measurements revealed that Au and Ag nanoparticles effectively suppress electron-hole recombination in TiO2, thereby enhancing the photocatalytic activity of TiO2 for hydrogen production. Au/TiO2 photocatalysts were far more active for H2 production from ethanol-water mixtures than Ag/TiO2 photocatalysts. A 1 wt.% Au/TiO2 photocatalyst yielded the highest H2 production rate (34 mmol g?1 h?1). Amongst the Ag/TiO2 photocatalysts, the 2 wt.% Ag/TiO2 sample was the most active (3.7 mmol g?1 h?1). Results are rationalised in terms of differences in the electronic properties of supported Au and Ag nanoparticles, with the former being near ideal for H2 production.

Vedran Jovic; Pei-Huan Hsieh; Wan-Ting Chen; Dongxiao Sun-Waterhouse; Tilo Söhnel; Geoffrey I.N. Waterhouse



High-Field Magnetoresistance of IrO2  

Science Journals Connector (OSTI)

The monotonic and oscillatory magnetoresistance of IrO2 is reported and found to be consistent with the Fermi-surface model proposed by Graebner.

W. D. Ryden; W. A. Reed; E. S. Greiner



Dry etching properties of TiO2 thin films in O2/CF4/Ar plasma  

Science Journals Connector (OSTI)

In this work, the etching properties of titanium dioxide (TiO2) thin film in additions of O2 at CF4/Ar plasma were investigated. The maximum etch rate of 179.4 nm/min and selectivity of TiO2 of 0.6 were obtained at an O2/CF4/Ar (=3:16:4 sccm) gas mixing ratio. In addition, the etch rate and selectivity were measured as a function of the etching parameters, such as the RF power, DC-bias voltage, and process pressure. The efficient destruction of the oxide bonds by ion bombardment, which was produced from the chemical reaction of the etched TiO2 thin film, was investigated by X-ray photoelectron spectroscopy. To determine the re-deposition of sputter products and reorganization of such residues on the surface, the surface roughness of TiO2 thin film were examined using atomic force microscopy.

Kyung-Rok Choi; Jong-Chang Woo; Young-Hee Joo; Yoon-Soo Chun; Chang-Il Kim



Preparation of CuAlO2 and CuCrO2 thin films by sol–gel processing  

Science Journals Connector (OSTI)

CuAlO2 and CuCrO2 thin films were prepared by sol–gel processing and subsequent thermal treatment in air and inert gas atmosphere. Resistivities of 700 ? cm and 60 ? cm with optical transmissions of 65% and 32% were achieved respectively. The crystallization temperature of 700 °C allows the preparation of CuCrO2 on borosilicate glass. P-type conductivity was verified by Seebeck measurements and a transparent heterostructure including p-CuCrO2 showed rectifying behavior.

Stefan Götzendörfer; Christina Polenzky; Stephan Ulrich; Peer Löbmann



Tunneling states in vitreous GeO2s  

Science Journals Connector (OSTI)

Ultrasonic measurements of the attenuation and the velocity variation have been carried out in amorphous GeO2 at low temperature (0.3–10 K) and high frequencies (80–210 MHz). From numerical fits to the tunneling model, the typical parameters of the tunneling states (TS) were determined and compared to those found for vitreous SiO2 . The study reveals that in a-GeO2 , which is considered as a close structural analog to a-SiO2 , although the density of states is found to be very similar in both materials, the coupling between the TS and the phonons is significantly smaller. In the model of coupled tetrahedra as the origin of the TS, this difference can be understood in view of the fact that numerical calculations about the vibrational characteristics of network amorphous solids indicate that the tetrahedra are more decoupled in vitreous GeO2 than in vitreous silica.

Christiane Laermans; Veerle Keppens; Robert Weeks



Temperature Dependent Absorption Cross-Sections of O2-O2 collision pairs1 between 340 and 630 nm and at atmospherically relevant pressure2  

E-Print Network [OSTI]

(CIA). At 203 K, van der Waals complexes (O2-dimer) contribute less than26 0.14% to the O4 absorption induced absorption (CIA) results in38 additional O4-CIA absorption from O2-O2 collision pairs that overlap that of O2-dimer. With CIA,39 the selection rules of molecular O2 transitions are relaxed as a result


Thermal stability of ZrO2–SiO2 aerogel modified by Fe(III) ion  

Science Journals Connector (OSTI)

ZrO2–SiO2 aerogel modified by Fe(III) ion was prepared and the stability of the samples under high temperature was investigated. The structure and properties of modified aerogels were characterized by N2 adsorpti...

Rui Xiong; Xiaolei Li; Huiming Ji…


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


The decomposition of H2O2 over the components of Au/TiO2 catalysts  

Science Journals Connector (OSTI)

...the selectivity to H2O2 from hydrogen is practically 100 per cent...to end users. The in situ production of hydrogen peroxide from O2 and H2 promises...localized, small-scale production method with lower environmental and...



Stability and Migration of Charged Oxygen Interstitials in ThO2...  

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

Stability and Migration of Charged Oxygen Interstitials in ThO2 and CeO2. Stability and Migration of Charged Oxygen Interstitials in ThO2 and CeO2. Abstract: Density functional...


The O2/N2 Ratio Gas Solubility Mystery  

Science Journals Connector (OSTI)

Oxygen (O2) and nitrogen (N2) are the two most abundant gases in the Earth’s atmosphere and have generally similar physical properties, yet O2 is twice as soluble in water as N2, a feature that may have physiological and other biological consequences. ... In addition, a sensible explanation for the difference in the aqueous solubilities of O2 and N2 would provide some insight into the factors determining gas solubility in water. ... The soly. of 408 gaseous compds. in water at 298 K has been correlated through equation (i), where the soly. is expressed as the Ostwald soly. ...

Rubin Battino; Paul G. Seybold



Influence of O2-induced surface roughening on the chemistry of water on TiO2(110)  

SciTech Connect (OSTI)

The impact of oxygen induced regrowth of TiO2 on the reduced rutile TiO2(110) surface has been studied using temperature programmed desorption (TPD) of adsorbed water multilayers. Pre-exposure of UHV annealed TiO2(110) surfaces to O2 at temperatures from 300 to 850 K induced changes in subsequent water TPDs that were interpreted in terms of the rougher surface morphologies resulting from the regrowth process. Water TPD from TiO2(110) previously oxidized at 300 K exhibited a new peak at *312 K due to reaction of water with O adatoms. These O adatoms were produced by dissociative adsorption of O2 at O-vacancy sites. Additionally, oxygen reacted (slowly) with surface Ti2O3 strands at RT. Water TPD from surfaces pre-oxidized at higher temperatures (P500 K) exhibited features reflective of desorption from rough surfaces, namely loss of peak resolution and eventual merger of the second layer and ice peaks, formation of a high temperature tail on the second layer peak, and broadening of the first layer TPD peak. The multiplicity of kinetically different adsorption sites on the roughened TiO2(110) surfaces contributed to the widening of the desorption features. Published by Elsevier B.V.

Zehr, Robert T.; Henderson, Michael A.



Bi3+ Luminescence in ABiO2Cl (A = Sr, Ba) and BaBiO2Br  

SciTech Connect (OSTI)

Trivalent bismuth luminescence is reported in three Sillenbismuth oxyhalide phases, SrBiO2Cl, BaBiO2Cl, and BaBiO2Br. Thesecompounds exhibit Bi 6s6->6 s2 emission under UV and X-ray radiation.At room temperature, BaBiO2Cl shows the most intense light emission, withspectral and decay properties similar to those found in Bi4Ge3O12 (BGO).At low temperatures, each phase show an increase in the photoluminescenceintensities and a narrowing of the emission peaks. In contrast to thetemperature dependence of BGO, X-ray excited luminescence intensities ofall three phases remain relatively constant throughout the temperaturerange 10 - 295 K. This result indicates that the Sillen phases undergoless thermal quenching than BGO. The low temperature and room temperatureradio-luminescence decay times were determined from pulsed x-raymeasurements. At room temperature, SrBiO2Cl exhibits faster decays thanBGO, while, BaBiO2Cl and BaBiO2Br have decay times similar toBGO.

Porter-Chapman, Yetta D.; Bourret-Courchesne, Edith E.; Derenzo,Stephen E.



Stability of polymer binders in Li-O2 batteries  

SciTech Connect (OSTI)

A number of polymers with various chemical structures were studied as binders for air electrodes in Li-O2 batteries. The nature of the polymer significantly affects the binding properties in the carbon electrodes thus altering the discharge performance of Li-O2 batteries. Stability of polymers to the aggressive reduced oxygen species generated during discharge was tested by ball milling them with KO2 and Li2O2, respectively. Most of the polymers decomposed under these conditions and mechanisms of the decompositions are proposed for some of the polymers. Polyethylene was found to have excellent stability and is suggested as robust binder for air electrodes in Li-O2 batteries.

Nasybulin, Eduard N.; Xu, Wu; Engelhard, Mark H.; Nie, Zimin; Li, Xiaohong S.; Zhang, Jiguang



Ferromagnetism in chemically synthesized CeO2 nanoparticles by...  

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

by Ni doping. Ferromagnetism in chemically synthesized CeO2 nanoparticles by Ni doping. Abstract: This work reports the discovery of room-temperature ferromagnetism in 5 - 9 nm...


Effect of ceria loading on the carbon formation during low temperature methane steam reforming over a Ni/CeO2/ZrO2 catalyst  

Science Journals Connector (OSTI)

The characterization and catalytic activity of a Ni/CeO2/ZrO2 catalyst for methane steam reforming at 600°C were investigated. The addition...

Anton Purnomo; Susan Gallardo; Leonila Abella…



Superhydrophilic TiO2 surface without photocatalytic activation  

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

Superhydrophilic TiO2 surface without photocatalytic activation Superhydrophilic TiO2 surface without photocatalytic activation Title Superhydrophilic TiO2 surface without photocatalytic activation Publication Type Journal Article Year of Publication 2010 Authors Zormpa, Vasileia, Xiaobo Chen, and Samuel S. Mao Journal Applied Physics Letter Volume 96 Issue 9 Date Published 12/2009 Abstract Since the discovery of extreme surface wetting phenomenon induced by ultraviolet photocatalysis, TiO2 has become the material of choice for environmental friendly applications such as self-cleaning coatings. Nevertheless, it remains a significant challenge to realize surfaces exhibiting persistent superhydrophilicity but without the need of external stimuli. We report a bioinspired TiO2 nanostructure that shows extreme superhydrophilicity without the need of light activation, and with stability against successive wetting-dewetting cycles. This ultimate TiO2 wetting surface exhibits high transmittance from near ultraviolet to the infrared, thus enabling practical antifogging technologies where transparency is critical.


Effects of CeO2 Support Facets on VOx/CeO2 Catalysts in Oxidative...  

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

The higher activity for VOxCeO2(110) might be related to the more abundant oxygen vacancies present on the (110) facets, evidenced from Raman spectroscopic measurements....


Structure of rings in vitreous SiO2  

Science Journals Connector (OSTI)

The structure of n-fold rings in vitreous SiO2 is investigated using molecular-dynamics configurations. A recently developed interaction potential for SiO2 consisting of long-range Coulomb interactions, the effect of electronic polarizability, and three-body covalent forces is used in the molecular-dynamics study of the vitreous state. Results for the statistics of rings and distribution of interatomic distances and bond angles in the rings are presented for the vitreous state. The statistics of rings for the molten state is also discussed.

José P. Rino; Ingvar Ebbsjö; Rajiv K. Kalia; Aiichiro Nakano; Priya Vashishta



Molecular Hydrogen Formation from Proximal Glycol Pairs on TiO2...  

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

Hydrogen Formation from Proximal Glycol Pairs on TiO2(110). Molecular Hydrogen Formation from Proximal Glycol Pairs on TiO2(110). Abstract: Understanding hydrogen formation on TiO2...


O2Diesel Corporation formerly Dynamic Ventures | Open Energy Information  

Open Energy Info (EERE)

O2Diesel Corporation formerly Dynamic Ventures O2Diesel Corporation formerly Dynamic Ventures Jump to: navigation, search Name O2Diesel Corporation (formerly Dynamic Ventures) Place Newark, Delaware Zip 19713 Product O2Diesel Corporation has a proprietary additive made from fats and oils, which facilitates the blending of ethanol with diesel. Coordinates 44.690435°, -71.951685° Loading map... {"minzoom":false,"mappingservice":"googlemaps3","type":"ROADMAP","zoom":14,"types":["ROADMAP","SATELLITE","HYBRID","TERRAIN"],"geoservice":"google","maxzoom":false,"width":"600px","height":"350px","centre":false,"title":"","label":"","icon":"","visitedicon":"","lines":[],"polygons":[],"circles":[],"rectangles":[],"copycoords":false,"static":false,"wmsoverlay":"","layers":[],"controls":["pan","zoom","type","scale","streetview"],"zoomstyle":"DEFAULT","typestyle":"DEFAULT","autoinfowindows":false,"kml":[],"gkml":[],"fusiontables":[],"resizable":false,"tilt":0,"kmlrezoom":false,"poi":true,"imageoverlays":[],"markercluster":false,"searchmarkers":"","locations":[{"text":"","title":"","link":null,"lat":44.690435,"lon":-71.951685,"alt":0,"address":"","icon":"","group":"","inlineLabel":"","visitedicon":""}]}


4, 28772914, 2007 Air-sea O2 flux  

E-Print Network [OSTI]

Variability in air-sea O2 and CO2 fluxes and its impact on atmospheric potential oxygen (APO 2 1 National Center for Atmospheric Research, Boulder, Colorado, USA 2 Dept. of Marine Chemistry-friendly Version Interactive Discussion EGU Abstract A three dimensional, time-evolving field of atmospheric

Paris-Sud XI, Université de


O2 microsensors for minimally invasive tissue monitoring  

Science Journals Connector (OSTI)

...range 1030 m. To further create compact systems, the O2 quenched indicator is required to be addressable by a light emitting diode (LED) and a luminescent life- time of greater than 1 s is regarded as appropriate (Klimant et al. 1997...



Methane Combustion over Pd/ZrO2/SiC, Pd/CeO2/SiC, Pd/Zr0.5Ce0.5O2/SiC Catalysts  

E-Print Network [OSTI]

1 Methane Combustion over Pd/ZrO2/SiC, Pd/CeO2/SiC, Pd/Zr0.5Ce0.5O2/SiC Catalysts Xiaoning Guo a Laboratory of Coal Conversion, Institute of Coal Chemistry, Taiyuan 030001, PR China b GREMI UMR6606 CNRS0.5O2 solid solution) modified Pd/SiC catalysts for methane combustion are studied. XRD and XPS

Paris-Sud XI, Université de


Hydrogen production by steam reforming of LNG over Ni/Al2O3-ZrO2 catalysts: Effect of ZrO2 and preparation method of Al2O3-ZrO2  

Science Journals Connector (OSTI)

An Al2O3-ZrO2 support was prepared by grafting a zirconium precursor onto the surface of commercial ?-Al2O3. A physical mixture of Al2O3-ZrO2 was also prepared for the purpose of comparison. Ni/Al2O3-ZrO2 catalys...

Jeong Gil Seo; Min Hye Youn; Sunyoung Park…



Large magnetoresistance in Si : B - Si O 2 - Al structures  

Science Journals Connector (OSTI)

A magnetic-field-dependent resistance change of eight orders of magnitude is observed in boron-doped Si - Si O 2 - Al structures. In order to identify the elementary mechanisms governing this phenomenon the thickness of the oxidic layer which is used as an interface energy barrier has been varied by changing the exposure time to an oxygen plasma. Next the chemical composition has been monitored by in situx-ray photoelectron spectroscopymeasurements. From current-voltage measurements we observe that at low temperatures an ultrathin Si O 2 layer provides the kinetic energy to trigger an autocatalytic process of impact ionization. A magnetic field suppresses the onset of impact ionization to higher electric fields resulting in a large magnetoresistance.

J. J. H. M. Schoonus; J. T. Kohlhepp; H. J. M. Swagten; B. Koopmans



CANMET CO2 Consortium - O2/CO2 Recycle Combustion  

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

CANMET CO CANMET CO 2 Consortium - O 2 /CO 2 Recycle Combustion Background The mission of the U.S. Department of Energy/National Energy Technology Laboratory (DOE/NETL) Existing Plants, Emissions & Capture (EPEC) Research & Development (R&D) Program is to develop innovative environmental control technologies to enable full use of the nation's vast coal reserves, while at the same time allowing the current fleet of coal-fired power plants to comply with existing and emerging environmental


Bond formation at the Ni/ZrO2 interface  

Science Journals Connector (OSTI)

We report on the formation of strong chemical bonds at the Ni(100)/cubic-ZrO2(100) polar interfaces. Ab initio density functional theory calculations demonstrate that both Zr/Ni and O/Ni junctions are energetically stable, and predict that two different interactions determine the interface adhesion. Our results reveal that O-Ni ionic bonds are formed by Ni electron donation, while the Zr-Ni bonds show a mixed character with ionic and electron hybridization contributions.

J. I. Beltrán; S. Gallego; J. Cerdá; J. S. Moya; M. C. Muñoz


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Solar Energy Materials & Solar Cells 87 (2005) 181196 Optical filters from SiO2 and TiO2 multi-layers  

E-Print Network [OSTI]

Solar Energy Materials & Solar Cells 87 (2005) 181­196 Optical filters from SiO2 and TiO2 multi Abstract Sol­gel spin coating process is used to produce optical filters from SiO2 and TiO2 multi- layers­19] properties. They vary according to the chosen substrate, sol, central wavelength, number of layers, optical

Thirumalai, Devarajan


A quantum chemical study of ZrO2 atomic layer deposition growth reactions on the SiO2 surface  

E-Print Network [OSTI]

A quantum chemical study of ZrO2 atomic layer deposition growth reactions on the SiO2 surface Department, Ford Research Laboratory, Ford Motor Company, Dearborn, MI 48121, USA c Department of Chemistry to replace silicon oxide (SiO2) as the gate dielectric for future generation metal-oxide-semiconductor (MOS

Garfunkel, Eric


Potentials of Silver and Gold Electrodes of ZrO2-Based Cells in N2+ O2+ CO2+ CO Gas Mixtures  

Science Journals Connector (OSTI)

Steady-state electrode potentials in cells with a ZrO2+ 10 mol % Y2O3electrolyte are measured at 400 to 500°C in nonequilibrium N2+ O2+ CO2+ CO gas mixtures containing 0–3 and 0–10 vol % of CO and O2, respectivel...

G. I. Fadeev; I. D. Remez



Physisorption of N2, O2, and CO on Fully Oxidized TiO2(110)  

SciTech Connect (OSTI)

Physisorption of N2, O2 and CO was studied on fully oxidized TiO2(110) using beam reflection and temperature programmed desorption (TPD) techniques. Sticking coefficients for all three molecules are nearly equal (0.75 ± 0.05) and approximately independent of coverage suggesting that adsorption occurs via a precursor mediated mechanism. Excluding multilayer coverages, the TPD spectra for all three adsorbates exhibit three distinct coverage regimes that can be interpreted in accord with previous theoretical studies of N2 adsorption. At low coverages (0 to 0.5 N2/Ti4+), N2 molecules bind head-on to five-coordinated Ti4+ ions. The adsorption occurs preferentially on the Ti4+ sites that do not have neighboring adsorbates. This arrangement minimizes the repulsive interactions between the adsorbed molecules along the Ti4+ rows resulting in a relatively small shift of the TPD peak (105 ? 90 K) with increasing coverage. At higher N2 coverages (0 to 1.0 N2/Ti4+) the nearest-neighbor Ti4+ sites become occupied. The close proximity of the adsorbates results in strong repulsion thus giving rise to a significant shift of the TPD leading edges (90 ? 45 K) with increasing coverage. For N2/Ti4+ > 1, an additional low temperature peak (~ 43 K) is present and is ascribed to N2 adsorption on bridge-bonded oxygen rows. The results for O2 and CO are qualitatively similar. The repulsive adsorbate-adsorbate interactions largest for CO, most likely due to aligned CO dipole moments. The coverage dependent binding energies of O2, N2, and CO are determined by inverting TPD profiles.

Dohnalek, Zdenek; Kim, Jooho; Bondarchuk, Oleksander A.; White, J. M.; Kay, Bruce D.



Vibrational dynamics in isotopically substituted vitreous GeO2  

Science Journals Connector (OSTI)

We report the polarized Raman spectra of vitreous Ge O216, Ge O218, Ge70O2, and Ge74O2. This yields the O16?O18 and Ge70?Ge74 isotopic shifts for nearly all vibrational modes of the pure glassy material. The shifts of the broad high-frequency (infrared-active) modes are as predicted by a nearest-neighbor central-force ideal continuous—random-network model. The shift of the broad dominant Raman line indicates a small but significant dependence on the Ge mass, and this suggests an effect of disorder not included in the central-force theory. The narrow "defect" line at 530 cm-1 appears to be all oxygen motion, and is tentatively identified with a regular ring of bonds. The narrow line at 345 cm-1 is unique in that it exhibits very little oxygen shift; it seems to consist largely of Ge motion, for which we have no firm explanation.

F. L. Galeener; A. E. Geissberger; G. W. Ogar; Jr.; R. E. Loehman



A novel hierarchical homogeneous nanoarchitecture of TiO2 nanosheets branched TiO2 nanosheet arrays for high efficiency dye-sensitized solar cells  

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Abstract We report a novel hierarchical homogeneous nanoarchitecture of TiO2 nanosheets branched TiO2 nanosheet arrays, which is formed directly on transparent conductive fluorine-doped tin oxide (FTO) glass substrate through a one-step facile hydrothermal reaction without the use of a seed layer. The hierarchical homogeneous nanoarchitecture is composed of long TiO2 nanosheet trunks grafted with a large number of TiO2 nanosheet branches, which is an effective structure to improve the charge transport with the increase of the specific surface area. Dye-sensitized solar cell (DSSC) based on TiO2 nanosheets branched TiO2 nanosheet arrays can achieve an outstanding power conversion efficiency of 6.66%, which is attributed to the specific performances such as higher specific surface area for adsorbing more dye molecules, superior light scattering capacity for boosting the light-harvesting efficiency and faster charge transport for efficient charge collection.

Bing-Xin Lei; Xiao-Feng Zheng; He-kang Qiao; Yi Li; Shu-Nuo Wang; Guo-Lei Huang; Zhen-Fan Sun



Silicon (100)/SiO2 by XPS  

SciTech Connect (OSTI)

Silicon (100) wafers are ubiquitous in microfabrication and, accordingly, their surface characteristics are important. Herein, we report the analysis of Si (100) via X-ray photoelectron spectroscopy (XPS) using monochromatic Al K radiation. Survey scans show that the material is primarily silicon and oxygen, and the Si 2p region shows two peaks that correspond to elemental silicon and silicon dioxide. Using these peaks the thickness of the native oxide (SiO2) was estimated using the equation of Strohmeier.1 The oxygen peak is symmetric. The material shows small amounts of carbon, fluorine, and nitrogen contamination. These silicon wafers are used as the base material for subsequent growth of templated carbon nanotubes.

Jensen, David S.; Kanyal, Supriya S.; Madaan, Nitesh; Vail, Michael A.; Dadson, Andrew; Engelhard, Mark H.; Linford, Matthew R.



Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A...  

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over Rh-basedSiO2 catalysts: A combined experimental and theoretical modeling study. Ethanol synthesis from syngas over Rh-basedSiO2 catalysts: A combined experimental and...


Investigation of the Rechargeability of Li-O2 Batteries in Non...  

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the Rechargeability of Li-O2 Batteries in Non-aqueous Electrolyte. Investigation of the Rechargeability of Li-O2 Batteries in Non-aqueous Electrolyte. Abstract: In order to...


Effects of electrolyte salts on the performance of Li-O2 batteries...  

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electrolyte salts on the performance of Li-O2 batteries. Effects of electrolyte salts on the performance of Li-O2 batteries. Abstract: It is well known that the stability of...


The Synthesis of Ag-Doped Mesoporous TiO2 . | EMSL  

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The Synthesis of Ag-Doped Mesoporous TiO2 . The Synthesis of Ag-Doped Mesoporous TiO2 . Abstract: Ag-doped mesoporous titanium oxide was prepared using non-ionic surfactants and...


The Synthesis of Cadmium Doped Mesoporous TiO2. | EMSL  

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The Synthesis of Cadmium Doped Mesoporous TiO2. The Synthesis of Cadmium Doped Mesoporous TiO2. Abstract: Cd doped mesoporous titanium oxide was prepared using non-ionic...


Self-assembled TiO2-Graphene Hybrid Nanostructures for Enhanced...  

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TiO2-Graphene Hybrid Nanostructures for Enhanced Li-ion Insertion . Self-assembled TiO2-Graphene Hybrid Nanostructures for Enhanced Li-ion Insertion . Abstract: We used anionic...


Formaldehyde Polymerization on (WO3)3/TiO2(110) Model Catalyst...  

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Formaldehyde Polymerization on (WO3)3TiO2(110) Model Catalyst. Formaldehyde Polymerization on (WO3)3TiO2(110) Model Catalyst. Abstract: Polymerization of formaldehyde, H2CO, was...


Oxidative Dissolution Potential of Biogenic and Abiogenic TcO2...  

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Potential of Biogenic and Abiogenic TcO2 in Subsurface Sediments. Oxidative Dissolution Potential of Biogenic and Abiogenic TcO2 in Subsurface Sediments. Abstract: Technetium-99...


Imaging Adsorbate O-H Bond Cleavage: Methanol on TiO2(110). ...  

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Adsorbate O-H Bond Cleavage: Methanol on TiO2(110). Imaging Adsorbate O-H Bond Cleavage: Methanol on TiO2(110). Abstract: We investigated methanol adsorption and dissociation on...


Two Pathways for Water Interaction with Oxygen Adatoms on TiO2...  

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tunneling microscopy and density functional theory studies show that oxygen adatoms (Oa), produced during O2 exposure of reduced TiO2(110) surfaces, alter the water dissociation...


SiO2 Fracture: Chemomechanics with a Machine Learning Hybrid...  

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SiO2 Fracture: Chemomechanics with a Machine Learning Hybrid QMMM Scheme SiO2 Fracture: Chemomechanics with a Machine Learning Hybrid QMMM Scheme. Close-up of a crack tip in a...


Optical Absorption, Stability and Structure of NpO2+ Complexes with Dicarboxylic Acids  

E-Print Network [OSTI]

Np(V)/IDA complex, the absorption band still shows, but theOptical Absorption, Stability and Structure of NpO 2+and the intensity of the absorption band of NpO 2+ at 980 nm

Guoxin Tian; Linfeng Rao



TiO2 Nanoparticles as a Soft X-ray Molecular Probe  

E-Print Network [OSTI]

Figure 1. TEM image of PAA coated TiO 2 nanoparticles .TOPO with polyacrylic acid (PAA) . Preparation of TiO 2 -TOPO with polyacrylic acid (PAA) 2 . A solution of 0.1 g PAA

Ashcroft, Jared M.


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Chemical Reactivity of Reduced TiO2(110): The dominant role of...  

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Reactivity of Reduced TiO2(110): The dominant role of surface defects in oxygen chemisorption. Chemical Reactivity of Reduced TiO2(110): The dominant role of surface defects in...


Acetone Chemistry on Oxidized and Reduced TiO2(110). | EMSL  

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Acetone Chemistry on Oxidized and Reduced TiO2(110). Acetone Chemistry on Oxidized and Reduced TiO2(110). Abstract: The chemistry of acetone on the oxidized and reduced surfaces of...


Methylene Bromide Chemistry and Photochemistry on Rutile TiO2...  

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Methylene Bromide Chemistry and Photochemistry on Rutile TiO2(110). Methylene Bromide Chemistry and Photochemistry on Rutile TiO2(110). Abstract: The chemistry and photochemistry...


Alcohol Chemistry on Rutile TiO2(110): The Influence of Alkyl...  

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Alcohol Chemistry on Rutile TiO2(110): The Influence of Alkyl Substituents on Reactivity and Selectivity. Alcohol Chemistry on Rutile TiO2(110): The Influence of Alkyl Substituents...


Surface Chemistry of 2-Propanol on TiO2(110): Low and High Temperature...  

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Chemistry of 2-Propanol on TiO2(110): Low and High Temperature Dehydration, Isotope Effects, and Influence of Local Surface Chemistry of 2-Propanol on TiO2(110): Low and High...


Water as a Catalyst: Imaging Reactions of O-2 with Partially...  

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with bridging hydroxyl groups, OHb, formed by H2O dissociation on bridging oxygen vacancies of TiO2 (110) are studied at low and high OHb coverages as a function of the O2...


Assessment of the O2Diesel Operational Safety Program: December 23, 2002 -- June 30, 2007  

SciTech Connect (OSTI)

This report assesses O2Diesel's operational safety program using its ethanol-diesel blended fuel product.




Optical and electrical characterization of the electron beam gun evaporated TiO2 lm  

E-Print Network [OSTI]

Optical and electrical characterization of the electron beam gun evaporated TiO2 ®lm V of TiO2 ®lms obtained by electron beam gun evaporation and annealed in an oxygen environment. A negative with TiO2 insulator ®lms deposited by electron beam gun evaporator. P-type Si wafers (1 0 0 orientation

Eisenstein, Gadi


Structure and Dynamics of CO2 on Rutile TiO2(110)-1×1....  

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CO2 on Rutile TiO2(110)-1×1. Structure and Dynamics of CO2 on Rutile TiO2(110)-1×1. Abstract: Adsorption, binding, and diffusion of CO2 molecules on rutile TiO2(110)...


A UV light enhanced TiO2/graphene device for oxygen sensing at room temperature  

E-Print Network [OSTI]

A UV light enhanced TiO2/graphene device for oxygen sensing at room temperature Jia Zhang,ab Chao temperature oxygen sensor based on TiO2/graphene device was developed with an enhanced sensing performance­hole pairs in the TiO2 film and the photogenerated electrons were scavenged by graphene and percolated

Cao, Wenwu


Electron Source in Photoinduced Hydrogen Production on Pt-Supported TiO2 Particles  

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Electron Source in Photoinduced Hydrogen Production on Pt-Supported TiO2 Particles ... Comment on “Electron Source in Photoinduced Hydrogen Production on Pt-Supported TiO2 Particles” ... Comment on “Electron Source in Photoinduced Hydrogen Production on Pt-Supported TiO2 Particles” ...

Toshiyuki Abe; Eiji Suzuki; Kentaro Nagoshi; Kohichi Miyashita; Masao Kaneko:



Photocatalytic property of Fe3O4/SiO2/TiO2 core-shell nanoparticle with different functional layer thicknesses  

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This study examined the different properties of Fe3O4/SiO2/TiO2 (FST) core-shell nanoparticles encapsulated for one to five different times, represented as FST1 to FST5, respectively. These FST nanoparticles ...

Junyang Li, Libo Gao, Qiang Zhang, Ruiting Feng, Hongyan Xu, Jie Wang, Dong Sun, Chenyang Xue



Heat transfer and friction factor of water based TiO2 and SiO2 nanofluids under turbulent flow in a tube  

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Abstract The heat transfer coefficient and friction factor of TiO2 and SiO2 water based nanofluids flowing in a circular tube under turbulent flow are investigated experimentally under constant heat flux boundary condition. TiO2 and SiO2 nanofluids with an average particle size of 50 nm and 22 nm respectively are used in the working fluid for volume concentrations up to 3.0%. Experiments are conducted at a bulk temperature of 30 °C in the turbulent Reynolds number range of 5000 to 25,000. The enhancements in viscosity and thermal conductivity of TiO2 are greater than SiO2 nanofluid. However, a maximum enhancement of 26% in heat transfer coefficients is obtained with TiO2 nanofluid at 1.0% concentration, while SiO2 nanofluid gave 33% enhancement at 3.0% concentration. The heat transfer coefficients are lower at all other concentrations. The particle concentration at which the nanofluids give maximum heat transfer has been determined and validated with property enhancement ratio. It is observed that the pressure drop is directly proportional to the density of the nanoparticle.

W.H. Azmi; K.V. Sharma; P.K. Sarma; Rizalman Mamat; G. Najafi



PVP-Assisted ZrO2 coating on LiMn2O4 spinel cathode nanoparticles prepared by MnO2 nanowire templates  

E-Print Network [OSTI]

issues regarding the use of LiMn2O4 spi- nels as cathode materials is their large capacity loss observed active material. However, enhanced rate capabilities can be achieved in nanostructured materials becausePVP-Assisted ZrO2 coating on LiMn2O4 spinel cathode nanoparticles prepared by MnO2 nanowire

Cho, Jaephil


Fast Transporting ZnO–TiO2 Coaxial Photoanodes for Dye-Sensitized Solar Cells Based on ALD-Modified SiO2 Aerogel Frameworks  

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To circumvent this problem, we have explored here the idea of conformally coating the silica–ZnO aerogel structures with very thin layers of more robust metal oxides such as Al2O3, ZrO2, or TiO2 to create doubly coaxial structures. ... J–V characteristics of DSSCs featuring 25 ?m thick aerogel-based SiO2–ZnO films compared to similar films with ca. 3 and 4 Å coatings of Al2O3 and TiO2, respectively: (a) light performance; (b) dark performance. ... Figure 7. Plot showing the effects of increased layers of TiO2 coats over 6 nm ZnO-coated silica aerogels with respect to charge lifetimes from OCVD measurements. ...

Vennesa O. Williams; Nak Cheon Jeong; Chaiya Prasittichai; Omar K. Farha; Michael J. Pellin; Joseph T. Hupp



Polarized neutron reflectometry from the interface of the heterostructures SiO2(Co)/Si and SiO2(Co)/GaAs  

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Polarized neutron reflectometry is used to investigate SiO2(Co) granular films (70 at% of Co nanoparticles in SiO2 matrix) deposited on Si and GaAs substrates. The aim of the study is to compare magnetization depth profiles in two systems: in SiO2(Co)/GaAs heterostructure which shows at room temperature giant injection magnetoresistance (IMR) with the system SiO2(Co)/Si which reveals almost no IMR effect. We found that at room temperature and at the same value of external magnetic field mean magnetization in the SiO2(Co)/GaAs sample is much higher than in the case of SiO2(Co)/Si. We also demonstrate that magnetic scattering length density, and hence, magnetization profile strongly depends on the substrate. We show that SiO2(Co)/Si heterostructure is ferromagnetically ordered within the temperature range between 120 and 460 K what could explain a weak IMR.

Ekaterina A. Dyadkina; Natalia A. Grigoryeva; Alexey A. Vorobiev; Sergey V. Grigoriev; Leonid V. Lutsev; Kirill Zhernenkov; Maximilian Wolff; Dieter Lott; Alexander I. Stognij; Nicolay N. Novitskii; Boris P. Toperverg



Investigation on the Charging Process of Li2O2-Based Air Electrodes in Li-O2 Batteries with Organic Carbonate Electrolytes  

SciTech Connect (OSTI)

The charge processes of Li-O2 batteries were investigated by analyzing the gas evolution by in situ gas chromatography-mass spectroscopy (GC/MS) technique. The mixture of Li2O2/Fe3O4/Super P carbon/polyvinylidene fluoride (PVDF) was used as the starting air electrode material and 1M LiTFSI in carbonate-based solvents was used as electrolyte. It was found that Li2O2 is reactive to 1-methyl-2-pyrrolidinone and PVDF binder used in the electrode preparation. During the 1st charge (up to 4.6 V), O2 was the main component in the gases released. The amount of O2 measured by GC/MS was consistent with the amount of Li2O2 decomposed in the electrochemical process as measured by the charge capacity, indicative of the good chargeability of Li2O2. However, after the cell was discharged to 2.0 V in O2 atmosphere and re-charged to ~ 4.6 V in the second cycle, CO2 was dominant in the released gases. Further analysis of the discharged air electrode by X-ray diffraction and Fourier transform infrared spectroscopy indicated that lithium-containing carbonate species (lithium alkyl carbonate and/or Li2CO3) were the main reaction products. Therefore, compatible electrolyte and electrodes as well as the electrode preparation procedures need to be developed for long term operation of rechargeable Li-O2 or Li-air batteries.

Xu, Wu; Viswanathan, Vilayanur V.; Wang, Deyu; Towne, Silas A.; Xiao, Jie; Nie, Zimin; Hu, Dehong; Zhang, Jiguang



Ultraviolet and Visible Photochemistry of Methanol at 3D Mesoporous Networks: TiO2 and Au–TiO2  

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A higher excited-state electron density arises for UV-irradiated TiO2 aerogel relative to commercial nanoparticulate TiO2, indicating that 3D networked TiO2 more efficiently separates electron–hole pairs. ... For both UV and visible irradiation, the same light source was employed: a high-pressure 350-W mercury arc lamp (Oriel Corp.) equipped with a water filter to remove IR radiation. ... For visible irradiation, three bandpass filters (70 nm full-width at half-maximum transmission profile) were used with peak transmissions centered at 400, 500, or 550 nm. ...

Dimitar A. Panayotov; Paul A. DeSario; Jeremy J. Pietron; Todd H. Brintlinger; Lindsey C. Szymczak; Debra R. Rolison; John R. Morris



Photocatalytic effects of wool fibers modified with solely TiO2 nanoparticles and N-doped TiO2 nanoparticles by using hydrothermal method  

Science Journals Connector (OSTI)

Abstract The surfaces of wool fibers are modified with N-doped TiO2 nanoparticles by treating the fibers with tetrabutyl titanate and ammonium chloride under low temperature hydrothermal conditions to obtain wool fibers with photocatalytic functions in the visible light spectrum. The effects of nitrogen and sulfur in amino acids in keratin on the photocatalytic activity of TiO2 particle coated wool fibers are investigated. Changes of various fiber properties such as tensile strength, photocatalytic activity, and self-cleaning performance of untreated, TiO2 coated and N-doped TiO2 coated wool fibers are studied. It is found that N-doped anatase TiO2 nanoparticles with an average grain size of 11.2 nm are synthesized and simultaneously grafted onto the wool fibers. After treatments, the crystallization index of the wool fibers is slightly reduced. The capability to protect against ultraviolet radiation is much enhanced. The performances of photocatalytic degradation of methylene blue dye and self-cleaning of red wine under both UV and visible light irradiation are endowed. It is also found that wool fibers coated with TiO2 particles without being doped by nitrogen still have apparent photocatalytic reactions and self-cleaning effects under visible light irradiation due to the formation of C-Ti3+, O-Ti3+, and N-Ti3+ bonds between TiO2 and wool keratin on the wool fiber surfaces. Thus wool fabrics might not need to be coated with N-doped TiO2 nanoparticles to realize its self-cleaning effect under visible light. Such important conclusions would provide wool materials with wide applications in clothing and technical products such as wastewater treatment.

Hui Zhang; Zhenwei Yang; Xingtao Zhang; Ningtao Mao



High-pressure structure of half-metallic CrO2 B. R. Maddox  

E-Print Network [OSTI]

transition from rutile -CrO2 phase I P42/mnm to orthorhombic -CrO2 phase II CaCl2-like, Pnnm is presented. The transition to the CaCl2 structure, which appears to be second order, occurs at 12±3 GPa without any typically transforms to another sixfold-coordinated structure, CaCl2, or the -PbO2 structure found in shock

Pickett, Warren

Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


HCl Oxidation on IrO2-Based Catalysts: From Fundamentals to Scale-Up  

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HCl Oxidation on IrO2-Based Catalysts: From Fundamentals to Scale-Up ... (ii) Geometric and electronic effects of TiO2-rutile are predicted not to lead to improved HCl oxidation activity for 1 and 2 epilayers of IrO2 over the carrier. ... From a fundamental viewpoint, it would be interesting to assess whether rutile-type oxides exhibit similar Deacon chemistry. ...

Maximilian Moser; Cecilia Mondelli; Amol P. Amrute; Atsushi Tazawa; Detre Teschner; Manfred E. Schuster; Achim Klein-Hoffman; Núria López; Timm Schmidt; Javier Pérez-Ramírez



Crystal phase transition of HfO2 films evaporated by plasma-ion-assisted deposition  

Science Journals Connector (OSTI)

HfO2 is a well-known high-refractive-index material for optical interference coatings from the infrared down to the ultraviolet

Wang, Jue; Maier, Robert L; Schreiber, Horst



Crystal Phase Transition of HfO2 Films Evaporated by Plasma Ion-Assisted Deposition  

Science Journals Connector (OSTI)

HfO2 films were evaluated by spectroscopic ellipsometry, indicating crystal phase transition due to plasma ion momentum transfer during deposition. The film inhomogeneity,...

Wang, Jue; Maier, Robert L; Schreiber, Horst


Photoelectrochemical Water Splitting of Nitrogen and Hydrogen Treated P25 TiO2 Films  

E-Print Network [OSTI]

CdS and CdSe have been successfully employed in the sensitization of TiO 2 . Although sensitization and doping

Zavodivker, Liat Shari



Oxygen-Isotope Exchange between CO2 and Solid Ti18O2  

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Oxygen-Isotope Exchange between CO2 and Solid Ti18O2 ... Analysis of the isotopic composition of the gases produced has revealed ... ...

Svatopluk Civis?; Martin Ferus; Pavel Kuba?t; Marke?ta Zukalova?; Ladislav Kavan



Mechanism of Methane Chemical Looping Combustion with Hematite Promoted with CeO2  

Science Journals Connector (OSTI)

Mechanism of Methane Chemical Looping Combustion with Hematite Promoted with CeO2 ... Industrial & Engineering Chemistry Research2014 53 (42), 16341-16348 ...

Duane D. Miller; Ranjani Siriwardane



Non-conductive TiO2 as the anode catalyst support for PEM water electrolysis  

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The applicability of a non-conductive TiO2 as the support of the anodic catalyst for PEM water electrolysis was tested. Three TiO2 samples with different specific surface areas were modified by IrO2 using a modified version of the Adams fusion method. A constant weight ratio of IrO2/TiO2 of 0.6 was maintained in all cases. The size, specific surface area and morphology of IrO2 electrocatalyst crystallites were investigated by X-ray diffraction, nitrogen adsorption (BET) and scanning electron microscopy, respectively. The electron conductivity of compressed catalyst powders was evaluated. Their electrochemical properties were studied on a rotating disk electrode (RDE) and finally in a laboratory electrolyser. Utilization of the TiO2 support resulted in a reduction in the size of the IrO2 crystallites. It was found that the lower the specific surface area of the supports, the higher was the electrochemical activity of the catalyst. This is most likely due to the formation of a conductive IrO2 film on the surface of non-conductive supports. For the supports with a higher surface area, the amount of IrO2 used was not sufficient to form an adequately compact film. This resulted in high electron resistance of such a catalyst. The RDE results were confirmed by a laboratory electrolysis test. Taken together with the excellent stability of TiO2 in an anodic environment, these results suggest that these materials are promising supports if the appropriate amount of iridium is deposited.

Petr Mazúr; Jakub Polonský; Martin Paidar; Karel Bouzek



Holographically Defined TiO2 Electrodes for Dye-Sensitized Solar Cells  

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Holographically Defined TiO2 Electrodes for Dye-Sensitized Solar Cells ... We analyze the morphological features of the h-TiO2 electrodes and consider their applicability to dye-sensitized solar cells (DSSCs). ... holographic lithography; solar cells ...

Woo-Min Jin; Ju-Hwan Shin; Chang-Yeol Cho; Ji-Hwan Kang; Jong Hyeok Park; Jun Hyuk Moon



Flexible Free-Standing Graphene/SnO2 Nanocomposites Paper for Li-Ion Battery  

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A flexible free-standing graphene/SnO2 nanocomposites paper (GSP) was prepared by coupling a simple filtration method and a thermal reduction together for the first time. Compared with the pure SnO2 nanoparticles, the GSP exhibited a better cycling ...

Junfei Liang; Yue Zhao; Lin Guo; Lidong Li



Interaction of CO2 with Oxygen Adatoms on Rutile TiO2(110). ...  

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

CO2 with Oxygen Adatoms on Rutile TiO2(110). Interaction of CO2 with Oxygen Adatoms on Rutile TiO2(110). Abstract: The interactions of CO2 with oxygen adatoms (Oa’s) on...


Carbon monoxide annealed TiO2 nanotube array electrodes for efficient biosensor applications  

E-Print Network [OSTI]

Carbon monoxide annealed TiO2 nanotube array electrodes for efficient biosensor applications by anodic oxidation of titanium foil followed with O2 and CO annealing were employed as matrices consisted of Ti3+ defects with carbon-doping and exhibited well defined quasi-reversible cyclic voltammetric

Cao, Guozhong


Highly ordered TiO2 macropore arrays as transparent photocatalysts  

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Highly ordered transparent TiO2 macropore arrays were synthesized via a simple glass-clamping method at room temperature. The as-synthesized TiO2 macropore arrays show high transmittance in the visible light region and can be used ...

Yuan Dong; Junfeng Chao; Zhong Xie; Xin Xu; Zhuoran Wang; Di Chen



Surface studies of nitrogen implanted TiO2 Matthias Batzill a,*, Erie H. Morales b  

E-Print Network [OSTI]

.V. All rights reserved. Keywords: Titanium dioxide; Doping; Nitrogen; Surface science 1. IntroductionSurface studies of nitrogen implanted TiO2 Matthias Batzill a,*, Erie H. Morales b , Ulrike Diebold Available online 3 August 2007 Abstract Rutile TiO2(110) single crystals have been doped by nitrogen

Diebold, Ulrike


Synthesis, characterization and performance of vanadium hexacyanoferrate as electrocatalyst of H2O2  

E-Print Network [OSTI]

in environmental, food, and industrial analysis; it is used to pollution control, to bleach textiles and paper.01­3.0 mM H2O2 was constructed. Limit of detection (S/N = 3) of 4 lM H2O2 was calculated. The proposed

Trikalitis, Pantelis N.


Effect of Al addition on the microstructure and electronic structure of HfO2 film  

E-Print Network [OSTI]

Effect of Al addition on the microstructure and electronic structure of HfO2 film X. F. Wang investigated the microstructures and electronic structures of a series of hafnium aluminate HfAlO films with Al concentration ranging from 0% to 100%. When the films evolve from pure HfO2 to pure Al2O3 by increasing

Gong, Xingao


The Ternary System CaO-MgO-SiO2  

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...2SiO2 have not been previously noted. This latter compound has practically identical optical properties with the mineral akermanite for which the formula 8CaO.4MgO.9SiO2 has been proposed, by Schaller. The summarized temperature and concentration relations...

J. B. Ferguson; H. E. Merwin



Transformation plasticity and thermoelastic behavior in ZrO2-containing ceramics  

E-Print Network [OSTI]

565 Transformation plasticity and thermoelastic behavior in ZrO2-containing ceramics A. H. Heuer plasticité de transformation dans ZrO2, qui est responsable de la ré- sistance mécanique et de la grande profit. Dans certaines conditions, cette transformation est réversible, autocatalytique et

Paris-Sud XI, Université de


Photosynthesis Respiration CH2O + O2 CO2 + H2O  

E-Print Network [OSTI]

Energy and life Photosynthesis Respiration CH2O + O2 CO2 + H2O hv Biomass CO2 + H2O CH2O + O2 ASSOCIATED WITH PHOTOSYNTHESIS) #12;ATP*: the "energy currency" of the cell *Adenosine triphospahte) PHOTOSYNTHESIS Light provides the energy for high energy electrons. The source of electrons is water OXIDATIVE


Dimerization Induced Deprotonation of Water on RuO2(110)  

SciTech Connect (OSTI)

RuO2 has proven to be indispensable as a co-catalyst in numerous systems designed for photocatalytic water splitting. In this study we have carried out a detailed mechanistic study of water behavior on the most stable RuO2 face, RuO2(110), by employing variable temperature scanning tunneling microscopy and density functional theory calculations. We show that water monomers adsorb molecularly on Ru sites, become mobile above 238 K, diffuse along the Ru rows and form water dimers. The onset for dimer diffusion is observed at ~277 K indicating significantly higher diffusion barrier than that for monomers. More importantly, we find that water dimers deprotonate readily to form Ru-bound H3O2 and bridging OH species. The observed behavior is compared and contrasted with that observed for water on isostructural rutile TiO2(110).

Mu, Rentao; Cantu Cantu, David; Lin, Xiao; Glezakou, Vassiliki Alexandra; Wang, Zhitao; Lyubinetsky, Igor; Rousseau, Roger J.; Dohnalek, Zdenek



Au/PO43-/TiO2 and PO43-/Au/TiO2 catalysts for CO oxidation: effect of synthesis details on catalytic performance  

SciTech Connect (OSTI)

Supported gold catalysts are active for CO oxidation, but the high-temperature deactivation is a shortcoming that may constrain their applications. Herein, we attempted to address this problem by using phosphate-doped Au/TiO{sub 2} synthesized via two routes. In route I, Au/PO{sub 4}{sup 3-}/TiO{sub 2} catalysts were prepared by treating TiO{sub 2} (Degussa P25) with diluted H{sub 3}PO{sub 4}, followed by loading gold via deposition-precipitation. In route II, PO{sub 4}{sup 3-}/Au/TiO{sub 2} catalysts were prepared by treating H{sub 2}-reduced Au/TiO{sub 2} with diluted H{sub 3}PO{sub 4}. These catalysts were systematically pretreated at 200 or 500 C before reaction testing. The overall CO conversion on 200 C-pretreated Au/PO43-/TiO2 or PO43-/Au/TiO2 was always lower than that on 200 C-pretreated Au/TiO2. However, the advantage of the phosphate addition became apparent after thermal treatment at a higher temperature. Both Au/PO43-/TiO2 and PO43-/Au/TiO2 pretreated at 500 C retained significant activities at room temperature, whereas 500 C-pretreated Au/TiO2 lost its activity. Control experiments and catalyst characterization were performed to investigate the impact of synthesis details on catalytic performance.

Ma, Zhen [ORNL; Overbury, Steven {Steve} H [ORNL; Dai, Sheng [ORNL


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


High-pressure phases in SnO2 to 117 GPa Sean R. Shieh*  

E-Print Network [OSTI]

for SnO2 is rutile-type P42/mnm CaCl2-type Pnnm pyrite-type Pa3¯ ZrO2 orthorhombic phase I Pbca cotunnite of phase transitions from rutile P42/mnm to CaCl2-type Pnnm to -PbO2-type Pbcn to pyrite-type Pa3¯ have the rutile to CaCl2-type transforma- tion near 12 GPa. They also reported that the cubic phase was actually

Duffy, Thomas S.


Optical Absorption, Stability and Structure of NpO2+ Complexeswith Dicarboxylic Acids  

SciTech Connect (OSTI)

Complexation of NpO2+ with oxalic acid (OX),2,2'-oxydiacetic acid (ODA), 2,2'-iminodiacetic acid (IDA) and 2,2'-thiodiacetic acid (TDA), has been studied using spectrophotometry in1 M NaClO4. Both the position and the intensity of the absorption band of NpO2+ at 980 nm are affected by the formation of NpO2+/dicarboxylate complexes, providing useful information on the complexation strength, the coordination mode and the structure of the complexes.

Guoxin Tian; Linfeng Rao



E? Centers in Amorphous SiO2 Revisited: A New Look at an Old Problem  

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We present theoretical evidence that the paramagnetic E? defect centers in amorphous silicon dioxide ( a-SiO2) do not have the same microscopic structures as those well-defined in the corresponding crystalline counterparts such as ?-quartz. We then present alternative models of some paramagnetic defects that account for the underlying experimental features of the E?-center variants in a-SiO2. We suggest that our new model should take the place of the conventional defect model of a-SiO2.

T. Uchino; M. Takahashi; T. Yoko



Electron Source in Photoinduced Hydrogen Production on Pt-supported TiO2 Particles  

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Electron Source in Photoinduced Hydrogen Production on Pt-supported TiO2 Particles ... After recovering the TiO2/Pt particles used in the long-term reaction, they were reused in a photocatalytic H+ reduction by adding methanol as an electron donor, but no H2 production was observed showing that the TiO2/Pt particles have lost their photocatalytic activity after the long-term reaction. ... A 100 W high-pressure Hg lamp was used as a light source. ...

Toshiyuki Abe; Eiji Suzuki; Kentaro Nagoshi; Kohichi Miyashita; Masao Kaneko



Preparation of Highly Transparent TiO2-based Thin Film Photocatalysts by an Ion Engineering Method: Ionized Cluster Beam Deposition  

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Highly transparent TiO2 and TiO2-based binary oxide (TiO2/SiO2 and TiO2/B2O3) thin films of different TiO2 contents were successfully prepared by using an ion engineering technique as a dry process. These transpa...

Masato Takeuchi; Masakazu Anpo



Microelectronically fabricated LiCoO2/SiO2/polycrystalline-silicon power cells planarized by chemical mechanical polishing  

E-Print Network [OSTI]

. Integrating a power unit onto a silicon chip requires the implementation of a thin-film solid-state battery as a solid-state electrolyte in our integrated thin-film battery. This SiO2 electrolyte layer is thermally in the fabrication of the integrated solid-state thin-film lithium-ion battery. Polishing the polysilicon layer


Comparison of the neutron, Raman, and infrared vibrational spectra of vitreous SiO2, GeO2, and BeF2  

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The inelastic neutron, Raman, and infrared vibrational spectra of vitreous SiO2, GeO2, and BeF2 are reported in detail and compared with one another. The neutron spectrum is shown to be a good measure of the vibrational density of states for glassy SiO2 and GeO2, but a poorer measure for BeF2. The density of states is shown to be split into transverse-optical—longitudinal-optical bands whose nature is revealed in the infrared and Raman spectra. Empirical selection rules are noted, including the observation that the HV Raman spectrum "mimics" the density of states, while the HH spectrum is dominated by matrix-element effects. The spectra are discussed in terms of an augmented central-force model which allows prediction of selection rules and relative densities of states. The latter allows an empirical estimate of the frequency dependence of the neutron scattering coupling coefficients, showing relatively weak scattering by acoustic modes, especially in the case of BeF2 glass.

F. L. Galeener; A. J. Leadbetter; M. W. Stringfellow




E-Print Network [OSTI]

. A prominent example of SiO2 surface passivation is given by the world-record solar cell efficiency of the passivated-emitter and rear locally- diffused (PERL) c-Si solar cell [1]. The surface passivation of the as the standard RCA procedure prior to oxidation in a cleaned quartz furnace tube at high temperat


Synthesis and Analysis of TiO2-Oligonucleotide Hybrid Nanoparticles  

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

Synthesis and Analysis of TiO2-Oligonucleotide Hybrid Nanoparticles Synthesis and Analysis of TiO2-Oligonucleotide Hybrid Nanoparticles New developments in nanotechnology offer the creation of chemical-biological hybrid nanocomposites, which can be introduced into cells to initiate intracellular processes or biochemical reactions. Researchers from Northwestern University Medical Center (Chicago, IL) and Argonne National Laboratory synthesized TiO2-oligonucleotide nanocomposites made of DNA oligonucleotides attached to 45-Ã… TiO2 nanoparticles and tested them by using the 2-ID-E x-ray beamline at the X-ray Operations and Research sector 2 of the APS. A key benefit of nanocomposites is that they could advance medical biotechnology and open new doors in chemistry and materials sciences. Scan of a 21 x 21-m area with a single nucleus containing 3.6 x 106 nanoparticles.


Benefits and technological challenges in the implementation of TiO2-based  

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

Benefits and technological challenges in the implementation of TiO2-based Benefits and technological challenges in the implementation of TiO2-based ultraviolet photocatalytic oxidation (UVPCO) air cleaners Title Benefits and technological challenges in the implementation of TiO2-based ultraviolet photocatalytic oxidation (UVPCO) air cleaners Publication Type Conference Proceedings Year of Publication 2008 Authors Hodgson, Alfred T., Hugo Destaillats, Toshifumi Hotchi, and William J. Fisk Conference Name Indoor Air 2008 Pagination 17-22 Date Published August 2008 Publisher Indoor Air, Paper ID: 297 Conference Location Copenhagen, Denmark Abstract Indoor air cleaners based on TiO2 photocatalytic oxidation of organic pollutants are a promising technology to improve or maintain indoor air quality while reducing ventilation energy costs. We evaluated the performance of a pilot scale UVPCO air cleaner under realistic conditions in single pass and recirculation modes


Imaging Water Dissociation on TiO2(110): Evidence for Inequivalent...  

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OH Groups. Abstract: Identical regions of partially reduced TiO2(110) surfaces with bridge-bonded oxygen vacancy (BBOV) concentrations of 10 % ML (1 ML 5.2×1014 cm-2)...


Photoluminescence of SnO2 nanoparticles embedded in Al2O3. |...  

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

in Al2O3 substrate fabricated by ion implantation. Citation: Xiang X, XT Zu, S Zhu, LM Wang, V Shutthanandan, P Nachimuthu, and Y Zhang.2008."Photoluminescence of SnO2...


Ordered mesoporous carbon/SnO2 composites as the electrode material for supercapacitors  

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A series of composites as electrode materials for supercapacitors were prepared via incipient wetness impregnation method utilizing ordered mesoporous carbon (OMC) and tin (IV) oxide (SnO2) with different ratio. ...

Ping Liu ??; Bohejin Tang; Jiachang Zhao…



MnO2-Based Electrochemical Supercapacitors on Flexible Carbon Substrates  

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Manganese dioxide films were grown on large area flexible carbon aerogel substrates. Characterization by x-ray diffraction confirmed ?-MnO2 growth. Three types of films were compared as a function of hexamethylen...

Marko J. Tadjer; Michael A. Mastro; José M. Rojo…



Electrode Characteristics of Individual, MnO2 Coated Carbon Nanotubes  

E-Print Network [OSTI]

MnO2 Coated Carbon Nanotubes Brad L. Corso, Israel Perez,single- walled carbon nanotubes. Li ion cyclic voltammetrysingle-walled carbon nanotubes (SWNTs) that are grown in

Collins, Philip G



TiO2 Nanoparticles as a Soft X-ray Molecular Probe  

SciTech Connect (OSTI)

With the emergence of soft x-ray techniques for imaging cells, there is a pressing need to develop protein localization probes that can be unambiguously identified within the region of x-ray spectrum used for imaging. TiO2 nanocrystal colloids, which have a strong absorption cross-section within the "water-window" region of x-rays, areideally suited as soft x-ray microscopy probes. To demonstrate their efficacy, TiO2-streptavidin nanoconjugates were prepared and subsequently labeled microtubules polymerized from biotinylated tubulin. The microtubules were imaged using scanning transmission x-ray microscopy (STXM), and the TiO2 nanoparticle tags were specifically identified using x-ray absorption near edge spectroscopy (XANES). These experiments demonstrate that TiO2 nanoparticles are potential probes for protein localization analyses using soft x-ray microscopy.

Larabell, Carolyn; Ashcroft, Jared M.; Gu, Weiwei; Zhang, Tierui; Hughes, Steven M.; Hartman, Keith B.; Hofmann, Cristina; Kanaras, Antonios G.; Kilcoyne, David A.; Le Gros, Mark; Yin, Yadong; Alivisatos, A. Paul; Larabell, Carolyn A.



Molecular Hydrogen Formation from Proximal Glycol Pairs on TiO2(110)  

SciTech Connect (OSTI)

Understanding hydrogen formation on TiO2 surfaces is of great importance as it could provide fundamental insight into water splitting for hydrogen production using solar energy. In this work, hydrogen formation from glycols having different numbers of methyl end-groups have been studied using temperature pro-grammed desorption on reduced, hydroxylated, and oxidized TiO2(110) surfaces. The results from OD-labeled glycols demon-strate that gas-phase molecular hydrogen originates exclusively from glycol hydroxyl groups. The yield is controlled by a combi-nation of glycol coverage, steric hindrance, TiO2(110) order and the amount of subsurface charge. Combined, these results show that proximal pairs of hydroxyl aligned glycol molecules and subsurface charge are required to maximize the yield of this redox reaction. These findings highlight the importance of geometric and electronic effects in hydrogen formation from adsorbates on TiO2(110).

Chen, Long; Li, Zhenjun; Smith, R. Scott; Kay, Bruce D.; Dohnalek, Zdenek



Anodic CaO-TiO2 nanotubes composite film for low temperature CO2 adsorption  

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A novel one-dimensional anodic CaO-TiO2 nanotubes composite film was prepared using a rapid-anodic oxidation electrochemical anodization technique for low temperature CO2 absorption application. This study aims to determine the ...

Chin Wei Lai



Atomic Structure of the Anatase TiO2(001) Surface  

SciTech Connect (OSTI)

Understanding the structure of well-defined anatase TiO2 surfaces is critical for deciphering site-specific thermal and photo- reaction mechanisms on anatase TiO2. Using UHV scanning tunneling microscopy (STM), we have studied the atomic structure of anatase TiO2(001) epitaxial thin films grown by oxygen plasma assisted molecular beam epitaxy. Bright rows of the (1×4) reconstructed surface are resolved as three types of features with different sizes. High-resolution STM images taken from the same area at different bias voltages show that these individual features are originated from combinations of two basic atomic building blocks. We propose a modified added molecule model for the anatase TiO2 (001) surface structure.

Xia, Yaobiao; Zhu, Ke; Kaspar, Tiffany C.; Du, Yingge; Birmingham, Blake; Park, Kenneth T.; Zhang, Zhenrong



Selectivity Changes During Organic Photooxidation on TiO2: Role...  

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

but the t-butyl radical has several options for thermal chemistry. In ultrahigh vacuum (UHV), where the O2 partial pressure is <1x10-10 torr, the TMA photodecomposition results...

Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Atomic Structure of the Anatase TiO2(001) Surface. | EMSL  

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

deciphering site-specific thermal and photo- reaction mechanisms on anatase TiO2. Using UHV scanning tunneling microscopy (STM), we have studied the atomic structure of anatase...


LiCoO2-and LiMn2O4-based composite cathode materials  

Science Journals Connector (OSTI)

We have prepared composite cathode materials based on two electrochemically active compounds, LiCoO2 and LiMn2O4..., and investigated their properties. The results indicate that the discharge capacities of all th...

Ya. V. Shatilo; E. V. Makhonina; V. S. Pervov; V. S. Dubasova…



Increment of specific heat capacity of solar salt with SiO2 nanoparticles  

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In this work, salt-based nanofluid based on solar salt and SiO2...nanoparticles prepared by the Shin and Banerjee method was investigated. The optimal nanoparticle concentration was found and the stability of the...

Patricia Andreu-Cabedo; Rosa Mondragon; Leonor Hernandez…



Sn and SnO2-graphene composites as anode materials for lithium-ion batteries  

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Sn and SnO2-graphene composites were synthesized using hydrothermal process, followed by annealing in Ar/H2 atmosphere, and characterized using x-ray diffraction, scanning electron microscopy, and transition elec...

Qi-Hui Wu; Chundong Wang; Jian-Guo Ren



SnO2/graphene composite with high lithium storage capability for lithium rechargeable batteries  

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SnO2/graphene nanocomposites have been fabricated by a simple...2...nanoparticles to be formed and uniformly decorated on the graphene. The electrostatic attraction between a graphene nanosheet (GNS) and the echi...

Haegyeom Kim; Sung-Wook Kim; Young-Uk Park; Hyeokjo Gwon; Dong-Hwa Seo…



TiO2/graphene nanocomposites as anode materials for high rate lithium-ion batteries  

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A simple strategy to prepare a hybrid of nanocomposites of anatase TiO2/graphene nanosheets (GNS) as anode materials for lithium-ion batteries was reported. The morphology and crystal structure...2/GNS electrode ...

Yi-ping Tang ???; Shi-ming Wang ???; Xiao-xu Tan ???…




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

Technical Report RPSEA - Research Partnership to Secure Energy for America Report No.: 15U502I-11, Rev. 2 Document No.: 15U5O2I-11 Date: 2014-12-30 DNV GL - Report No....


TiO2-based photocatalytic process for purification of polluted water: bridging fundamentals to applications  

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Recent years have witnessed a rapid accumulation of investigations on TiO2-based photocatalysis, which poses as a greatly promising advanced oxidation technology for water purification. As the ability of this advanced oxidation process is ...

Chuan Wang; Hong Liu; Yanzhen Qu



The progress of TiO2 nanocrystals doped with rare earth ions  

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In the past decades, TiO2 nanocrystals (NCs) have been widely studied in the fields of photoelectric devices, optical communication, and environment for their stability in aqueous solution, being nontoxic, cheapness, and so on. Among the three ...

Hai Liu; Lixin Yu; Weifan Chen; Yingyi Li



Thermal analyses of LiCoO2 lithium-ion battery during oven tests  

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A three dimensional thermal abuse model for graphite/LiPF6/LiCoO2 batteries is established particularly for oven tests. To ... of heat release condition and oven temperature on battery thermal behaviors, we perfo...

Peng Peng; Yiqiong Sun; Fangming Jiang



Synthesis and photocatalytic activity of ZnO/TiO2 nanoparticle  

Science Journals Connector (OSTI)

ZnO/TiO2 photocatalysts were synthesised via wet-chemical techniques. These can subsequently be used as efficient photocatalysts which can effectively degrade organic contaminants. Photocatalysts prepared with these techniques were characterised with X-ray diffraction (XRD), infrared (FTIR) spectrophotometer, UV-visible spectroscopy and photo luminescence. XRD confirmed the formation of ZnO/TiO2 nanoparticle. UV-visible spectroscopy showed significant difference in the optical absorption. Enhancement in optical absorption of ZnO/TiO2 indicated that it can be used as an efficient photocatalyst under UV irradiation. The photo-reduction activities of photocatalysts were evaluated using methyl orange as organic contaminant. The experiment demonstrated that the photo-degradation value of ZnO/TiO2 was significantly higher than that of ZnO.

R. Parimaladevi; K. Sumathi



Ion-beam engineering of Co/TiO2 multilayer nanostructures  

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Multilayer structures consisting of Co/TiO2 bilayers with partial layer thicknesses varied within several nanometers and a total thickness of up to 100 nm were obtained using the ion-beam sputter deposition metho...

A. I. Stognij; M. V. Pashkevich; N. N. Novitskii…



Scanning tunneling microscopy investigation of the TiO2 anatase ,,101... surface Wilhelm Hebenstreit,1  

E-Print Network [OSTI]

of tunneling sites in STM. Titanium dioxide (TiO2) is a versatile material that finds uses as a promoter. Fourfold-coordinated Ti atoms at step edges are preferred adsorption sites and allow the identification

Diebold, Ulrike


Invoking any Intel compiler with -g defaults to -O2 optimization...  

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

Invoking any Intel compiler with a Cray wrapper with -g defaults to -O2 optimization contrary to the Intel compiler man pages Invoking any Intel compiler with a Cray wrapper with...


EPR Study of the Surface Characteristics of Nanostructured TiO2 under UV Irradiation  

E-Print Network [OSTI]

EPR Study of the Surface Characteristics of Nanostructured TiO2 under UV Irradiation Juan M of EPR spectroscopy. The samples of the H series present the smallest crystallite size and after


Oxy-coal combustion: stability of coaxial pulverized coal flames in O2/CO2 environments.  

E-Print Network [OSTI]

??Oxy-coal combustion, in which air is replaced by an O2/ CO2 mixture, is one of the few technologies that may allow CO2 capture and sequestration… (more)

Zhang, Jingwei



Transmission electron microscopy studies of GaN/gamma-LiAlO 2 heterostructures.  

E-Print Network [OSTI]

??Die vorliegende Arbeit beschaeftigt sich mit dem strukturellen Aufbau von (1-100) M-plane GaN, das mit plasmaunterstuetzter Molekularstrahlepitaxie auf gamma-LiAlO2(100) Substraten gewachsen wurde. Die heteroepitaktische Ausrichtung… (more)

Liu, Tian-Yu



Formation of O Adatom Pairs and Charge Transfer upon O-2 Dissociation...  

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

Furthermore, our results suggest that the itinerant electrons associated with the O vacancies are being utilized in the O2 dissociation process at the Ti row, whereas at least...


Enhanced Electrooxidation of Ethanol Using Pd/C + TiO2 Electrocatalysts in Alkaline Media  

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This work describes the use of Pd nanoparticles synthetized by the borohydride process and supported on physical mixtures of C + TiO2 toward the ethanol electrooxidation reaction in alkaline media. In this...2 ra...

J. C. M. Silva; G. S. Buzzo; R. F. B. De Souza; E. V. Spinacé…



Hydrothermal ethanol conversion on Ag, Cu, Au/TiO2  

Science Journals Connector (OSTI)

The effect UV irradiation and silver, copper, and gold ions (M z+) supported on titania (anatase) have on the activity of M/TiO2 samples in ethanol conversion at 150–400°C is examined....2 and A...

Do Tkhyui Mai; I. I. Mikhalenko; A. I. Pylinina


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Photocatalytic performance of TiO2 thin films connected with Cu micro-grid  

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Aiming at reducing the recombination of photo-induced carriers in semiconductor photocatalytic process, we prepared TiO2...thin film with its surface modified by a connected Cu micro-grid via a microsphere lithog...

HaiLing Zhu; JunYing Zhang; TianMin Wang…



Porous TiO2 microspheres with tunable properties for photocatalytic air purification Alberto Naldoni a,  

E-Print Network [OSTI]

, continuous operation, facile scale-up process from small to large production, and thorough control overPorous TiO2 microspheres with tunable properties for photocatalytic air purification Alberto

Suslick, Kenneth S.


GEOCARBSULF: A combined model for Phanerozoic atmospheric O2 and CO2  

Science Journals Connector (OSTI)

A model for the combined long-term cycles of carbon and sulfur has been constructed which combines all the factors modifying weathering and degassing of the GEOCARB III model [Berner R.A., Kothavala Z., 2001. GEOCARB III: a revised model of atmospheric CO2 over Phanerozoic time. Am. J. Sci. 301, 182–204] for CO2 with rapid recycling and oxygen dependent carbon and sulfur isotope fractionation of an isotope mass balance model for O2 [Berner R.A., 2001. Modeling atmospheric O2 over Phanerozoic time. Geochim. Cosmochim. Acta 65, 685–694]. New isotopic data for both carbon and sulfur are used and new feedbacks are created by combining the models. Sensitivity analysis is done by determining (1) the effect on weathering rates of using rapid recycling (rapid recycling treats carbon and sulfur weathering in terms of young rapidly weathering rocks and older more slowly weathering rocks); (2) the effect on O2 of using different initial starting conditions; (3) the effect on O2 of using different data for carbon isotope fractionation during photosynthesis and alternative values of oceanic ?13C for the past 200 million years; (4) the effect on sulfur isotope fractionation and on O2 of varying the size of O2 feedback during sedimentary pyrite formation; (5) the effect on O2 of varying the dependence of organic matter and pyrite weathering on tectonic uplift plus erosion, and the degree of exposure of coastal lands by sea level change; (6) the effect on CO2 of adding the variability of volcanic rock weathering over time [Berner, R.A., 2006. Inclusion of the weathering of volcanic rocks in the GEOCARBSULF model. Am. J. Sci. 306 (in press)]. Results show a similar trend of atmospheric CO2 over the Phanerozoic to the results of GEOCARB III, but with some differences during the early Paleozoic and, for variable volcanic rock weathering, lower CO2 values during the Mesozoic. Atmospheric oxygen shows a major broad late Paleozoic peak with a maximum value of about 30% O2 in the Permian, a secondary less-broad peak centered near the Silurian/Devonian boundary, variation between 15% and 20% O2 during the Cambrian and Ordovician, a very sharp drop from 30% to 15% O2 at the Permo-Triassic boundary, and a more-or less continuous rise in O2 from the late Triassic to the present.

Robert A. Berner



Electrochemical evaluation of LiCoO2 synthesized by decomposition and intercalation of hydroxides  

E-Print Network [OSTI]

in commercial lithi- um-ion battery manufacturing [4±6]. Synthesis of LiCoO2 is typically carried out by a solid-state March 1998; accepted in revised form 19 May 1998 LiCoO2 has been synthesized by a solid-state synthesis the electrochemical perfor- mance. In a previous paper [13], we reported a new solid- state reaction method that can

Sadoway, Donald Robert


Understanding of catalytic behaviors of TiO2/CuOx catalysts  

SciTech Connect (OSTI)

Aiming to reveal the catalysis at the metal-oxide and oxide-oxide interfaces,1,2 the water-gas shift reaction (WGS, CO + H2O and #61664; CO2 + H2) and CO oxidation (2CO + O2 and #61664; 2CO2) at the interface of the Cu(111) and Cu2O(111) supported TiO2 clusters were studied based on DFT calculations

Kim H. Y.; Liu, P.



Factors Affecting UV-Induced Superhydrophilic Conversion of a TiO2 Surface  

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Factors Affecting UV-Induced Superhydrophilic Conversion of a TiO2 Surface ... Particularly, the maximum extrema in spectral dependence of the efficiency of photoinduced hydrophilic conversion correspond to the energies of the first indirect and first direct electronic band-to-band transitions in TiO2. ... To estimate the efficiency of the photoinduced surface hydrophilic conversion, we used two parameters: initial rate of contact angle alteration and initial rate of surface energy alteration. ...

Alexei V. Emeline; Aida V. Rudakova; Munetoshi Sakai; Taketoshi Murakami; Akira Fujishima



Visible-Light Responsive Photocatalytic Fuel Cell Based on Ag/TiO2-NTs Photoanode and Cu2O/TiO2 Photocathode for Simultaneous Wastewater Treatment and Electricity Generation  

Science Journals Connector (OSTI)

A visible-light driven photocatalytic fuel cell (PFC) system comprised of Ag/TiO2-NTs photoanode and Cu2O/TiO2/Ti photocathode was established for providing a self-sustained and...

Liao, Wenjuan


Effect of TiO2 Content on Ethanol Electrooxidation in Alkaline Media Using Pt Nanoparticles Supported on Physical Mixtures of Carbon and TiO2 as Electrocatalysts  

Science Journals Connector (OSTI)

Pt nanoparticles supported on physical mixtures of carbon and TiO2 (Pt/(C?+?TiO2) electrocatalyst) were tested for ethanol electrooxidation in alkaline media. The electrocatalysts were...2 mass ratios using boroh...

R. F. B. De Souza; G. S. Buzzo; J. C. M. Silva; E. V. Spinacé…



Results from ORNL characterization of ZrO2-500-AK2 - surrogate TRISO material  

SciTech Connect (OSTI)

This document is a compilation of the characterization data for the TRISO-coated surrogate particles designated ZrO2-500-AK2 that was produced at Oak Ridge National Laboratory (ORNL) as part of the Advanced Gas Reactor Fuel Development and Qualification (AGR) program. The ZrO2-500-AK2 material contains nominally 500 {micro}m kernels of yttria-stabilized zirconia (YSZ) coated with all TRISO layers (buffer, inner pyrocarbon, silicon carbide, and outer pyrocarbon). The ZrO2-500-AK2 material was created for: (1) irradiation testing in the High Flux Isotope Reactor (HFIR) and (2) limited dissemination to laboratories as deemed appropriate to the AGR program. This material was created midway into a TRISO fuel development program to accommodate a sudden opportunity to perform irradiation testing on surrogate material. While the layer deposition processes were chosen based on the best technical understanding at the time, technical progress at ORNL has led to an evolution in the perceived optimal deposition conditions since the creation of ZrO2-500-AK2. Thus, ZrO2-500-AK2 contains a reasonable TRISO microstructure, but does differ significantly from currently produced TRISO surrogates and fuel at ORNL. In this document, characterization data of the ZrO2-500-AK2 surrogate includes: size, shape, coating thickness, and density.

Kercher, Andrew K [ORNL; Hunn, John D [ORNL



Class D IOT Transmitter Concept Advantages Challenges  

E-Print Network [OSTI]

· (Year 1) Study detailed physics of grid PM of high-power electron guns ­ Heat load ­ Characteristics Grid, eliminate RF drive Bandwidth and R/Q Matching Simple modulation Grid performance Digital control of FM, AM Matching Beam Supply Floating Deck Grid Pulser System Control Feedback Fiber Optic Interface

Anlage, Steven


Mineralization of Basalts in the CO2-H2O-SO2-O2 System. | EMSL  

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

SO2-O2 System. Mineralization of Basalts in the CO2-H2O-SO2-O2 System. Abstract: Sequestering carbon dioxide (CO2) containing minor amounts of co-contaminants in geologic...


Preparation of TiO2(110)-(1x1) Surface via UHV Cleavage: An scanning...  

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

Preparation of TiO2(110)-(1x1) Surface via UHV Cleavage: An scanning tunneling microscopy study. Preparation of TiO2(110)-(1x1) Surface via UHV Cleavage: An scanning tunneling...


TiO2 nanoparticles on nitrogen-doped graphene as anode material for lithium ion batteries  

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Anatase TiO2...nanoparticles in situ grown on nitrogen-doped, reduced graphene oxide (rGO) have been successfully synthesized ... as an anode material for the lithium ion battery. The nanosized TiO2 particles wer...

Dan Li; Dongqi Shi; Zongwen Liu; Huakun Liu…



Atomic Layer Deposition of TiO2 on Aerogel Templates: New Photoanodes for Dye-Sensitized Solar Cells  

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Atomic layer deposition was employed to coat the aerogel template conformally with various thicknesses of TiO2 with subnanometer precision. ... The TiO2-coated aerogel membranes were incorporated as photoanodes in dye-sensitized solar cells. ...

Thomas W. Hamann; Alex B. F. Martinson; Jeffrey W. Elam; Michael J. Pellin; Joseph T. Hupp



A VUV photoionization measurement and ab-initio calculation of the ionization energy of gas phase SiO2  

E-Print Network [OSTI]

g [O-Si-O] + . Electronic structure calculations aid in thewith CO 2 . Electronic structure calculations were performedSiO 2 PIE. Electronic structure calculations on SiO 2 and

Kostko, Oleg



Development of Compact Gaseous Sensors with Internal Reference for Monitoring O2 and NOx in Combustion Environments  

Broader source: Energy.gov [DOE]

Compact sensors have been developed to allow for real-time monitoring of O2 and NOx during combustion.


Comparison of Ag and SiO2 Nanoparticles for Light Trapping Applications in Silicon Thin Film Solar Cells  

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Comparison of Ag and SiO2 Nanoparticles for Light Trapping Applications in Silicon Thin Film Solar Cells ... † Department

Martin Theuring; Peng Hui Wang; Martin Vehse; Volker Steenhoff; Karsten von Maydell; Carsten Agert; Alexandre G. Brolo



TiO2-Coated Ultrathin SnO2 Nanosheets Used as Photoanodes for Dye-Sensitized Solar Cells with High Efficiency  

Science Journals Connector (OSTI)

According to the EIS model, the lifetime of electrons in the oxide film (?r) can be estimated from the maximum angular frequency (?max) of the impedance semicircle arc at middle frequencies in the Bode spectrum. ... Zn stannate can be an interesting mesoporous material for DSSC, provided dyes are used which have a higher position of the LUMO compared to that of N719, as it will permit attaining higher photovoltages without affecting the photocurrent. ... The power conversion efficiency (6.40%) of dye-sensitized solar cell based on hierarchical SnO2 octahedra which has a 23% increase compared with that of SnO2 nanoparticle photoelectrode (5.21%) is mainly ascribed to the efficient light scattering for the former, which is further confirmed by the UV/visible reflectance spectra. ...

Jun Xing; Wen Qi Fang; Zhen Li; Hua Gui Yang



Chemistry of NOx on TiO2 surfaces studied by ambient pressure XPS:  

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

Chemistry of NOx on TiO2 surfaces studied by ambient pressure XPS: Chemistry of NOx on TiO2 surfaces studied by ambient pressure XPS: products, effect of UV irradiation, water and coadsorbed K+ Title Chemistry of NOx on TiO2 surfaces studied by ambient pressure XPS: products, effect of UV irradiation, water and coadsorbed K+ Publication Type Journal Article Year of Publication 2013 Authors Rosseler, Olivier, Mohamad Sleiman, Nahuel V. Montesinos, Andrey Shavorskiy, Valerie Keller, Nicolas Keller, Marta I. Litter, Hendrik Bluhm, Miquel Salmeron, and Hugo Destaillats Journal J. Phys. Chem. Lett. Volume 4 Start Page 536 Issue 3 Pagination 536-541 Date Published 01/2013 Abstract Self-cleaning surfaces containing TiO2 nanoparticles have been postulated to efficiently remove NOx from the atmosphere. However, UV irradiation of NOx adsorbed on TiO2 also was shown to form harmful gas-phase byproducts such as HONO and N2O that may limit their depolluting potential. Ambient pressure XPS was used to study surface and gas-phase species formed during adsorption of NO2 on TiO2 and subsequent UV irradiation at λ = 365 nm. It is shown here that NO3-, adsorbed on TiO2 as a byproduct of NO2 disproportionation, was quantitatively converted to surface NO2 and other reduced nitrogenated species under UV irradiation in the absence of moisture. When water vapor was present, a faster NO3- conversion occurred, leading to a net loss of surface-bound nitrogenated species. Strongly adsorbed NO3- in the vicinity of coadsorbed K+ cations was stable under UV light, leading to an efficient capture of nitrogenated compounds.


CdS quantum dot sensitized nanocrystalline Gd-doped TiO2 thin films for photoelectrochemical solar cells  

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CdS quantum dot sensitized Gd-doped TiO2 nanocrystalline thin films have been prepared by chemical method. X-ray diffraction analysis reveals that TiO2 and Gd-doped TiO2...nanocrystalline thin films are of anatas...

A. Ranjitha; N. Muthukumarasamy…


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Preparation of Al2O3/TiO2-containing Coating on Aluminium Alloys by Micro-arc Oxidation  

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TiO2-containing ceramic coatings were deposited on the surface of aluminium alloys by micro-arc oxidition. Surface and cross-section topograph of ceramic coating were observed using scanning electron microscopy (SEM). The phase composition of ceramic ... Keywords: Micro-arc oxidation, TiO2 additive, Al2O3/TiO2 phase, antiwear behavior

Cheng Gao; Jinyong Xu; Yusheng Lan; Yonghui Ma; Weixiang Su; Yajuan Liu



Argon metastable densities in radio frequency Ar, Ar/O2 and Ar/CF4 electrical discharges  

E-Print Network [OSTI]

Argon metastable densities in radio frequency Ar, Ar/O2 and Ar/CF4 electrical discharges Shahid. In this article, we present results from a two-dimensional computer simulation of Ar, Ar/O2, and Ar/CF4 discharges in the ambipolar electric field resulting from electrode structures. Additions of small amounts of O2 and CF4

Kushner, Mark


Synthesis and structure of Al clusters supported on TiO2,,110...: A scanning tunneling microscopy study  

E-Print Network [OSTI]

Synthesis and structure of Al clusters supported on TiO2,,110...: A scanning tunneling microscopy, Texas 77843-3255 Received 14 October 1997; accepted 6 April 1998 Al clusters supported on TiO2(110) have been investigated using scanning tunneling microscopy. Al interacts strongly with the TiO2(110) surface

Goodman, Wayne


Anodic bonding of glass-ceramics to stainless steel coated with intermediate SiO2 layer  

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The anodic bonding between glass-ceramics and stainless steel (No. 430#) which was coated with SiO"2 layer were investigated. The SiO"2 layers with thickness comprised between 150 and 250nm were coated on stainless steel surfaces by sol-gel method, the ... Keywords: Anodic bonding, Glass-ceramics, Intermediate layer, SiO2, Stainless steel

Dehua Xiong; Jinshu Cheng; Hong Li; Wei Deng; Kai Ye



Observations of O2:CO2 exchange ratios during ecosystem gas W. A. Brand, M. Heimann, and J. Lloyd2  

E-Print Network [OSTI]

and respiration, thermal ingassing and outgassing of O2 in ocean water, and combustion of fossil fuels and biomass than would be expected from fossil fuel combustion. This implies that the terrestrial biosphere has combustion consumes O2 and produces CO2 with exchange ratios (defined here as Ã?D[O2]/D[CO2]) varying from


A Study of Oxygen Vacancy Formation and Annihilation in Submonolayer Coverages of TiO2 Dispersed on MCM-48  

E-Print Network [OSTI]

A Study of Oxygen Vacancy Formation and Annihilation in Submonolayer Coverages of TiO2 Dispersed.932), suggesting the formation of oxygen vacancies. The fraction of Ti that could be reduced increased with TiO2 the TiO2 overlayer as the size of the titania patches increases. The amount of oxygen removed during

Bell, Alexis


Structure, Properties, and Dynamics of Oxygen Vacancies in Amorphous SiO2 Zhong-Yi Lu,1  

E-Print Network [OSTI]

Structure, Properties, and Dynamics of Oxygen Vacancies in Amorphous SiO2 Zhong-Yi Lu,1 C. J vacancies in SiO2 have long been regarded as bistable, forming a Si-Si dimer when neutral and a puckered configuration when positively charged. We report first-principles calculations of O vacancies in amorphous SiO2

Pantelides, Sokrates T.


Preparation and properties of Al-PILC supported SO42?/TiO2 superacid catalyst  

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SO42?/TiO2/Al-pillared clay (ST/Al-PILC) superacid catalyst was prepared by loading active component SO42?/TiO2 on Al-pillared clay. The texture structure properties of the catalyst were studied by means of X-ray powder diffraction and the adsorption of N2. Acidity properties of the catalyst were tested by Hammett indicator method and FT-IR spectra of absorbed pyridine technique. The characterization results indicated that Al-PILC carrier could inhibit the formation of anatase TiO2 and the transformation of anatase TiO2 into rutile TiO2. ST/Al-PILC catalyst possesses both Lewis and Brönsted acid sites, and the number of acid sites on ST/Al-PILC is much larger than that on Al-PILC carrier, but its acid strength is lower than that of ST. Experimental results show that ST/Al-PILC is an effective catalyst for esterification of n-pentanol with benzoic acid.

Yue-Xiu Jiang; Xiao-Mei Chen; Yun-Fen Mo; Zhang-Fa Tong



Nanostructured F doped IrO2 electro-catalyst powders for PEM based water electrolysis  

Science Journals Connector (OSTI)

Abstract Fluorine doped iridium oxide (IrO2:F) powders with varying F content ranging from 0 to 20 wt.% has been synthesized by using a modification of the Adams fusion method. The precursors (IrCl4 and NH4F) are mixed with NaNO3 and heated to elevated temperatures to form high surface area nanomaterials as electro-catalysts for PEM based water electrolysis. The catalysts were then coated on a porous Ti substrate and have been studied for the oxygen evolution reaction in PEM based water electrolysis. The IrO2:F with an optimum composition of IrO2:10 wt.% F shows remarkably superior electrochemical activity and chemical stability compared to pure IrO2. The results have also been supported via kinetic studies by conducting rotating disk electrode (RDE) experiments. The RDE studies confirm that the electro-catalysts follow the two electron transfer reaction for electrolysis with calculated activation energy of ?25 kJ mol?1. Single full cell tests conducted also validate the superior electrochemical activity of the 10 wt.% F doped IrO2.

Karan Sandeep Kadakia; Prashanth H. Jampani; Oleg I. Velikokhatnyi; Moni Kanchan Datta; Sung Kyoo Park; Dae Ho Hong; Sung Jae Chung; Prashant N. Kumta



Modern Records of Atmospheric Oxygen (O2) from Scripps Institution of  

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

Atmospheric Trace Gases » Oxygen » Modern Records of Atmospheric Oxygen Atmospheric Trace Gases » Oxygen » Modern Records of Atmospheric Oxygen (O2) from Scripps Institution of Oceanography Modern Records of Atmospheric Oxygen (O2) from Scripps Institution of Oceanography Introduction This page provides an introduction and links to records of atmospheric oxygen (O2) concentrations at nine currently active stations. Records since 1989 are available from Scripps Pier and Alert, Alaska, although these are not continuous. Continuous records from seven stations extend back to 1993, and data for the other two stations (Cold Bay, Alaska and Palmer Station, Antarctica) are available back to the mid 1990s. These data are from remote locations or other locations situated so that they represent averages over large portions of the globe rather than local background sources.


Dissociative electron attachment and electron-impact resonant dissociation of vibrationally excited O2 molecules  

E-Print Network [OSTI]

State-by-state cross sections for dissociative electron attachment and electron-impact dissociation for molecular oxygen are computed using ab initio resonance curves calculated with the R-matrix method. When O2 is in its vibrational ground state, the main contribution for both processes comes from the $^2\\Pi_u$ resonance state of $O_2^-$ but with a significant contribution from the $^4\\Sigma$ resonant state. Vibrational excitation leads to an increased contribution from the low-lying $^2\\Pi_{g}$ resonance, greatly increased cross sections for both processes, and the threshold moving to lower energies. These results provide important input for models of O2-containing plasmas in nonequilibrium conditions.

Laporta, V; Tennyson, J



Impact of active material surface area on thermal stability of LiCoO2 cathode  

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Abstract Thermal stability of charged LiCoO2 cathodes with various surface areas of active material is investigated in order to quantify the effect of LiCoO2 surface area on thermal stability of cathode. Thermogravimetric analyses and calorimetry have been conducted on charged cathodes with different active material surface areas. Besides reduced thermal stability, high surface area also changes the active material decomposition reaction and induces side reactions with additives. Thermal analyses of LiCoO2 delithiated chemically without any additives or with a single additive have been conducted to elaborate the effect of particle size on side reactions. Stability of cathode–electrolyte system has been investigated by accelerating rate calorimetry (ARC). Arrhenius activation energy of cathode decomposition has been calculated as function of conversion at different surface area of active material.

Jan Geder; Harry E. Hoster; Andreas Jossen; Jürgen Garche; Denis Y.W. Yu



Functionalization of Biomass Carbonaceous Aerogels: Selective Preparation of MnO2@CA Composites for Supercapacitors  

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In this work, we present a facile and scalable method to synthesize MnO2 loaded carbonaceous aerogel (MnO2@CA) composites via the hydrothermal carbonaceous (HTC) process. ... Carbon-based materials have received the most attention for their remarkable and unusual physicochemical properties, motivated by their potential importance in separation science, heterogeneous catalyst supports, and water purification filters, and as well as the developing areas of energy generation and storage. ... The obtained samples were filtered, washed several times with deionized water and dehydrated alcohol to remove impurities and excess ions, and then dried in air at 60 °C for 24 h. ...

Yumei Ren; Qun Xu; Jianmin Zhang; Hongxia Yang; Bo Wang; Daoyuan Yang; Junhua Hu; Zhimin Liu



Photooxidation and Photodesorption in the Photochemistry of Isobutene on TiO2(110)  

SciTech Connect (OSTI)

The photochemistry of isobutene was examined on the rutile TiO2(110) surface as a function of the surface pretreatment condition and irradiation temperature using temperature programmed desorption (TPD) and photon stimulated desorption (PSD). Isobutene adsorbs molecularly on the clean TiO2(110) surface without detectable thermal decomposition. Preadsorption of oxygen, either as atoms or chemisorbed molecules, did not promote thermal reactions with isobutene, but instead blocked isobutene adsorption sites. Ultraviolet (UV) light irradiation of isobutene adsorbed on the clean surface led to depletion through photodesorption without significant photodecomposition. Isobutene PSD yields increased with increasing surface temperature suggesting that activated molecules sample their physisorbed potential energy surface during photodesorption. Preadsorption of oxygen promoted partial photooxidation of adsorbed isobutene to acetone, methacrolein and isobutanal. Acetone was only detected when molecular oxygen was present, indicating that O2 addition occurred across the C=C bond. In contrast, results from use of D6-isobutene indicated that coadsorption with either O adatoms or O2 molecules led to photochemical production of methacrolein (and likely isobutanal) through C-H bond cleavage on a methyl group. Irradiation an adlayer comprised of isobutene isolated from the surface by 1 ML of preadsorbed O2 showed the most photoconversion of isobutene, which suggests that photoactivation of adsorbed O2 is a key step in partial photooxidation of isobutene. Comparison of the isobutene PSD and oxidation product yields as a function of surface temperature between 20 and 120 K indicates a competition between photooxidation and photodesorption that varies with temperature. ‘Direct’ charge transfer events between isobutene and the surface, favored at higher temperature, compete with partial oxidation pathways initiated by ‘indirect’ activation of isobutene by O2, which is favored at low temperature. Access of O2 to the surface is critical to achieving desired isobutene photooxidation rates and products, and isobutene photodesorption may provide a means of regulating the isobutene surface coverage. Work reported here was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Chemical Sciences, Geosciences, and Biosciences, and performed in the Williams R. Wiley Environmental Molecular Science Laboratory (EMSL), a Department of Energy user facility funded by the Office of Biological and Environmental Research. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for the U.S. Department of Energy by the Battelle Memorial Institute under contract DEAC05-76RL01830.

Henderson, Michael A.



Electronic Structure and Optical Properties of AFeO2 (A = Ag, Cu) within GGA Calculations  

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Electronic Structure and Optical Properties of AFeO2 (A = Ag, Cu) within GGA Calculations ... The electronic structure of delafossite type oxides AFeO2 (A = Ag, Cu) has been calculated using the full potential linearized augmented plane wave (FP-LAPW) method within the local spin density approximation (LSDA), Perdew?Burke?Ernzerhof (PBE-GGA), and Engel?Vosko (EV-GGA) generalized-gradient approximations. ... The effective Hubbard U, Ueff, has been derived on the basis of an ab initio constraint calculation and by comparison with X-ray emission spectra. ...

Khuong P. Ong; Kewu Bai; Peter Blaha; Ping Wu



Fouling and Corrosion Properties of SiO2 Coatings on Copper in Geothermal Water  

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The main goal of this work was to explore the antifouling and anticorrosion characteristics of LPD-prepared low-energy inorganic SiO2 coatings on copper substrates with nanometer-scale film thicknesses in low- and medium-temperature geothermal waters, as no open literature could be found in this area. ... SiO2 films on substrates of Si wafer, glass, gallium arsenide, and SiGe, among others, have been successfully obtained with the LPD method. ... Stathoulopoulou, A.; Demadis, K. D.Enhancement of silicate solubility by use of “green” additives: Linking green chemistry and chemical water treatment Desalination 2008, 224, 223 ...

Chen Ning; Liu Mingyan; Zhou Weidong



Oxygen Reduction Catalyzed by Au–TiO2 Nanocomposites in Alkaline Media  

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Au?TiO2 nanocomposite; oxygen reduction; alkaline media; RRDE; Tafel plot ... In another study, Kim et al.(14) prepared titanium oxide by heat treatment of titanium sheets in the temperature range of 600–1000 °C, and the best catalysts were identified as those prepared at 900 °C where ORR occurred at the potential of about +0.65 V versus RHE in 0.1 M H2SO4. ... In a typical measurement, 1 mg of the Au–TiO2 nanocomposite catalysts, 4 mg of carbon powder, and 10 ?L of Nafion were ultrasonically mixed in 1 mL of methanol. ...

Chan Lin; Yang Song; Lixin Cao; Shaowei Chen



Evidence for a wide continuum of polymorphs in a-SiO2  

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The irradiations of vitreous amorphous silica with subband-gap laser radiation at 248 nm induces reversible-irreversible compaction. The former is consistent with the creation of a wide continuum of densified amorphous silica (a-SiO2) polymorphs whilst the second stage corresponds to the ablation through laser radiation of the damaged a-SiO2. These observations are discussed in terms of conformational structure modifications (i.e., changes in the distribution of planar rings) and stable superficial defect creation.

C. Fiori and R. A. B. Devine



Attenuated degradation of a PEMFC cathode during fuel starvation by using carbon-supported IrO2  

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IrO2, a water electrolysis catalyst, has been known to be effective in preventing corrosion of the carbon support in proton exchange membrane fuel cells (PEMFCs). Particulate IrO2 can agglomerate easily, which can decrease substantially the catalytic surface area required for oxygen evolution reaction, causing the loss of catalytic efficiency. Furthermore, agglomerated IrO2 nanoparticles can have an adverse effect on the oxygen reduction reaction by covering the active surface area of the Pt/C cathode catalyst, which is a damaging factor for the intrinsic performance of PEMFC. Carbon-supported iridium oxide, IrO2/C, which can prevent the agglomeration of Ir nanoparticles more effectively, was synthesized to overcome these problems. Compared to the cell with the Pt/C cathode only, the cell with 10 wt.% IrO2 particles and Pt/C cathode showed stronger durability during fuel starvation but the cell performance at normal operation decreased severely by 35%. The cell with the same amount of IrO2 dispersed on a carbon support, 10 wt.% IrO2/C, showed similar durability during fuel starvation maintaining the cell performance comparable to the cell using a Pt/C cathode only. Carbon-supported IrO2, IrO2/C, was more effective than IrO2 particles in both maintaining the intrinsic performance and improving the cell durability during fuel starvation.

Injoon Jang; Imgon Hwang; Yongsug Tak



Formation of CO precursors during char gasification with O2, CO2 and H2O  

E-Print Network [OSTI]

Formation of CO precursors during char gasification with O2, CO2 and H2O Alejandro Montoya a are presented to get insight into an unified mechanism of uncatalyzed carbon gasification. D 2002 Elsevier Science B.V. All rights reserved. Keywords: Gasification; Chemisorption; Molecular simulation; Surface

Truong, Thanh N.

Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Ti-Peroxo Species in the TS-1/H2O2/H2O System  

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This work is devoted to the study of the active species present on the TS-1-H2O2/H2O catalytic system and to the elucidation of the mechanisms of formation and interconversion of these species. In particular new experimental data and computational ...

Francesca Bonino; Alessandro Damin; Gabriele Ricchiardi; Marco Ricci; Guido Spanò; Rino D'Aloisio; Adriano Zecchina; Carlo Lamberti; Carmelo Prestipino; Silvia Bordiga



Inorganic-modified semiconductor TiO2 nanotube arrays for photocatalysis  

E-Print Network [OSTI]

or photoelectrochemical degradation of organic pollutants, the splitting of water into H2, and solar cells holds promise for meeting the global challenge of supplying clean energy. In this context, semiconductor TiO2 stands out and depletion of fossil fuel resources have emerged as two major obstacles for the sustainable development

Lin, Zhiqun


Photocatalytic Synthesis of TiO2 and Reduced Graphene Oxide Nanocomposite for Lithium Ion Battery  

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In this work, we synthesized graphene oxide (GO) using the improved Hummers’ oxidation method. TiO2 nanoparticles can be anchored on the GO sheets via the abundant oxygen-containing functional groups such as epoxy, hydroxyl, carbonyl, and carboxyl groups ...

Jingxia Qiu; Peng Zhang; Min Ling; Sheng Li; Porun Liu; Huijun Zhao; Shanqing Zhang



Solar Energy Materials & Solar Cells 71 (2002) 261271 Photoelectric behavior of nanocrystalline TiO2  

E-Print Network [OSTI]

Solar Energy Materials & Solar Cells 71 (2002) 261­271 Photoelectric behavior of nanocrystalline Ti 100101, People's Republic of China e Synchrotron Radiation Laboratory at Institute of High Energy Physics. A sandwich-type solar cell fabricated by this dye-sensitized nanocrystalline TiO2 film generated 6:1 mA cm�2

Huang, Yanyi


Oxygen-18 of O2 Records the Impact of Abrupt Climate Change on the Terrestrial Biosphere  

Science Journals Connector (OSTI)

...not preserve reliable atmospheric methane records...continuing to produce deep water. The implication of...O and 18 O/ 16 O of atmospheric O 2 (abstr.)., Proceedings...g., from humid, water-saturated biomes...Education Foundation, and recovery of the Siple Dome...

Jeffrey P. Severinghaus; Ross Beaudette; Melissa A. Headly; Kendrick Taylor; Edward J. Brook



Optical Properties of ZrO2–Containing Anodic Coatings on Aluminum  

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Anodic oxide coatings (AOC) formed at the potentials of spark breakdowns...2ZrF6) contain up to 36 wt.% of Zr. The modification of ZrO2 in AOC is tetragonal. The reflection coefficients of AOC have been measured ...

P. M. Nedozorov; K. N. Kilin; T. P. Yarovaya…



Ambient pressure thermal desorption spectroscopy (AP-TDS) of NiO/SiO2 catalysts  

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The Sabatier reaction is a key process in the “power-to-gas” application which is considered to contribute to...2 (NiO/SiO2) which is commonly used in the Sabatier reaction. A novel technique for the characteriza...

M. Städter; K. Müller; F. Rachow; M. Richter; D. Schmeißer



Formation and characterization of TiO2/CNT nanomaterials dried under supergravity conditions  

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The elaboration of bilayer TiO2/CNT films dried under terrestrial gravity conditions (g) and on a centrifuge with 1.3g and 7g is reported. The changes in microstructure and thickness of these coatings under supergravity environment ...

Minerva Vargas; Marina E. Rincón; Eduardo Ramos



The evolution of respiratory O2/NO reductases: an out-of-the-phylogenetic-box perspective  

Science Journals Connector (OSTI)

...Through the solubility coefficient...The crucial gas sensor proteins...then of the nitrogen oxides...standing water body due...the case of gases) substrates...either O2 or nitrogen oxyanions...dissolved in water. Incidentally...Terrestrial nitrogen and noble gases in lunar...



The Stability of Organic Solvents and Carbon Electrode in Nonaqueous Li-O2 Batteries  

SciTech Connect (OSTI)

The effect of different kinds of aprotic organic solvents on the discharge performance and discharge products in Li-O2 batteries was systematically investigated. The discharge products deposited in air cathodes were analyzed by X-ray diffraction, in situ gas chromatography/mass spectroscopy and X-ray photoelectron spectroscopy. We found that a significant amount of Li2O2 can be formed in glyme-based electrolytes during the discharge process, while only small amount of Li2O2 is produced in electrolytes of phosphate, nitrile, ionic liquid and sulfoxide. However, in all the seven types of solvent systems we studied, Li2CO3 and LiF were still formed as byproducts whose compositions are strongly related to the solvents. Li2CO3 is produced not from the carbon air electrode but from oxidation and decomposition of the solvent as we verified by using a 13C-labeled carbon electrode and the solid-state 13C-MAS NMR technique. The formation of Li2CO3 and LiF during discharge will greatly reduce the Coulombic efficiency and cycle life of the Li-air batteries. Therefore, better electrolytes that can ensure the formation of Li2O2 but minimize other reaction products formed on air electrodes of Li-air batteries need to be further investigated.

Xu, Wu; Hu, Jian Z.; Engelhard, Mark H.; Towne, Silas A.; Hardy, John S.; Xiao, Jie; Feng, Ju; Hu, Mary Y.; Zhang, Jian; Ding, Fei; Gross, Mark E.; Zhang, Jiguang



On really stoichiometric LiCoO2 M. Mntrier1  

E-Print Network [OSTI]

recalled above (with LS Co4+ ions). We had also concluded some time ago that excess Li in lithium cobalt long thermal treatment for complete elimination of excess Li. Such highly stoichiometric Li1CoO2 criterion for the characterization of Li-stoichiometry in lithium cobalt oxide. Hertz et al (7) also state

Paris-Sud XI, Université de


Short communication Effect of vanadium redox species on photoelectrochemical behavior of TiO2  

E-Print Network [OSTI]

. Alternative and sustainable energy sources such as solar, wind, tidal power, geothermal, hydroelectricity implementation is hydrogen handling. Although molecular hydrogen has very high energy density on a mass basis and TiO2/WO3 photo-electrodes Dong Liu a , Fuqiang Liu a,*, Jianguo Liu b a Electrochemical Energy Lab

Liu, Fuqiang


Investigation of the Rechargeability of Li-O2 Batteries in Non-aqueous Electrolyte  

SciTech Connect (OSTI)

In order to understand the nature of the limited cycle life and poor energy efficiency associated with the secondary Li-O¬2 batteries the discharge products of primary Li-O2 cells at different depth of discharge (DOD) are systematically analyzed in this work. It is revealed that if discharged to 2.0 V a small amount of Li2O2 coexist with Li2CO3 and RO-(C=O)-OLi) in alkyl carbonate-based electrolyte. Further discharging the air electrodes to below 2.0 V the amount of Li2CO3 and LiRCO3 increases significantly due to the severe electrolyte decomposition. There is no Li2O detected in this alkyl carbonate electrolyte regardless of DOD. It is also found that the alkyl carbonate based electrolyte begins to decompose at 4.0 V during charging under the combined influences from the high surface area carbon, the nickel metal current collector and the oxygen atmosphere. Accordingly the impedance of the Li-O2 cell continues to increase after each discharge and recharge process indicating a repeated plating of insoluble lithium salts on the carbon surface. Therefore the whole carbon electrode becomes completely insulated only after a few cycles and loses the function of providing active tri-phase regions for the Li-oxygen batteries.

Xiao, Jie; Hu, Jian Z.; Wang, Deyu; Hu, Dehong; Xu, Wu; Graff, Gordon L.; Nie, Zimin; Liu, Jun; Zhang, Jiguang



SiO2 Nanoparticle Sequestration via Reactive Functionalization in Holographic Polymer-Dispersed  

E-Print Network [OSTI]

SiO2 Nanoparticle Sequestration via Reactive Functionalization in Holographic Polymer addition of nanoparticles. Nanoparticles of many materials can be synthesized in sizes small enough are available to control the chemical interaction of the nanoparticles with the HPDLC system. Previous research

Braun, Paul


The influence of surface conductivity on the apparent zeta potential of TiO2 nanoparticles  

E-Print Network [OSTI]

Titanium dioxide is widely used as TiO2 nanoparticles and has a large variety of potential applications in of these properties, the surface ionization of titanium dioxide nanoparticles in contact with an electrolytic solution is a physico-chemical parameter of particular importance to describe ion adsorption and electrostatic

Paris-Sud XI, Université de


Photocatalytic Degradation of VOC's by TOTO's Hydrotect (TiO2 Impregnated) Surfaces  

E-Print Network [OSTI]

, naturally occurs in wood and volcanic gases. Decaying organic matter can also produce methanol. Paint. This report describes the photocatalytic degradation of formaldehyde and methanol, two common VOC's, by TiO2 and methanol tests (Land et al., 2008). A standardized aqueous solution of formaldehyde and methanol was used

Bergin, Mike


Absorption Spectra Related to Heterogeneous Electron Transfer Reactions: The Perylene TiO2 System  

E-Print Network [OSTI]

Absorption Spectra Related to Heterogeneous Electron Transfer Reactions: The Perylene TiO2 System Form: March 16, 2005 Linear absorption spectra of dye-semiconductor systems (perylene attached displaying line broadenings follow the qualitative trend obtained from transient absorption spectra. I

Röder, Beate



E-Print Network [OSTI]

are requested in several fields such as applications [1], fuel cell [2], radioactive waste storage and diverse selectivity of a sensor includes the addition of a catalyst to the tin oxide powder. In the case of hydrogen1 SELECTIVE FILTER FOR SnO2 BASED GAS SENSOR : APPLICATION TO HYDROGEN TRACE DETECTION G

Paris-Sud XI, Université de


O2 reduction at the IFC orbiter fuel cell O sub 2 electrode  

SciTech Connect (OSTI)

O2 reduction Tafel data were obtained for the IFC Orbiter fuel cell O2 electrode (Au-10 percent Pt catalyst) at temperatures between 24 and 81 C. BET measurements gave an electrode surface area of about 2040 sq cm per sq cm of geometric area. The Tafel data could be fitted to three straight line regions. For current densities less than 0.001 A/sq cm, the slope was essentially independent of temperature with a value of about 0.032 V/decade. Above 0.001 A/sq cm, the two regions, designated in the present study as the 0.04 and 0.12 V/decate regions, were temperature dependent. The apparent energies of activation for these two regions were about 9.3 and 6.5 kcal/mol, respectively. Tafel data (1 atmosphere O2) were extrapolated to 120 C for predicting changes in overpotential with increasing temperature. A mechanism is presented for O2 reduction.

Fielder, W.L.; Singer, J.



Acid-Based Synthesis of Monodisperse Rare-Earth-Doped Colloidal SiO2 Spheres  

E-Print Network [OSTI]

display narrow-line intra-4f transi- tions that are first order independent of the local environment method to dope SiO2 particles with RE ions via an acid-based wet chemical synthesis route by adding of the particles are studied using scanning electron microscopy (SEM), transmission electron microscopy (TEM

Polman, Albert

Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Hybrid Carbon Nanotubes-TiO2 Photoanodes for High Efficiency Dye-Sensitized Solar Cells  

E-Print Network [OSTI]

Hybrid Carbon Nanotubes-TiO2 Photoanodes for High Efficiency Dye-Sensitized Solar Cells Kadiatou-Boulet, Varennes, Quebec J3X 1S2, Canada Department of Chemical Sciences and Technology & NAST Center, University, 25133 Brescia, Italy Solar Cells Laboratory, Institute of Materials Science and Technology (IMRE


Gram-Scale Synthesis of Graphene-Mesoporous SnO2 Composite as Anode for Lithium-ion Batteries  

Science Journals Connector (OSTI)

Abstract The gram-scale synthesis of graphene based mesoporous SnO2 composite (G-M-SnO2) has been successfully realized based on kirkendall effect. When used as anode for lithium ion batteries, it delivers a high reversible capacity of 1354 mAhg?1 after 50 cycles at 100 mAg?1 and excellent rate capability of 664 mAhg?1 at 2 Ag?1. The outstanding lithium storage performance mainly results from the synergistic effect of the ultrasmall SnO2 and conductive graphene nanoparticles, which not only enhanced the conductivity of the whole electrode but also provide buffer matrix for the expansion of SnO2 nanoparticles during charge-discharge process. Furthermore, the ultra-small size of SnO2 shortens the diffusion length of Li+/e? in SnO2.

Xiaowu Liu; Xiongwu Zhong; Zhenzhong Yang; Fusen Pan; Lin Gu; Yan Yu



Photostable Self-Cleaning Cotton by a Copper(II) Porphyrin/TiO2 Visible-Light Photocatalytic System  

Science Journals Connector (OSTI)

Anatase TiO2-based self-cleaning textiles such as cotton, wool and polyester that show efficient photocatalytic properties under UV light have been developed. ... The TiO2 sol was applied to scoured cotton fabric through a dip-pad-dry-cure process. ... The importance of the binding states between the dye and TiO2 surface was discussed by comparison of the energy conversion efficiency in a dye-sensitized solar cell. ...

Shabana Afzal; Walid A. Daoud; Steven J. Langford



Cr, N-Codoped TiO2 Mesoporous Microspheres for Li-ion Rechargeable Batteries with Enhanced Electrochemical Performance  

SciTech Connect (OSTI)

Cr,N-codoped TiO2 mesoporous microspheres synthesized using hydrothermal and subsequent nitridation treatment, exhibited higher solubility of nitrogen, and improved electrical conductivity than N-doped TiO2, as anode for Lithium-ion rechargeable batteries, which led to improving charge-discharge capacity at 0.1 C and twice higher rate capability compared to that of nitrogen-doped TiO2 mesoporous microsphere at 10 C

Bi, Zhonghe [ORNL] [ORNL; Paranthaman, Mariappan Parans [ORNL] [ORNL; Guo, Bingkun [ORNL] [ORNL; Unocic, Raymond R [ORNL] [ORNL; Meyer III, Harry M [ORNL] [ORNL; Bridges, Craig A [ORNL] [ORNL; Sun, Xiao-Guang [ORNL] [ORNL; Dai, Sheng [ORNL] [ORNL



Dynamic compression of SiO2: A new interpretation Joseph A. Akins and Thomas J. Ahrens  

E-Print Network [OSTI]

2002. [1] In light of recent discoveries of post-stishovite phases of SiO2, with the CaCl2 and a-PbO2 that transition occurs to stishovite, then the CaCl2 structure and finally to melt. INDEX TERMS: 8147 Evolution transforms to the CaCl2 (ro = 4.291 g/cm3 ) and a-PbO2 (ro = 4.334 g/cm3 ) structures, slightly more dense

Stewart, Sarah T.


Surface crystallization of akermanite in a MgO?CaO?SiO2?P2O5 glass  

Science Journals Connector (OSTI)

The surface crystallization of akermanite (2CaO·MgO·2SiO2) in a MgO?CaO?SiO2?P2O5 glass was investigated by X- diffraction and scanning electron microscopy. An anomalous texture behavior of akermanite on the sample surface was observed. This phenomenon was attributed to the rapid crystallization of apatite (Ca10P6O25) on the sample surface.

Jiin-Jyh Shyu; Jenn-Ming Wu



Combined Investigation of Water Sorption on TiO2 Rutile (110) Single Crystal Face: XPS vs. Periodic DFT  

E-Print Network [OSTI]

1 Combined Investigation of Water Sorption on TiO2 Rutile (110) Single Crystal Face: XPS vs(0)169157150; e-mail: roques@ipno.in2p3.fr Keywords: water, sorption, rutile TiO2, (110), XPS, DFT. Abstract XPS and periodic DFT calculations have been used to investigate water sorption on the TiO2 rutile (110) face. Two

Paris-Sud XI, Université de


Effect of nickel loading on the activity of Ni/ZrO2 for methane steam reforming at low temperature  

Science Journals Connector (OSTI)

The effect of Ni loading on the catalytic activity of Ni/ZrO2 catalyst for methane steam reforming was investigated. The sample containing 15 wt...

Long Q. Nguyen; Leonila C. Abella…



The Complex Core Level Spectra of CeO2: An Analysis in Terms of Atomic and Charge Transfer Effects  

SciTech Connect (OSTI)

We present a rigorous parameter-free theoretical treatment of the Ce 4s and 5s photoelectron spectra of CeO2. In the currently accepted model the satellite structure in the photoelectron spectra is explained in terms of a mixed valence (Ce 4f0 O 2p6, Ce 4f1 O 2p5, and Ce 4f2 O 2p4) con?guration. We show that charge transfer (CT) into Ce 5d as well as con?gurations involving intra-atomic movement of charge must be considered in addition and compute their contributions to the spectra.

Bagus, Paul S.; Nelin, Constance J.; Ilton, Eugene S.; Baron, Martin; Abbott, Heather; Primorac, Elena; Kuhlenbeck, Helmut; Shaikhutdinov, Shamil; Freund, Hans-Joachim



Compact Electrochemical Bi-functional NOx/O2 Sensors with an Internal Reference for High Temperature Applications  

Broader source: Energy.gov [DOE]

A inexpensive compact O2 sensor has been developed using internal reference gas that is stable for months, has no complex electronics, and is amenable to mass production


Aggregated TiO2 Based Nanotubes for Dye Sensitized Solar Cells  

SciTech Connect (OSTI)

One-dimensional (1D) semiconducting oxides have attracted great attention for dye sensitized solar cells (DSCs), but the overall performance is still quite limited as compared to TiO2 nanocrystalline DSCs. Here, we report the synthesis of aggregated TiO2 based nanotubes with controlled morphologies and crystalline structures to obtain an overall power conversion efficiency of 9.9% using conventional dye without any additional chemical treatment steps. The high efficiency is attributed to the unique aggregate structure for light harvesting, optimized high surface area, and good crystallinity of the nanotube aggregates obtained through proper thermal annealing. This study demonstrates that high efficiency DSCs can be obtained with 1D nanomaterials, and provides lessons on the importance of optimizing both the nanocrystalline structure and the overall microscale morphology.

Nie, Zimin; Zhou, Xiaoyuan; Zhang, Qifeng; Cao, Guozhong; Liu, Jun



Photocatalysts of Cr Doped TiO2 Film Prepared by Micro Arc Oxidation  

Science Journals Connector (OSTI)

A series of Cr doped TiO2 films were prepared by micro arc oxidation (MAO) using an electrolyte of Na 3PO4+K2Cr2O7. X-ray diffraction and scanning electron microscopy revealed that the films mainly consisted of anatase phase with a porous surface morphology. The films have an excellent photocatalytic effect for degradation of methylene blue and decomposition of water under visible light illumination. This arises from the formation of Cr3+/Cr4+ and oxygen vacancy energy levels owing to Cr doping. The former reduces the electron-hole recombination chance while the latter generates a new gap between the conduction band (CB) and valence band (VB) of TiO2 which lowers the photo energy of the excited electron in the VB to the oxygen vacancy states. The mechanisms for film synthesis during the MAO process are also presented.

Li Wan; Jian-feng Li; Jia-you Feng; Wei Sun; Zong-qiang Mao



Chemisorption of fluorocarbon free radicals on silicon and SiO2  

Science Journals Connector (OSTI)

We have investigated the interaction of CF3 free radicals produced by infrared multiple?photon dissociation of C2F6 with Si(100) and SiO2 surfaces. The CF3 radicals initially undergo dissociativechemisorption on the Si surface to produce surface carbides and fluorosilyl species. At higher coverages the fluorine transfer reaction is inhibited. Significantly smaller amounts of the CF3 radical chemisorb on the oxide surfaces and those that do adsorb do not dissociate. Sputtering the oxide surface by argon ion bombardment increases the amount of radicals that can be adsorbed. Ion bombardment of the fluorocarbon overlayer on both surfaces results primarily in removal of the CF3 groups. The radical reactions cannot by themselves account for SiO2/Si selectivity in plasma reactive etching but do appear to play an important role in anisotropic etching.

S. Joyce; J. G. Langan; J. I. Steinfeld



New CoO?SiO2-Sol Pillared Clays as Catalysts for NOx Conversion  

Science Journals Connector (OSTI)

For this purpose, codoped SiO2 sol PILC (CoSi?PILC) is prepared via an organic template route and the interlayer pillar structure is systematically investigated by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and nitrogen adsorption isotherm measurement, along with a preliminary test on the de-NOx catalytic activity. ... The steady-state selective catalytic reduction of NO with CO over CoSi?PILC catalyst was carried out in an isothermal fixed-bed continuous flow quartz reactor (o.d. ... The elemental composition of CoSi?PILC was analyzed to estimate the pillar content of SiO2 and CoO. ...

Jin-Ho Choy; Hyun Jung; Yang-Su Han; Joo-Byoung Yoon; Yong-Gun Shul; Hyun-Jong Kim



The role of CeO2–ZrO2 distribution on the Ni/MgAl2O4 catalyst during the combined steam and CO2 reforming of methane  

Science Journals Connector (OSTI)

The effect of the distribution of CeO2–ZrO2 on Ni/MgAl2O4 catalyst on the catalytic performance during the combined steam and carbon dioxide reforming of CH4 (CSCR) was investigated on two different catalysts pre...

Jong Wook Bae; A Rong Kim; Seung-Chan Baek…



Active Oxygen on Au/TiO2 Catalysts DOI: 10.1002/anie.201102062 Active oxygen on a Au/TiO2 catalyst Formation, stability and CO  

E-Print Network [OSTI]

1 Active Oxygen on Au/TiO2 Catalysts DOI: 10.1002/anie.201102062 Active oxygen on a Au/TiO2 are the activation of molecular oxygen, the active site for this reaction step, and the nature of the catalytically active oxygen species present under working conditions.[3;9-15] Stiehl et al. had shown that molecularly

Pfeifer, Holger


Reversed spin polarization at the Co(001)-HfO2(001) interface  

Science Journals Connector (OSTI)

Ab initio electronic-structure calculations on the Co(001)-HfO2(001) interface are reported. The spin polarization of conduction electrons is positive at the interface, i.e., it is reversed with respect to the spin polarization in bulk Co. The electronic structure is very sensitive to the interface structure; without atomic relaxations the reversed spin polarization is not found. The possible relation with spin-polarized tunneling and magnetoresistance is discussed.

P. K. de Boer; G. A. de Wijs; R. A. de Groot



Sacrificial Hydrogen Generation from Formaldehyde with Pt/TiO2 Photocatalyst in Solar Radiation  

Science Journals Connector (OSTI)

Sacrificial Hydrogen Generation from Formaldehyde with Pt/TiO2 Photocatalyst in Solar Radiation ... Department of Chemical and Biochemical Engineering, University of Western Ontario, London, Ontario N6A 5B9, Canada ... The simulated solar light was generated using solar simulator (model: SS1KW, Sciencetech, ON, Canada with a 1000-W Xe arc lamp and an AM 1.5 G filter). ...

Pankaj Chowdhury; Ghodsieh Malekshoar; Madhumita B. Ray; Jesse Zhu; Ajay K. Ray



Electronic structure and excitations in oxygen deficient CeO2?? from DFT calculations  

Science Journals Connector (OSTI)

The electronic structures of supercells of CeO2?? have been calculated within the density functional theory (DFT). The equilibrium properties such as lattice constants, bulk moduli, and magnetic moments are well reproduced by the generalized gradient approximation (GGA). Electronic excitations are simulated by robust total-energy calculations for constrained states with atomic core holes or valence holes. Pristine ceria CeO2 is found to be a nonmagnetic insulator with magnetism setting in as soon as oxygens are removed from the structure. In the ground state of defective ceria, the Ce-f majority band resides near the Fermi level but appears at about 2 eV below the Fermi level in photoemission spectroscopy experiments due to final-state effects. We also tested our computational method by calculating threshold energies in Ce-M5 and O-K x-ray absorption spectroscopy and comparing theoretical predictions with the corresponding measurements. Our result that f electrons reside near the Fermi level in the ground state of oxygen-deficient ceria is crucial for understanding the catalytic properties of CeO2 and related materials.

T. Jarlborg; B. Barbiellini; C. Lane; Yung Jui Wang; R. S. Markiewicz; Zhi Liu; Zahid Hussain; A. Bansil



Atomistic Studies of Cation Transport in Tetragonal ZrO2 During Zirconium Corrosion  

SciTech Connect (OSTI)

Zirconium alloys are the major fuel cladding materials in current reactors. The water-side corrosion is one of the major degradation mechanisms of these alloys. During corrosion the transport of oxidizing species in zirconium dioxide (ZrO2) determines the corrosion kinetics. Previously it has been argued that the outward diffusion of cation ions is important for forming protective oxides. In this work, the migration of Zr defects in tetragonal ZrO2 is studied with temperature accelerated dynamics and molecular dynamics simulations. The results show that Zr interstitials have anisotropic diffusion and migrate preferentially along the [001] or c direction in tetragonal ZrO2. The compressive stresses can increase the Zr interstitial migration barrier significantly. The migration barriers of some defect clusters can be much lower than those of point defects. The migration of Zr interstitials at some special grain boundaries is much slower than in a bulk oxide. The implications of these atomistic simulation results in the Zr corrosion are discussed.

Xian-Ming Bai; Yongfeng Zhang; Michael R. Tonks


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Raman scattering investigation of a Ge/SiO2/Si nanocrystal system under hydrostatic pressure  

Science Journals Connector (OSTI)

We have studied the hydrostatic pressure dependence of Ge nanocrystals embedded in a SiO2 matrix on a Si substrate by Raman scattering at room temperature. During the first cycle of increasing pressure, we observed a step change in the Ge Raman mode from 310.4 to 313.8 cm-1 at ?23 kbar. The linear pressure coefficients ? obtained before and after the step change at ?23 kbar are 0.42 and 0.64 cm-1 kbar-1, respectively. Upon decreasing pressure, the Ge mode follows a single slope of pressure coefficient ?=0.64 cm-1 kbar-1. A finite-element analysis was carried out to investigate the elastic-field distribution in the Ge/SiO2/Si nanocrystal system, where the discontinuity of the specific geometric configuration with different elastic constants causes local areas of stress concentration around the interface. The step change of the Raman shifts with pressure at ?23 kbar was attributed to complete delamination between the SiO2 film and the Si substrate.

Lei Liu; K. L. Teo; Z. X. Shen; J. S. Sun; E. H. Ong; A. V. Kolobov; Y. Maeda



Predicting New TiO2 Phases with Low Band Gaps by a Multiobjective Global Optimization Approach  

E-Print Network [OSTI]

stable. This is equivalent to a global optimization problem of a biobjective function, i.e., total energyPredicting New TiO2 Phases with Low Band Gaps by a Multiobjective Global Optimization Approach Hou as a novel global optimization algorithm to predict new polymorphs of bulk TiO2 with better optical

Gong, Xingao


Preparation of Ti O 2 thin films on the inner surface of a quartz tube using atmospheric-pressure microplasma  

Science Journals Connector (OSTI)

Titanium dioxide ( Ti O 2 ) thin films were prepared on the inner surface of a quartz tube with inner and outer diameters of 1 and 3 mm respectively using plasma-enhanced chemical vapor deposition with titanium tetraisopropoxide and oxygen ( O 2 ) as reactants and helium as the carrier gas at atmospheric pressure. A microplasma was generated inside the tube by rf ( 13.56 MHz ) excitation using externally attached parallel-plate electrodes. The characteristics of the depositedfilms were examined by scanning electron microscopy x-ray photoelectron spectroscopy and x-ray diffraction. A typical as-deposited film had an amorphous structure with a smooth surface and was transparent. With increasing O 2 concentration in the plasma gas phase the depositedfilmsurface was covered with a large number of Ti O 2 nanoparticles. However the depositedfilms were a mixture of Ti O 2 and amorphous carbon and showed rough surface in the absence of O 2 in the source gas. The effects of the O 2 concentration in the plasma gas on the characteristics of the deposited Ti O 2 films are discussed on the basis of the analysis of the gas species generated in the plasma using optical emission spectroscopy.

Hiroyuki Yoshiki; Taku Saito



Improved Lithium Ion Behavior Properties of TiO2@Graphitic-like Carbon Core@Shell Nanostructure  

E-Print Network [OSTI]

Improved Lithium Ion Behavior Properties of TiO2@Graphitic-like Carbon Core@Shell Nanostructure Min Intercalation Electrochemistry Capacitance Lithium Ion batteries A B S T R A C T We demonstrate TiO2@graphitic on the electrode surface and enhanced lithium ion intercalation, leading to lower charge transfer resistance

Cao, Guozhong


Off-normal CO2 desorption from the photooxidation of CO on reduced TiO2(110)  

SciTech Connect (OSTI)

Photo-induced reactions between O2 and CO on reduced rutile TiO2(110) are studied at low temperature (~30K). Photon stimulated desorption (PSD) of O2, CO2 and CO are observed with comparable yields. Isotope labeling experiments indicate that O2 chemisorbed in a vacancy is more active for photooxidation than O2 chemisorbed on a Ti5c site. The angular distribution for the desorbing CO2 is peaked at ~40º with respect to the surface normal in the azimuth (i.e. perpendicular to the bridging oxygen rows) suggesting that CO2 is produced from O2 occupying an oxygen vacancy and CO adsorbed on a Ti5c site next to it. The experimental results are consistent with CO2 being produced from a transition state complex that has been predicted theoretically. The CO PSD from TiO2(110) is enhanced dramatically by the presence of chemisorbed O2 suggesting that it is a by-product of the CO photooxidation process.

Petrik, Nikolay G.; Kimmel, Gregory A.



Deposition of TiO2 thin films by atmospheric plasma post-discharge assisted injection MOCVD  

E-Print Network [OSTI]

Deposition of TiO2 thin films by atmospheric plasma post-discharge assisted injection MOCVD C Keywords : Injection MOCVD, Atmospheric Plasma, titanium oxide, anatase, PECVD Abstract TiO2 thin films combines remote Atmospheric Pressure (AP) Plasma with Pulsed Injection Metallorganic Chemical Vapour

Boyer, Edmond


Thermodynamic and Kinetic Study of the Carbothermal Reduction of SnO2 for Solar Thermochemical Fuel Generation  

Science Journals Connector (OSTI)

Thermodynamic and Kinetic Study of the Carbothermal Reduction of SnO2 for Solar Thermochemical Fuel Generation ... Fossil fuel depletion and the environmental impact of their generalized use on the climate stability are major issues for the upcoming century. ... The carboredn. in SnO2 to produce Sn and its hydrolysis with steam to generate hydrogen were studied. ...

Gaël Levêque; Stéphane Abanades



Size-Dependent Oxygen Activation Efficiency over Pdn/TiO2(110) for the CO Oxidation Reaction  

Science Journals Connector (OSTI)

The dissociative binding efficiency of oxygen over Pdn/TiO2(110) (n = 4, 7, 10, 20) has been measured using temperature programmed reaction (TPR) mass spectrometry and X-ray photoemission spectroscopy (XPS) following exposure to O2 with varying doses and ...

William E. Kaden; William A. Kunkel; Matt D. Kane; F. Sloan Roberts; Scott L. Anderson



SnO2-CuO/graphene nanocomposites for high performance Li-ion battery anodes  

Science Journals Connector (OSTI)

The nanocomposites of SnO2-CuO/graphene are synthesized via a two-step method. ... CuO nanorods are firstly uniformly loaded on the graphene nanosheets, and then SnO2 nanoparticles are coated on CuO nanorods. SnO

Jun Zhao; WanFei Shan; XinBei Xia; Qi Wang…



Flower-like SnO2 nanoparticles grown on graphene as anode materials for lithium-ion batteries  

Science Journals Connector (OSTI)

Tin oxide (SnO2)/graphene composite was synthesized from SnCl2?·?2H2O and graphene oxide (GO) by a wet chemical-hydrothermal route. The GO was reduced to graphene nanosheet (GNS) and flower-like SnO2 nano-crystal...

Qi Guo; Xue Qin



Highly-Selective and Reversible O2 Binding in Cr3(1,3,5-benzenetricarboxylate)2  

E-Print Network [OSTI]

emissions from fossil fuel-fired power plants.3 Here, instead of separating CO2 from N2 include the greater partial pressure of O2 in air (0.21 bar) compared to CO2 in a typical flue gas (0 may form the basis for a new generation of O2 capture materials with good air permeability, a high



E-Print Network [OSTI]

O2 /O3 MICROATMOSPHERES IN THE SURFACE OF GANYMEDE R. E. JOHNSON AND W. A. JESSER Engineering with the surfaces of the icy satellites (Johnson 1990). A manifestation of this interaction is the sputtered O2 atmosphere at Europa, pre- dicted in 1982 based on laboratory data (Johnson, Lanzerotti, & Brown 1982

Johnson, Robert E.


Adsorption of water and ammonia on TiO2-anatase cluster models Isik Onal a,*, Sezen Soyer a  

E-Print Network [OSTI]

to the surface properties and the adsorption reactions of titanium dioxide-anatase surface. Lin and Bai [3 reserved. Keywords: TiO2; Anatase; Adsorption; Water; Ammonia; DFT 1. Introduction Titanium oxides are usedAdsorption of water and ammonia on TiO2-anatase cluster models Isik Onal a,*, Sezen Soyer a , Selim

Senkan, Selim M.


Geometric and Electronic Properties of Sn-Doped TiO2 from First-Principles Calculations  

Science Journals Connector (OSTI)

Geometric and Electronic Properties of Sn-Doped TiO2 from First-Principles Calculations ... Finer k-point sets 3 × 3 × 4 and 3 × 5 × 4 were employed for calculating the electronic properties of doped rutile TiO2. ... This viewpoint is confirmed by the subsequent calculated formation energy. ...

Run Long; Ying Dai; Baibiao Huang



Journal of Power Sources 165 (2007) 509516 Direct NaBH4/H2O2 fuel cells  

E-Print Network [OSTI]

Published by Elsevier B.V. Keywords: Fuel cell; Hydrogen peroxide; Regenerative fuel cell; Sodium) /hydrogen per- oxide (H2O2) fuel cell (FC) is under development jointly by the University of IllinoisJournal of Power Sources 165 (2007) 509­516 Direct NaBH4/H2O2 fuel cells George H. Mileya,e,, Nie

Carroll, David L.


Anchoring Sites for Initial Au Nucleation on CeO2{111}: O Vacancy versus Ce Vacancy Changjun Zhang,  

E-Print Network [OSTI]

Anchoring Sites for Initial Au Nucleation on CeO2{111}: O Vacancy versus Ce Vacancy Changjun Zhang is a matter of debate. Both oxygen and cerium vacancies have been suggested as the anchoring sites initio thermodynamics approaches to investigate the formation of various vacancies at a CeO2{111} surface

Alavi, Ali


Enhanced ethanol sensing properties of TiO2/ZnO core–shell nanorod sensors  

Science Journals Connector (OSTI)

TiO2-core/ZnO-shell nanorods were synthesized using a two-step process: the synthesis of TiO2 nanorods using a hydrothermal method followed by atomic layer deposition of ZnO. The mean diameter and length of the n...

Sunghoon Park; Soyeon An; Hyunsung Ko; Sangmin Lee; Hyoun Woo Kim…



Performance improvement of TiO2 supported on adsorbents for photocatalytic degradation of MEK in air  

Science Journals Connector (OSTI)

Photocatalytic degradation of Methyl Ethyl Ketone (MEK) was carried out in gas phase using TiO2 supported on different adsorbents. Based on size and surface area, three different adsorbents, montmorillonite, ?-zeolite and MCM-41 were tested. A fluidised bed annular photoreactor fitted with either 254 or 365 nm lamps was used for the photodegradation studies. The removal rates of MEK were higher for the catalysts supported on the adsorbent as compared to bare TiO2 (Degussa P25 and sol-gel TiO2) due to both improved adsorption and photocatalytic degradation. The photocatalytic activity of the supported TiO2 was maximum around 50 wt.% loading of TiO2. Among all the adsorbents tested, montmorillonite showed better removal rate than MCM-41 and ?-zeolite. Some limited experiments were conducted with Trichloroethylene (TCE) to evaluate the effect of polarity of the organic compound on overall degradation using the supported catalysts.

Pavan Kumar Puttamraju; Madhumita B. Ray



High Density n-Si/n-TiO2 Core/Shell Nanowire Arrays with Enhanced Photoactivity  

SciTech Connect (OSTI)

There are currently great needs to develop low-cost inorganic materials that can efficiently perform solar water splitting as photoelectrolysis of water into hydrogen and oxygen has significant potential to provide clean energy. We investigate the Si/TiO2 nanowire heterostructures to determine their potential for the photooxidation of water. We observed that highly dense Si/TiO2 core/shell nanowire arrays enhanced the photocurrent by 2.5 times compared to planar Si/TiO2 structure due to their low reflectance and high surface area. We also showed that n-Si/n-TiO2 nanowire arrays exhibited a larger photocurrent and open circuit voltage than p-Si/n-TiO2 nanowires due to a barrier at the heterojunction.

Hwang, Yun Jeong; Boukai, Akram; Yang, Peidong



DFT+U Study of CeO2 and Its Native Defects  

E-Print Network [OSTI]

in solid state fuel cells2, as a catalyst3-6, as a high-dielectric constant gate oxide7, and in resistance random access memories (ReRAM)8. Many properties of CeO2 are determined by its intrinsic defects9-23 and the unusual behavior of the semi-core Ce 4f... averaging scheme46 for spin- orbital coupling effect. The RRKJ method is chosen as optimization of pseudopotentials47. The PBE functional was chosen for PBE+U calculations with a kinetic cutoff energy of 750eV, which expands the valence electrons states...

Huang, Bolong; Gillen, Roland; Robertson, John


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Relationships between Fe redistribution and Po2 during mineral dissolution under low O2 conditions  

Science Journals Connector (OSTI)

Iron-bearing olivine was dissolved at different partial pressures of atmospheric oxygen (Po2) in a glove box to clarify the relationships between Fe redistribution and Po2 during mineral dissolution and to provide a deeper understanding of weathering under low oxygen conditions. The olivine was first dissolved at pH 4.5–6.0 and 15–55 °C under the ambient air using a modified flow-through system. Some portion of Fe2+ released from olivine was oxidized and precipitated as Fe3+ oxides/hydroxides, and remained in the system, while the other portion flowed out of the system as Fe2+. Then, a kinetic model, considering mineral dissolution, water flow and Fe2+ oxidation rates, was made to estimate Fe behavior at different pHs, temperatures and dissolved O2 concentrations during dissolution. The kinetic model was applied to the experimental results under the ambient air; the validity of the model was confirmed by good agreement between the observed and calculated ? values where ? is a ratio of the amount of Fe3+ precipitated to the total amount of Fe2+ actually dissolved from olivine, an indicator of the oxidation state of a mineral dissolution system. Then, by using the kinetic model, we analyzed the results of the olivine dissolution experiments at 0.20 atm to 8.7 × 10–5 atm of Po2 and at constant pH and temperature. While the dissolution rates of olivine were not affected significantly by Po2, the olivine dissolution has indicated that ? decreases with decrease in Po2 and the ? variation at low Po2 cannot be explained by the classic rate law of Fe2+ oxidation. The calculations of ? based on the above kinetic model have revealed that the observed ? variation is well explained by the decrease in the power of [O2] (x) with decrease in [O2] for the Fe2+ oxidation rate, –d[Fe2+]/dt = k[Fe2+][O2]x[OH–]y (k: the rate constant, 0 ? x ? 1, and y ? 2); the x value decreased from 1.0 to 0.76 at 0.20 to 8.7 × 10–5 atm of Po2, respectively. The ??Po2 relationships imply that the ? value in a paleosol (fossil weathering profile) increases with increase in Po2 in the Paleoproterozoic.

Hirokazu Sugimori; Yoshiki Kanzaki; Takashi Murakami



Raman Spectroscopy of SiO2 Glass at High Pressure  

Science Journals Connector (OSTI)

A new technique has been developed for optical studies of amorphous solids to very high pressures. Raman spectra of SiO2 glass measured at 8 GPa indicate a significant reduction in the width of the Si-O-Si angle distribution, which has been associated with a number of anomalous properties of silica glass under ambient conditions. Between 8 and ? 30 GPa irreversible changes in the Raman spectrum occur that are consistent with a shift in ring statistics in densified glass. The spectra suggest a breakdown in intermediate-range order at higher pressure.

R. J. Hemley; H. K. Mao; P. M. Bell; B. O. Mysen



Modeling of durability of polyelectrolyte membrane of O2/H2 fuel cell  

E-Print Network [OSTI]

In this paper, we discuss critical aspects of the mechanisms and features of polymer proton exchange membrane (PEM) degradation in low-temperature H2/O2 fuel cell. In this paper, we focused on chemical mechanism of OH radical generation and their distribution in operational fuel cell. According to the current concept, free radicals are generated from hydrogen and oxygen crossover gases at the surface of Pt particles that precipitated in the membrane. We explicitly calculate Pt precipitation rate and electrochemical potential distribution in the membrane that controls it. Based on radical generation rate and Pt distribution we calculate degradation rate of the membrane taking advantage of simple kinetics equations.

Atrazhev, Vadim V



Nanocrystalline {001} TiO2/carbon aerogel electrode with high surface area and enhanced photoelectrocatalytic oxidation capacity  

Science Journals Connector (OSTI)

Abstract Aiming at further developing the application of the highly reactive {001} TiO2 in photoelectrocatalytic oxidation, which is limited by the powder form, micron-size and low surface area, a nanocrystalline {001} TiO2/carbon aerogel (CA) photoelectrode was fabricated via a facile hydrothermal method. Nano-sized (50 nm) anatase {001} TiO2 was successfully grown on a CA substrate. The obtained photoelectrode endowed high surface area (537 m2 g?1) and enhanced photoelectrocatalytic oxidation performance. Under UV light illumination, the largest photocurrent density is obtained on 50 nm {001} TiO2 (5.58 mA cm?2), compared to 150 nm (4.17 mA cm?2), 1 ?m (2.83 mA cm?2) {001} TiO2, indicating that an obvious enhancement in photoelectrocatalytic oxidation activity was achieved when crystalline size reached nanometer scale. A high methylene blue removal of 93% was obtained on 50 nm {001} TiO2/CA, and the rate constant reached 8.46 × 10?3 min?1, which was twice as that of P25/CA and around twenty times that of 50 nm{001} TiO2/FTO.

Ya-nan Zhang; Yefei Jin; Xiaofeng Huang; Huijie Shi; Guohua Zhao; Hongying Zhao



TiO2-assisted degradation of a perfluorinated surfactant in aqueous solutions treated by gliding arc discharge  

Science Journals Connector (OSTI)

The plasma–chemical degradation of Forafac 1110, a perfluorinated non-ionic surfactant, in aqueous solutions was investigated using TiO2 catalysts. The considered plasma was the gliding arc in humid air, which results from an electric discharge at atmospheric pressure and quasi-ambient temperature. Two titanium dioxide powders were used and their synergistic effects on the Forafac degradation were compared. The results were discussed through the evolution of the pH, the conductivity, the fluoride ions concentration released in solutions, the surfactant concentration remaining after treatment and the chemical oxygen demand (COD) measurement. The combination of the plasma–chemical treatment with heterogeneous catalysis through the use of TiO2 accelerated the Forafac degradation, since only 60 min was sufficient to remove 96% instead of 360 min needed in the absence of TiO2. The use of anatase and rutile under the trade-name of Rhodia TiO2 and Merck TiO2, respectively, led to different results, because Rhodia TiO2 has proven to be more efficient. It would seem that the crystalline phase as well as the crystallite size, explain the efficiency of anatase. The advantage of the plasma-catalysis is due to the fact that there is a significant production of the OH• radicals not only generated by the gliding arc discharge but also by TiO2.

Kheira Marouf-Khelifa; Fatiha Abdelmalek; Amine Khelifa; Ahmed Addou



Mesoporous MnO2/Carbon Aerogel Composites as Promising Electrode Materials for High-Performance Supercapacitors  

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Mesoporous MnO2/Carbon Aerogel Composites as Promising Electrode Materials for High-Performance Supercapacitors ... In this Letter, we explored a novel route to prepare mesoporous MnO2/carbon aerogel composites by electrochemical deposition assisted by gas bubbles. ... The results of nitrogen adsorption?desorption experiments and electrochemical measurements showed that these obtained mesoporous MnO2/carbon aerogel composites had a large specific surface area (120 m2/g), uniform pore-size distribution (around 5 nm), high specific capacitance (515.5 F/g), and good stability over 1000 cycles, which give these composites potential application as high-performance supercapacitor electrode materials. ...

Gao-Ren Li; Zhan-Ping Feng; Yan-Nan Ou; Dingcai Wu; Ruowen Fu; Ye-Xiang Tong



Pressure dependence of SiO 2 growth kinetics and electrical properties on SiC  

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Dry oxidations between 0.25 and 4 atm at 1150 ? ° C are used to characterize the pressure dependence of the growth kinetics of SiO 2 along three orientations of the 4H-SiC polytype. The growth curves are studied using the Deal-Grove model. The extracted linear and parabolic constants are found to scale linearly with the pressure up to 2 atm. However the data indicate that the (0001) Si-face exhibits a retarded growth rate above 2 atm. It is also found that like Si there is a critical oxide thickness below which the linear-parabolic model cannot be applied. This value is found to be between 36 and 40 nm for SiO 2 on 4H-SiC and is apparently independent of the crystal orientation and oxidation pressure. The extracted critical thickness and its properties are similar to what is observed on Si suggesting that the fast growth regime is dictated by the nature of the oxide. Finally it is shown that the density of interface states ( D i t ) on the (0001) Si-face is not reduced by faster oxide growth rates within the monitored energy window.

E. A. Ray; John Rozen; Sarit Dhar; L. C. Feldman; J. R. Williams



Passivation of paramagnetic Si?SiO2 interface states with molecular hydrogen  

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Dry thermal oxides were grown on (111) silicon substrates at 850?°C. The P b centers associated with this (111) Si?SiO2 interface were observed with electron paramagnetic resonance to be stable under subsequent annealing in vacuum up to at least 850?°C. The rate of passivation of P b centers with H2 was observed to be proportional to the concentration of H2 in the oxide and the density of P b centers. The forward reaction rate constantk f is temperature dependent and obeys the Arrhenius relationship having an activation energyE f of 1.66±0.06 eV and a pre?exponential factor k 0f of 1.94 (+2./?1.)×10?6 cm3 /s for temperatures at least between 230 and 260?°C. The linear H2 pressure dependence in the rate of passivation and the magnitude of k 0f are reasonably consistent with a model in which the H2 molecule reacts directly with P b centers during its diffusional motion among the interstices of the SiO2 network and the reaction site at P b centers.

K. L. Brower



In Situ Observation of the Electrochemical Lithiation of a Single SnO2 Nanowire Electrode  

SciTech Connect (OSTI)

We report the first real-time transmission electron microscopy (TEM) observations of the structural evolution and phase transformation of lithium-ion battery anode during the battery charging process. A nanobattery consisting of a single SnO2 nanowire anode and an ionic liquid electrolyte was successfully constructed in a TEM. We observed that during the charging process, the SnO2 crystal was converted to Li2O glass with LixSn nanocrystalline precipitates as the reaction front propagated progressively along the nanowire. After the reaction front passed, the nanowire showed swelling, elongation, and large off-axis distortion (spiraling). Upon completion of the electrochemical charging, the nanowire showed up to 120% elongation and a 30% increase in diameter with a volume expansion of about 272%. The charging front, which separates the reacted and unreacted sections of the nanowire, contains a high density of mobile dislocations, which are continuously nucleated and annihilated at the moving reaction front. This dislocation cloud indicates large in-plane misfit stresses, and serves as structural precursor to the eventual complete solid-state amorphization. The rate of charging in our nanobatteries is found to be proportional to the inverse square root of nanowire length, indicating that a standalone nanobattery or integrated arrays of nanobatteries should have kinetic advantage over conventional battery design. The present observations also provide important mechanistic insights for the design of advanced batteries with improved performance and lifetime for broad electrical energy storage applications.

Huang, J. Y.; Zhong, Li; Wang, Chong M.; Sullivan, John P.; Xu, Wu; Zhang, Li Q.; Mao, Scott; Hudak, N.; Liu, Xiao H.; Subramanian, Arun Kumar; Fan, Hongyou; Qi, Liang; Kushima, Akihiro; Li, Ju



Charge transport in TiO2/MEH-PPV polymer photovoltaics  

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We study the effect of polymer thickness, hole mobility, and morphology on the device properties of polymer-based photovoltaics consisting of MEH-PPV as the optically active layer, TiO2 as the exciton dissociation surface, and ITO and Au electrodes. We demonstrate that the conversion efficiency in these polymer-based photovoltaics is primarily limited by the short exciton diffusion length combined with a low carrier mobility. For MEH-PPV devices with optimal device geometry, we achieve quantum efficiencies of 6% at the maximum absorption of the polymer, open circuit voltages of 1.1 V, current densities of 0.4 mA/cm2 and rectification ratios greater than 105 under 100 mW/cm2 white light illumination. In addition, we achieve fill factors up to 42% at high light intensities and as high as 69% at low light intensities. We conclude by presenting a model that describes charge transport in solid-statepolymer/TiO2-based photovoltaics and suggest methods for improving energy conversion efficiencies in polymer-based photovoltaics.

A. J. Breeze; Z. Schlesinger; S. A. Carter; P. J. Brock



Photocatalytic remediation of indoor pollution by transparent TiO2 films  

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Abstract Transparent, mechanically robust TiO2 films obtained by an innovative electrochemically assisted procedure are presented as effective photocatalysts for environmental remediation and self-cleaning. The film morphology and optical properties were investigated by scanning electron microscopy (SEM), and UV–vis spectroscopy. Mechanical tests (Wolff Wilborn hardness and adhesion tests) proved the high robustness of the layer. The film thickness could be modulated by varying the number of deposited layers (from 1 to 5) without altering the film transparency. A fast light-induced superhydrophilicity is observed even under solar irradiation. The photocatalytic remediation activity of the films was tested under UV and solar irradiation towards two different systems: the gas phase degradation of volatile organic compounds, \\{VOCs\\} (ethanol and acetaldehyde) and the degradation of dry stains of long chain organic molecules (siloxanes) adsorbed at the film surface to simulate the staining by fingerprints/oily liquids. The titania layers showed excellent photocatalytic activity in both tested systems under UV and simulated solar irradiation. The photocatalyst deactivation upon repeated degradation tests was observed to be very limited. The presented stable and transparent TiO2 layers represent promising materials for photocatalytic windows and coatings.

Alice Antonello; Guido Soliveri; Daniela Meroni; Giuseppe Cappelletti; Silvia Ardizzone



Principles of water oxidation and O2-based hydrocarbon transformation by multinuclear catalytic sites  

SciTech Connect (OSTI)

Abstract The central thrust of this integrated experimental and computational research program was to obtain an atomistic-level understanding of the structural and dynamic factors underlying the design of catalysts for water oxidation and selective reductant-free O2-based transformations. The focus was on oxidatively robust polyoxometalate (POM) complexes in which a catalytic active site interacts with proximal metal centers in a synergistic manner. Thirty five publications in high-impact journals arose from this grant. I. Developing an oxidatively and hydrolytically stable and fast water oxidation catalyst (WOC), a central need in the production of green fuels using water as a reductant, has proven particularly challenging. During this grant period we have designed and investigated several carbon-free, molecular (homogenous), oxidatively and hydrolytically stable WOCs, including the Rb8K2[{Ru4O4(OH)2(H2O)4}(?-SiW10O36)2]·25H2O (1) and [Co4(H2O)2(?-PW9O34)2]10- (2). Although complex 1 is fast, oxidatively and hydrolytically stable WOC, Ru is neither abundant nor inexpensive. Therefore, development of a stable and fast carbon-free homogenous WOC, based on earth-abundant elements became our highest priority. In 2010, we reported the first such catalyst, complex 2. This complex is substantially faster than 1 and stable under homogeneous conditions. Recently, we have extended our efforts and reported a V2-analog of the complex 2, i.e. [Co4(H2O)2(?-VW9O34)2]10- (3), which shows an even greater stability and reactivity. We succeeded in: (a) immobilizing catalysts 1 and 2 on the surface of various electrodes, and (b) elucidating the mechanism of O2 formation and release from complex 1, as well as the Mn4O4L6 “cubane” cluster. We have shown that the direct O-O bond formation is the most likely pathway for O2 formation during water oxidation catalyzed by 1. II. Oxo transfer catalysts that contain two proximal and synergistically interacting redox active metal centers in the active site form another part of considerable interest of our grant because species with such sites [including methane monooxygenase (MMO) and more] are some of the most effective oxygenase catalysts known. Our team conducted the following research on ?-M2-Keggin complexes: (a) investigated stability of the trimer [{Fe3(OH)3(H2O)2}3(?-SiW10O36)3]15-, 4, in water, and developed the chemistry and catalysis of the di-iron centered POM, [?(1,2)-SiW10{Fe(OH)}2O38]6-, 5, in organic solvents (Figure 2). We also study the thermodynamic and structural stability of ?-M2-Keggin in aqueous media for different M’s (d-electron metals). We have defined two structural classes of POMs with proximally bound d-electron metal centers. We refer to these structural isomers of the {?-M2SiW10} family of POMs as “in-pocket” and “out-of pocket”. We have elucidated the factors controlling the structure and stability of the V, Fe, Ru, Tc, Mo and Rh derivatives of [(SiO4)M2(OH)2W10O32]4- using a range of computational tools. We have: (a) demonstrated that heteroatom X in these polyanions may function as an “internal switch” for defining the ground electronic states and, consequently, the reactivity of the ?-M2-Keggin POM complexes; (b) elucidated reactivity of divacant lacunary species and polyperoxotungstates (PPTs), {Xn+O4[WO(O2)2]4}n-, which could be degradation products of ?-M2-Keggin complexes in aqueous media; (c) elucidated the role of the POM ligand in stabilization of {Ru2} and {(Ru-oxo)2} fragments in the reactant and product of the reaction of {?-[(Xn+O4)Ru2(OH)2W10O32]}(8-n)- (where X = Si4+, P5+ and S6+) with O2, and (d) the mechanisms of olefin epoxidation catalyzed by these di-d-transition metal substituted and divacant lacunary ?-M2-Keggin complexes. III. Complementing the efforts presented above was the development of less time-consuming but reasonably accurate computational methods allowing one to explore more deeply large catalytic systems. We developed Reactive Force Field (ReaxFF) to study interaction of the targeted POMs with water, pro

Musaev, Djamaladdin G [Chemistry, Emory University; Hill, Craig L [Chemistry, Emory University; Morokuma, Keiji [Chemistry, Emory University



Rare earth doped TiO2-CdS and TiO2-CdS composites with improvement of photocatalytic hydrogen evolution under visible light irradiation  

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In this paper, we report the obtention of a series of rare earth doped composite Pt/RE/TiO2-CdS (RE=La3+, Eu3+, Er3+, Gd3+) and TiO2-CdS photocatalysts prepared by a simple mechanical mixed method. The photocatalysts properties were studied by means of ultraviolet-visible spectroscopy, photoluminiscence spectra, X-ray diffraction, transmission electron microscopy, specific surface areas and the electrochemistry method. Photocatalytic hydrogen evolution using Na2S/Na2SO3 as electron donor was investigated under visible-light (??420 nm) irradiation. The rare earth doping enhances the activities of Pt/RE/TiO2-CdS samples (with 1.0 wt% deposited Pt). Under optimum conditions, the activities of La3+, Eu3+, Er3+, Gd3+ doped composite Pt/RE/TiO2-CdS increase by 62.0%, 40.4%, 34.7% and 30.0% respectively, when compared to that of Pt/TiO2-CdS, due to the prevention of electron–hole recombination and the flat-band potential of the conduction of TiO2 shifting negatively by the doping.

Shaoqin Peng; Yahui Huang; Yuexiang Li



Growth of single-crystalline rutile TiO2 nanorods on fluorine-doped tin oxide glass for organicinorganic  

E-Print Network [OSTI]

, 15] and CdS [2] have been explored and studied to overcome this shortcome, and used in organicGrowth of single-crystalline rutile TiO2 nanorods on fluorine-doped tin oxide glass for organic

Cao, Guozhong


In Situ Generation of Few-Layer Graphene Coatings on SnO2-SiC...  

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In Situ Generation of Few-Layer Graphene Coatings on SnO2-SiC Core-Shell Nanoparticles for High-Performance Lithium-Ion Storage. In Situ Generation of Few-Layer Graphene Coatings...


TiO2/graphene composite from thermal reaction of graphene oxide and its photocatalytic activity in visible light  

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In this study, the P25 TiO2 nanoparticles and graphene sheets (GSs) composite were prepared from a facile thermal reaction of graphene oxide. Its microstructures and photocatalytic properties were ... nm in the a...

Yupeng Zhang; Chunxu Pan



Aging to equilibrium dynamics of SiO2 K. Vollmayr-Lee* and J. A. Roman  

E-Print Network [OSTI]

Aging to equilibrium dynamics of SiO2 K. Vollmayr-Lee* and J. A. Roman Department of Physics complete summary of pre- vious results, we refer the reader to the references 10,11 and references therein

Ligare, Martin


Preparation of narrow band gap V2O5/TiO2 composite films by micro-arc oxidation  

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V2O5/TiO2...composite films were prepared on pure titanium substrates via micro-arc oxidation (MAO) in electrolytes consisting of NaVO3. Their morphology and elements were characterized by scanning electron micro...

Qiang Luo; Xin-wei Li; Qi-zhou Cai…



TiO2-containing PVA/xylan composite films with enhanced mechanical properties, high hydrophobicity and UV shielding performance  

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The hydrophilicity/hydrophocbicity of TiO2-enchanced PVA/xylan composite films was performed with an OCA40 ... contact angle value was determined on each film surface at five different locations.

Junli Ren; Shuaiyang Wang; Cundian Gao; Xiaofeng Chen; Weiying Li; Feng Peng



Atmospheric-Pressure Cold Plasma for Preparation of High Performance Pt/TiO2 Photocatalyst and Its Mechanism  

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Atmospheric-pressure dielectric barrier discharge (DBD) cold plasma was employed to fabricate Pt/TiO2 photocatalyst using the mixture of Ar and H2 as working gas. X-ray photoelectron microscopy (XPS) and transmis...

Lanbo Di; Xiuling Zhang; Zhijian Xu; Kai Wang


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Resynthesis of LiCo1?xMnxO2 as a cathode material for lithium secondary batteries  

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A recycling process involving chemical, mechanical, and electrochemical steps has been applied to recover cobalt from spent lithium ion batteries and resynthesize cathode active materials. LiCo1?xMnxO2...powders ...

Soo-Kyung Kim; Dong-Hyo Yang; Jeong-Soo Sohn…



Graphene-encapsulated mesoporous SnO2 composites as high performance anodes for lithium-ion batteries  

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Mesoporous metal oxides such as SnO2...exhibit a superior electrochemical performance as anode materials for lithium-ion batteries due to their large surface areas and ... collapse during the charge–discharge pro...

Shuhua Jiang; Wenbo Yue; Ziqi Gao; Yu Ren; Hui Ma…



TiO2-reduced graphene oxide nanocomposite for high-rate application of lithium ion batteries  

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TiO2-reduced graphene oxide nanocomposite has been synthesized by a...2 nanoparticle homogenously dispersed onto the reduced graphene oxide sheets. The electrochemistry performance has been...?1 at the rate of 10...

Chuchun Zheng; Chunhua He; Haiyan Zhang; Wenguang Wang; Xinling Lei



SnO2-reduced graphene oxide nanoribbons as anodes for lithium ion batteries with enhanced cycling stability  

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A nanocomposite material of SnO2-reduced graphene oxide nanoribbons has been developed. In this composite, the reduced graphene oxide nanoribbons are uniformly coated by nanosized...2 that formed a thin layer of ...

Lei Li; Anton Kovalchuk; James M. Tour



In situ synthesis of SnO2 nanosheet/graphene composite as anode materials for lithium-ion batteries  

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A novel SnO2/graphene composite has been synthesized via an in...2 nanosheets are uniformly grown on graphene support. The as-prepared products were characterized ... used as an anode material for lithium ion batteries

Hongdong Liu; Jiamu Huang; Chengjie Xiang…



Band Offsets at the Epitaxial Anatase TiO2/n-SrTiO3(001) Interface...  

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to measure valence band offsets at the epitaxial anatase TiO2(002)n-SrTiO3(001) heterojunction prepared by molecular beam epitaxy, Within experimental error, the valance band...


Oxidative Degradation of BPA Using TiO2 in Water, and Transition of Estrogenic Activity in the Degradation Pathways  

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The oxidative degradation behavior of bisphenol A (BPA) using titanium dioxide (TiO2...) in water was investigated. The main purposes were to clarify the relationship with estrogenic activity from the degradation...

Kei Nomiyama; Teiji Tanizaki; Toyokazu Koga…



Fabrication and optical property of periodic Sn1-xTixO2 nanostructures patterned by the polystyrene microsphere templates  

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Regular arrays of Sn1-xTixO2 nanostructures were fabricated by glancing angle sputter deposition onto self-assembled close-packed arrays of 200 nm diameter, 500 nm diameter, and 1 µm diameter polystyrene microspheres, respectively. ...

Shutian Chen; Zhengcao Li; Zhengjun Zhang



Influence of anode area and electrode gap on the morphology of TiO2 nanotubes arrays  

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In order to fabricate the titanium dioxide (TiO2) nanotubes arrays which were used in the photocatalytic degradation of total volatile organic compounds (TVOC) by anodization, the influence of the electrode gap and anode area on the morphology ...

Min Wang; Li Jia; Shuangmei Deng



Ion engineering techniques for the preparation of the highly effective TiO2 photocatalysts operating under visible light irradiation  

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The successful application of ion engineering techniques for the development of TiO2...photocatalysts operating under visible and/or solar light irradiations has been summarized in this review article. First, we ...

Masato Takeuchi; Masaya Matsuoka; Masakazu Anpo



Electronic and optical proeprties of neon-doped rutile TiO2 from ab inito calculations  

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The electronic-structure and optical properties of neon-doped rutile TiO2 have been investigated using density functional theory with Slater type orbitals basis set and correlation. This was done using the PBE me...

Aqeel M. Ali



Line shape in the low-frequency wing of N2 and O2 broadened CO2 lines  

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The shape of the far wings of N2 and O2 broadened CO2 lines have been investigated, at room temperature, in the 2140–2250-cm?1 spectral...

Menoux, V; Le Doucen, R; Boulet, C



Diffuse neutron scattering in benzil, C14D10O2, using the time-of-flight Laue technique  

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Diffuse neutron scattering data have been recorded for the molecular crystal d-benzil, C14D10O2, using the time-of-flight Laue technique on the SXD and PRISMA instruments at ISIS.

Welberry, T.R.



Low-Temperature Desorption of N2O from NO on Rutile TiO2(110...  

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decreases rapidly as the initially clean, reduced TiO2(110) surface with 5% oxygen vacancies (VO’s) becomes covered with oxygen adatoms and unreacted NO. The maximum...


Influence of Metal (Au, Ag) Micro-Grid on the Photocatalytic Activity of TiO2 Film  

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In this paper, we prepared TiO2...thin film with the surface modified by a connected Au micro-grid via a microsphere lithography strategy, and the...2 film. The photocatalytic activity improved as Au loading incr...

Chao Cai; Junying Zhang; Feng Pan; Weiwei Zhang; Hailing Zhu…



Internal energy transfer phenomenon and light-emission properties of ?-LiAlO2 phosphor doped with Mn2+  

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?-LiAlO2:Mn2+...phosphor was synthesized using the cellulose-citric acid sol-gel method, and its light emission and energy transfer properties were investigated. Excitation and emission...2+...do...

Bai-Bin Wang; Chi-Fen Chang; Wein-Duo Yang



Salt-Bridge Transition State for the Charge Separation 2+ f CoOH(H2O)2  

E-Print Network [OSTI]

Salt-Bridge Transition State for the Charge Separation Co(H2O)4 2+ f CoOH(H2O)2 + + H3O+ Martin K centers form a Co2+ -OH- -H3O+ salt bridge, lowering the barrier for the reaction. The transition state state of the charge separation Co(H2O)4 2+ f CoOH(H2O)2 + + H3O+ is located by density functional theory

Metz, Ricardo B.


SiO2 aerogel ultra low k dielectric patterning using different hard mask concepts and stripping processes  

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The patterning of porous SiO"2 aerogel as ultra low k dielectric has been investigated. Three different concepts were examined to etch this material without damage and to finally integrate it into a copper damascene metallization. Oxygen containing etching ... Keywords: Dielectric thin films, H2/N2 strip, Integrated circuit interconnections, Low dielectric constant, Plasma etching, Porous materials, SiO2 aerogel

F. Blaschta; K. Schulze; S. E. Schulz; T. Gessner



Adsorption of L-aspartate to rutile (a-TiO2): Experimental and theoretical surface complexation studies  

E-Print Network [OSTI]

Adsorption of L-aspartate to rutile (a-TiO2): Experimental and theoretical surface complexation the adsorption of L-aspartate on the surface of rutile (a-TiO2, pHPPZC = 5.4) in NaCl(aq) over a wide range of pH, ligand-to-solid ratio and ionic strength, using potentiometric titrations and batch adsorption

Sverjensky, Dimitri A.


Rapid SiO2 Atomic Layer Deposition Using Tris(tert-pentoxy)silanol B. B. Burton,  

E-Print Network [OSTI]

temperatures and higher TPS pressures. SiO2 ALD thicknesses of 125-140 � were observed at the highest TPS requires high temperatures of >325 °C and large reactant exposure of >109 L (1 L ) 10-6 Torr s).4-7 However ALD films using liquid tris(tert-pentoxy)silanol (TPS). The SiO2 film thicknesses were determined

George, Steven M.

Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Multilayer films of indium tin oxide/TiO2 codoped with vanadium and nitrogen for efficient photocatalytic water splitting  

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TiO22 films codoped with V cations and N anions were synthesised by RF-magnetron sputtering. The incorporation of V and N in TiO2 lattice produces isolated energy levels near the conduction and valence bands, respectively, causing an effective narrowing of the band gap to 2.5 eV. Recombination of photo-charges was reduced by depositing multilayer films of indium tin oxide (ITO)/V-N-codoped TiO2 with different numbers of bilayers. In multilayer structure, the generated photoelectrons, travelling into TiO2 film of limited thickness, rapidly enter the space charge interface of the ITO/TiO2 films from where they are instantaneously injected into the ITO layer and then removed towards the cathode. The synergic effects created by band narrowing and enhanced charge separation by using codoping and multilayer structure strategy in TiO2 generate higher photocurrent for water splitting under visible light which definitely exceeds that obtained by doping TiO2 with a single, V or N, element.

Z. El Koura; N. Patel; R. Edla; A. Miotello



SiO2 Fracture: Chemomechanics with a Machine-Learning Hybrid QM/MM Scheme |  

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

Snapshot from a simulation of subcritical stress corrosion cracking in Snapshot from a simulation of subcritical stress corrosion cracking in silica in a wet environment, of the kind that will be carried out at the quantum mechanical level during this INCITE project. Silicon atoms are shown in grey, oxygen in red and hydrogen in white. The nanoscale mechanisms underlying stress corrosion cracking remain unclear and can only be elucidated with these kinds of non-uniform precision simulations, which will allow quantitative comparison with experiments for the first time. James Kermode, King's College London SiO2 Fracture: Chemomechanics with a Machine-Learning Hybrid QM/MM Scheme PI Name: James Kermode PI Email: King's College London Institution: james.kermode@kcl.ac.uk Allocation Program: INCITE Allocation Hours at ALCF: 125 Million


Acetone-Assisted Oxygen Vacancy Diffusion on TiO2(110)  

SciTech Connect (OSTI)

We have studied the dynamic relationship between acetone and bridge-bonded oxygen (Ob) vacancy (VO) defect sites on the TiO2(110)-1 × 1 surface using scanning tunneling microscopy (STM) and density function theory (DFT) calculations. We report an adsorbate-assisted VO diffusion mechanism. The STM images taken at 300 K show that acetone preferably adsorbs on the VO site and is mobile. The sequential isothermal STM images directly show that the mobile acetone effectively migrates the position of VO by a combination of two acetone diffusion channels: one is the diffusion along the Ob row and moving as an alkyl group, which heals the initial VO; another is the diffusion from the Ob row to the fivecoordinated Ti4+ row and then moving along the Ti4+ row as an acetone, which leaves a VO behind. The calculated acetone diffusion barriers for the two channels are comparable and agree with experimental results.

Xia, Yaobiao; Zhang, Bo; Ye, Jingyun; Ge, Qingfeng; Zhang, Zhenrong



Magnetic Interactions in the Geometrically Frustrated Triangular Lattice Antiferromagnet CuFeO2  

SciTech Connect (OSTI)

The spin-wave excitations of the geometrically frustrated triangular lattice antiferromagnet CuFeO2 have been measured using high resolution inelastic neutron scattering. Antiferromagnetic interactions up to third nearest neighbors in the ab plane (J1, J2, J3, with J2=J1 0:44 and J3=J1 0:57), as well as out-of-plane coupling (Jz, with Jz=J1 0:29) are required to describe the spin-wave dispersion relations, indicating a three-dimensional character of the magnetic interactions. Two energy dips in the spin-wave dispersion occur at the incommensurate wave vectors associated with multiferroic phase and can be interpreted as dynamic precursors to the magnetoelectric behavior in this system.

Ye, Feng [ORNL; Fernandez-Baca, Jaime A [ORNL; Fishman, Randy Scott [ORNL; Ren, Y. [Argonne National Laboratory (ANL); Qiu, Y. [National Institute of Standards and Technology (NIST); Kimura, T. [Osaka University



Magnetic Interaction in the Geometrically Frustrated Triangular LatticeAntiferromagnet CuFeO2  

SciTech Connect (OSTI)

The spin wave excitations of the geometrically frustrated triangular lattice antiferromagnet (TLA) CuFeO2 have been measured using high resolution inelastic neutron scattering. Antiferromagnetic interactions up to third nearest neighbors in the ab plane (J1, J2, J3, with J2=J1 0:44 and J3=J1 0:57), as well as out-of-plane coupling (Jz, with Jz=J1 0:29) are required to describe the spin wave dispersion relations, indicating a three dimensional character of the magnetic interactions. Two energy deeps in the spin wave dispersion occur at the incommensurate wavevectors associated with multiferroic phase, and can be interpreted as dynamic precursors to the magnetoelectric behavior in this system.

Ye, Feng [ORNL; Fernandez-Baca, Jaime A [ORNL; Fishman, Randy Scott [ORNL; Ren, Y. [Argonne National Laboratory (ANL); Kang, H. J. [National Institute of Standards and Technology (NIST); Qiu, Y. [National Institute of Standards and Technology (NIST); Kimura, T. [Los Alamos National Laboratory (LANL)



Changes in O2 and CO surface chemistry with increasing carbon concentration on W(100)  

SciTech Connect (OSTI)

It is pointed out that tungsten carbide (WC) is of interest as an important industrial catalyst. According to a proposed model, the WC surface consists of a layer of carbon atoms beneath the first layer of tungsten atoms. Stefan et al. (1985) have conducted photoemission electron spectroscopy (PES) experiments which show significant similarities in the surface chemistry and electronic structure of WC and the model surface. In the present investigation, PES is employed as a tool to study the changes in O2 and CO surface chemistry on W(100) with carbon concentration increasing from zero to that of the model surface. It was found that 1/2 monolayer of carbon was sufficient to produce a reduction in the tungsten surface peak. Attention is given to carburization of W(100), oxygen adsorption, and CO adsorption. 14 references.

Jupiter, P.J.; Viescas, A.J.; Carbone, C.; Lindau, I.; Spicer, W.E.



Density-functional study of water adsorption on the PuO2(110) surface  

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Water adsorption on a PuO2(110) surface is studied using a periodic model with both the local-density approximation (LDA) and the generalized gradient approximation (GGA) of density-functional theory. The 60 core electrons of the Pu atom are represented by a relativistic effective core potential, and scalar relativistic effects have been incorporated into the valence orbitals. Both molecular and dissociative configurations of the adsorbate H2O are considered at one molecular layer coverage. For molecular water adsorption, LDA calculations indicate binding only at the top site, whereas the GGA indicates no binding for any site. Dissociative adsorption is found to be energetically more favorable than molecular adsorption, in agreement with experimental observations. The effects on the geometric and electronic structures influenced by water adsorption are investigated.

Xueyuan Wu and Asok K. Ray



Inhomogeneous magnetism in the doped kagome lattice of LaCuO2.66  

SciTech Connect (OSTI)

The hole-doped kagome lattice of Cu2+ ions in LaCuO2.66 was investigated by nuclear quadrupole resonance (NQR), electron spin resonance (ESR), electrical resistivity, bulk magnetization and specific heat measurements. For temperatures above 180 K, the spin and charge properties show an activated behavior suggestive of a narrow-gap semiconductor. At lower temperatures, the results indicate an insulating ground state which may or may not be charge ordered. While the frustrated spins in remaining patches of the original kagome lattice might not be directly detected here, the observation of coexisting non-magnetic sites, free spins and frozen moments reveals an intrinsically inhomogeneous magnetism. Numerical simulations of a 1/3-diluted kagome lattice rationalize this magnetic state in terms of a heterogeneous distribution of cluster sizes and morphologies near the site-percolation threshold.

Julien, M.-H. [Laboratoire National des Champs Magn´etiques Intenses; Simonet, V [Institut Neel, CNRS-UJF; Canals, B. [Institut Neel, CNRS-UJF; Garlea, Vasile O [ORNL; Bordet, Pierre [Laboratoire of Cristallographie, Grenoble; Darie, Celine [Laboratoire of Cristallographie, Grenoble



Atmospheric Oxygen Binding and Hole Doping in Deformed Graphene on a SiO2 Substrate  

E-Print Network [OSTI]

Using micro-Raman spectroscopy and scanning tunneling microscopy, we study the relationship between structural distortion and electrical hole doping of graphene on a silicon dioxide substrate. The observed upshift of the Raman G band represents charge doping and not compressive strain. Two independent factors control the doping: (1) the degree of graphene coupling to the substrate, and (2) exposure to oxygen and moisture. Thermal annealing induces a pronounced structural distortion due to close coupling to SiO2 and activates the ability of diatomic oxygen to accept charge from graphene. Gas flow experiments show that dry oxygen reversibly dopes graphene; doping becomes stronger and more irreversible in the presence of moisture and over long periods of time. We propose that oxygen molecular anions are stabilized by water solvation and electrostatic binding to the silicon dioxide surface.

Sunmin Ryu; Li Liu; Stephane Berciaud; Young-Jun Yu; Haitao Liu; Philip Kim; George W. Flynn; Louis E. Brus



Multiple-Stripe Lithiation Mechanism of Individual SnO2 Nanowires in a Flooding Geometry  

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The atomic scale lithiation mechanism of individual SnO2 nanowires in a flooding geometry was revealed by in situ transmission electron microscopy. The lithiation was initiated by the formation of multiple stripes with a width of a few nanometers parallel to the (020) plane traversing the entire wires, serving as multiple reaction fronts for later stages of lithiation. Inside the stripes, we identified a high density of dislocations and enlarged interplanar spacing, which provided an effective path for lithium ion transport. The density of the stripes increased with further lithiation, and eventually they merged with one another, causing a large elongation, volume expansion, and the crystalline-to-amorphous phase transformation. This lithiation mechanism characterized by multiple stripes and multiple reaction fronts was unexpected and differed completely from the expected core-shell lithiation mechanism.

Li Zhong; Xiao Hua Liu; Guo Feng Wang; Scott X. Mao; Jian Yu Huang



Describing excited state relaxation and localization in TiO2 nanoparticles using TD-DFT  

SciTech Connect (OSTI)

We have investigated the description of excited state relaxation in naked and hydrated TiO2 nanoparticles using Time-Dependent Density Functional Theory (TD-DFT) with three common hybrid exchange-correlation (XC) potentials; B3LYP, CAM-B3LYP and BHLYP. Use of TD-CAM-B3LYP and TD-BHLYP yields qualitatively similar results for all structures, which are also consistent with predictions of coupled cluster theory for small particles. TD-B3LYP, in contrast, is found to make rather different predictions; including apparent conical intersections for certain particles that are not observed with TD-CAM-B3LYP nor with TD-BHLYP. In line with our previous observations for vertical excitations, the issue with TD-B3LYP appears to be the inherent tendency of TD-B3LYP, and other XC potentials with no or a low percentage of Hartree-Fock Like Exchange, to spuriously stabilize the energy of charge-transfer (CT) states. Even in the case of hydrated particles, for which vertical excitations are generally well described with all XC potentials, the use of TD-B3LYP appears to result in CT-problems for certain particles. We hypothesize that the spurious stabilization of CT-states by TD-B3LYP even may drive the excited state optimizations to different excited state geometries than those obtained using TD-CAM-B3LYP or TD-BHLYP. Finally, focusing on the TD-CAM-B3LYP and TD-BHLYP results, excited state relaxation in naked and hydrated TiO2 nanoparticles is predicted to be associated with a large Stokes’ shift.

Berardo, Enrico; Hu, Hanshi; van Dam, Hubertus JJ; Shevlin, S. A.; Woodley, Scott M.; Kowalski, Karol; Zwijnenburg, Martijn A.



Structure of GeO2 glass at pressures up to 8.6 GPa  

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The structure of GeO2 glass at pressures extending from ambient to 8.6(5) GPa was measured at ?25?°C by using in situ neutron diffraction. The results show a gradual change in the intermediate range order with increasing density as manifested by an increase in position and reduction in height of the first sharp diffraction peak in the total structure factor. By contrast, the local ordering, as characterized by the Ge-O bond length and coordination number, remains constant for the pressure range from ambient to ?5?GPa. As the pressure is increased further to 8.6(5) GPa, however, a steady increase from 4.0(1) to 4.9(1) is observed in the Ge-O coordination number as the corresponding distance increases from 1.73(2) to 1.77(2)?Å. The results are therefore consistent with the operation of two densification mechanisms, the low-pressure one associated with squeezing the open network of corner-linked tetrahedral motifs and the high-pressure one associated with a transformation of those motifs. There is no evidence in support of an abrupt transformation of the network structure over the investigated pressure range. The structure of permanently densified GeO2 glass was also investigated by high-energy x-ray diffraction. The results show that there is a threshold pressure at ?5?GPa below which the structure of a recovered glass is similar to that of the high-pressure material. Above the threshold pressure there is, however, a reorganization of both the local and intermediate range ordering once the pressure is released and the Ge-O coordination number returns to 4.

James W. E. Drewitt; Philip S. Salmon; Adrian C. Barnes; Stefan Klotz; Henry E. Fischer; Wilson A. Crichton



Facile and surfactant-free synthesis of SnO2-graphene hybrids as high performance anode for lithium-ion batteries  

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A facile microwave-assisted ethylene glycol method is developed to synthesize the SnO2 nanoparticles dispersed on or encapsulated in reduced graphene oxide (SnO2-rGO) hybrids. The morphology, structure, and compo...

Chunhui Tan; Shenlong Zhao; Gai Yang; Suqin Hu; Xianzhong Qin



Identification of Defect Sites on SiO2 Thin Films Grown on Y. D. Kim, T. Wei, and D. W. Goodman*  

E-Print Network [OSTI]

Identification of Defect Sites on SiO2 Thin Films Grown on Mo(112) Y. D. Kim, T. Wei, and D. W properties of SiO2 thin films with a thickness of 0.7-0.8 nm are identical to those of bulk SiO2 properties of the corre- sponding bulk single crystals.1-4 In recent studies SiO2 single-crystalline thin

Goodman, Wayne


Photoresist Trimming in Oxygen-Based High-Density Plasmas:? Effect of HBr and Cl2 Addition to CF4/O2 Mixtures  

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Cl2/CF4/O2c ... using NF3, CF4, SiF4, Cl2, HBr, and He/O2. ... Resist trimming in high-density CF4/O2 plasmas for sub-0.1 ?m device fabrication ...

Chian-Yuh Sin; Bing-Hung Chen; W. L. Loh; J. Yu; P. Yelehanka; A. See; L. Chan



Effects of graphene on MoO2-MoS2 composite as anode material for lithium-ion batteries  

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The electrochemical properties of MoO2-MoS2/graphene electrode were compared with those of MoO2-MoS2, bulk MoS2, and graphene electrode. MoO2-MoS2 composite was prepared by a hydrothermal reaction of molybdenum (...

Moon-Jin Hwang; Kwang Man Kim; Kwang-Sun Ryu



Small Au and Pt Clusters at the Anatase TiO2(101) Surface: Behavior at Terraces, Steps, and Surface Oxygen Vacancies  

E-Print Network [OSTI]

polymorph of titanium dioxide (TiO2). TiO2 is a versatile oxide material with important applications in many@ecust.edu.cn; diebold@tulane.edu Abstract: The adsorption properties of Au and Pt metal nanoclusters on TiO2 anatase edges. A preference for adsorption at type D-(112) steps is observed, which is probably a result

Diebold, Ulrike


Experimental and Computational Evidence of MetalO2 Activation and Rate-Limiting Proton-Coupled Electron Transfer in a Copper  

E-Print Network [OSTI]

-Coupled Electron Transfer in a Copper Amine Oxidase Yi Liu, Arnab Mukherjee, Nadav Nahumi, Mehmet Ozbil,§ Doreen 33146, United States *S Supporting Information ABSTRACT: The mechanism of O2 reduction by copper amine of copper amine oxidases, O2 reduction to H2O2 is physiologically significant,17 serving diverse functions

Roth, Justine P.


Preparation of ?-Fe2O3/SiO2-capsule composites capable of using as drug delivery and magnetic targeting system from hydrophobic iron acetylacetonate and hydrophilic SiO2-capsule  

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Abstract Series of nanocomposites with ?-Fe2O3 supported on SiO2-capsules were prepared by adsorption of hydrophobic iron acetylacetonate on the hydrophilic surface of SiO2-capsules in the evaporation process of the solvent and then calcination the complex at 450 °C. The adsorption and calcination conditions were studied and the resultant nanaoparticles were characterized by XRD, XRF and TEM in detail. The results indicated that ?-Fe2O3 loaded discontinuously but uniformly on the surface of SiO2-capsules at appropriate content. The specific surface area characterization and doxorubicin hydrochloride release shown although the surface area of the target composites decreased slightly, the nanoparticles still had large potential using as drug delivery and magnetic targeting system.

Fengzhu Lv; Liling Fu; Emmanuel P. Giannelis; Genggeng Qi



Anomalous T3 Inverse Hall Mobilities Observed in Sr1-xCuO2 and Sr0.9Nd0.1CuO2 Infinite-Layer Thin Films  

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The infinite-layer CuO2 structure of the SrxCayCuO2 and SrxNd1-xCuO2 systems are predicted to result in a simple 2D Fermi surface and a single hybridized Cu d-O p band. Unlike more complex high-Tc superconductors, the Hall mobilities in these systems should be unaffected by multiband scattering, allowing a more direct interpretation of the data. Here, we report the absence of the T-2 mobility commonly observed in other cuprates, suggesting that the T-2 dependence may originate from interband e--e- scattering. Finally, an anomalous T-2 mobility presents new challenges to our understanding.

Edwin C. Jones; David P. Norton; David K. Christen; Douglas H. Lowndes


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High temperature properties of Ce1-xPrxO2-? as an active layer material for SOFC cathodes  

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We prepared Ce1-xPrxO2-? and investigated its high temperature properties as a material for the composite active layer of a solid oxide fuel cell (SOFC) cathode. We found that increasing the Pr concentration increases the total conductivity and oxygen vacancy concentration at high temperature, and this may lead to improvement of the cathodic reaction. When Ce1-xPrxO2-? is heated, it expands significantly at a certain temperature (Tinf), and this expansion depends on the Ce1-xPrxO2-? composition. The expansion is associated with an abrupt increase in the unit cell volume of the cubic structure. Abrupt increases in the total conductivity and oxygen vacancy concentration were also observed at Tinf. These results can be explained by oxygen vacancy and electron formation (n-type electronic conductivity increase) at Tinf and above Tinf. A sample with a Ce1-xPrxO2-? composition where x = 1.0 has no such Tinf. A composition near x = 1.0 for Ce1-xPrxO2-? is favorable for the active layer material of an SOFC cathode, because of the high conductivity and high concentration of oxygen vacancies.

Reiichi Chiba; Hiroaki Taguchi; Takeshi Komatsu; Himeko Orui; Kazuhiko Nozawa; Hajime Arai



Enhanced lithium storage performance in three-dimensional porous SnO2-Fe2O3 composite anode films  

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Abstract As one of the most promising anode materials in lithium-ion batteries (LIBs), SnO2 attracts wide research attention. The practical application of SnO2 anodes, however, is mainly hampered by huge volume variation during cycling and large initial irreversible capacity. In this paper, three-dimensional porous SnO2-Fe2O3 composite films have been fabricated using the electrostatic spray deposition technique. As an anode for LIBs, the hierarchical porous SnO2-Fe2O3 film possesses a high reversible capacity (1034.1 mAh g-1) and a high initial Coulombic efficiency of 82.9% at a current density of 0.2 A g-1. At the same time, it shows good capacity retention with a capacity of 1025.6 mAh g-1 after 240 cycles and excellent rate performance. The enhanced lithium storage performance should be attributed to the synergistic effect between SnO2 and Fe2O3, as well as the three-dimensional hierarchical porous structure. The results demonstrate that such a three-dimensional porous composite anode shows great potential for application in high-energy lithium-ion batteries.

Tianzhi Yuan; Yinzhu Jiang; Yong Li; Dan Zhang; Mi Yan



Self-assembled porous MoO2/graphene microspheres towards high performance anodes for lithium ion batteries  

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Abstract Three dimensional (3D) porous self-assembled MoO2/graphene microspheres are successfully synthesized via microwave-assisted hydrothermal process in a short reaction time followed by thermal annealing. Such rationally designed multifunctional hybrid nanostructure is constructed from interconnected MoO2 nanoparticles (3–5 nm), which is self-assembled into ordered nanoporous microspheres via strong electrostatic attraction between graphene sheets and MoO2 nanoparticles. The MoO2/graphene hybrid structure delivers a high reversible capacity with significantly enhanced cycling stability (?1300 mAh g?1 after 80 cycles at C/10 rate) and excellent rate capability (913 and 390 mAh g?1 at 2C and 5C rates, respectively), when used as an anode material. The microspheres are interconnected and well encapsulated by the flexible graphene sheets, which not only accommodates large volume change but also increases the electrical conductivity of the hybrid structure. Moreover, nanoporous voids present in the 3D framework facilitate effective electrolyte penetration and make a direct contact with the active MoO2 nanoparticles, thereby greatly enhancing lithium ion transport. The strategic combination of self-assembly, nanoporous voids, 3D network and intriguing properties of graphene sheets provides excellent electrochemical performance as anode materials for Lithium ion battery applications.

Kowsalya Palanisamy; Yunok Kim; Hansu Kim; Ji Man Kim; Won-Sub Yoon



Effect of chromium oxide as active site over TiO2-PILC for selective catalytic oxidation of NO  

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Abstract This study introduced TiO2-pillared clays (TiO2-PILC) as a support for the catalytic oxidation of NO and analyzed the performance of chromium oxides as the active site of the oxidation process. Cr-based catalysts were prepared by a wet impregnation method. It was found that the 10 wt.% chromium doping on the support achieved the best catalytic activity. At 350°C, the NO conversion was 61% under conditions of GHSV = 23600 hr?1. The BET data showed that the support particles had a mesoporous structure. H2-TPR showed that Cr(10)TiP (10 wt.% Cr doping on TiO2-PILC) clearly exhibited a smooth single peak. EPR and XPS were used to elucidate the oxidation process. During the NO + O2 adsorption, the intensity of evolution of superoxide ions (O2?) increased. The content of Cr3+ on the surface of the used catalyst was 40.37%, but when the used catalyst continued adsorbing NO, the Cr3+ increased to 50.28%. Additionally, O?/O? increased markedly through the oxidation process. The NO conversion decreased when SO2 was added into the system, but when the SO2 was removed, the catalytic activity recovered almost up to the initial level. FT-IR spectra did not show a distinct characteristic peak of SO42?.

Jingxin Zhang; Shule Zhang; Wei Cai; Qin Zhong



Interaction potential for SiO2: A molecular-dynamics study of structural correlations  

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An interaction potential consisting of two-body and three-body covalent interactions is proposed for SiO2. The interaction potential is used in molecular-dynamics studies of structural and dynamical correlations of crystalline, molten, and vitreous states under various conditions of densities and temperatures. The two-body contribution to the interaction potential consists of steric repulsion due to atomic sizes, Coulomb interactions resulting from charge transfer, and charge-dipole interaction to include the effects of large electronic polarizability of anions. The three-body covalent contributions include O-Si-O and Si-O-Si interactions which are angle dependent and functions of Si-O distance. In lattice-structure calculations with the total potential function, ?-cristobalite and ?-quartz are found to have the lowest and almost degenerate energies, in agreement with experiments. The energies for ?-cristobalite, ?-quartz, and keatite are found to be higher than those for ?-cristobalite and ?-quartz. Molecular-dynamics calculations with this potential function correctly describe the short- and intermediate-range order in molten and vitreous states.In the latter, partial pair-distribution functions give Si-O, O-O, and Si-Si bond lengths of 1.62, 2.65, and 3.05 Å, respectively. The vitreous state consists of nearly ideal Si(O1/2)4 tetrahedra in corner-sharing configurations. The Si-O-Si bond-angle distribution has a peak at 142° and a full width at half maximum (FWHM) of 25° in good agreement with nuclear magnetic resonance experiments. The calculated static structure factor is also in agreement with neutron-diffraction experiments. Partial static structure factors reveal that intermediate-range Si-Si, O-O, and Si-O correlations between 4 and 8 Å give rise to the first sharp diffraction peak (FSDP). The FSDP is absent in charge-charge structure factor, which indicates that charge neutrality prevails over length scales between 4 and 8 Å. Dynamical correlations in vitreous and molten states, phonon densities of states of crystalline and vitreous SiO2, infrared spectra of crystalline, vitreous and molten states, isotope effect, distribution of rings and their structure in molten and vitreous states, and structural transformations at high pressures will be discussed in subsequent papers.

P. Vashishta; Rajiv K. Kalia; José P. Rino; Ingvar Ebbsjö



Fabrication of TiO2 film with different morphologies on Ni anode and application in photoassisted water electrolysis  

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The anode of an alkaline electrolytic cell for water electrolysis was modified by TiO2 photocatalysts with different morphologies. The water electrolysis was coupled with photocatalytic decomposition of water by irradiation of UV light on the modified anode. And a feasible process for the hydrogen production of water electrolysis assisted by photocatalysis (WEAP) was proposed and experimentally confirmed. The results show that the highly ordered, vertically oriented tubular arrays structure on Ni anode surface has better hydrogen production performance than random TiO2. In WEAP process, the maximum rate of hydrogen production is 2.77 ml/(h*cm2) when the anode modified by ordered TiO2 nanotube arrays, compared to traditional alkaline electrolytic cell for water electrolysis with Ni anode, H2-production rate increased by 139%.

Hongbo He; Aiping Chen; Hui Lv; Haijun Dong; Ming Chang; Chunzhong Li



Detailed arsenic concentration profiles at Si/SiO2 interfaces  

SciTech Connect (OSTI)

The pile-up of arsenic at the Si/SiO2 interface after As implantation and annealing was investigated by high resolution Z-contrast imaging, electron energy-loss spectroscopy EELS, grazing incidence x-ray fluorescence spectroscopy GI-XRF, secondary ion mass spectrometry, x-ray photoelectron spectroscopy, Rutherford backscattering spectrometry, as well as Hall mobility and four-point probe resistivity measurements. After properly taking into account their respective artifacts, the results of all methods are compatible with each other, with EELS and GI-XRF combined with etching providing similar spatial resolution on the nanometer scale for the dopant profile. The sheet concentration of the piled-up As at the interface was found to be 11015 cm 2 for an implanted dose of 11016 cm 2 with a maximum concentration of 10 at. %. The strain observed in the Z-contrast images also suggests a significant concentration of local distortions within 3 nm from the interface, which, however, do not seem to involve intrinsic point defects.

Pei, Lirong [ORNL; Duscher, G. [University of Tennessee, Knoxville (UTK) & Oak Ridge National Laboratory (ORNL); Steen, Christian [Chair of Electron Devices, University of Erlangen-Nuremberg, Cauerstrasse 6, 91058 Erlangen,; Pichler, Peter [Fraunhofer-Institute, Freiburg, Germany; Ryssel, Heiner [Fraunhofer Institute of Integrated Systems and Device Technology, Schottkystrasse 10, 91058 Erlangen; Napolitani, Enrico [MATIS-CNR-INFM and Dipartimento di Fisica, Università di Padova, via Marzolo 8, 35141 Padova, Italy; De Salvador, Davide [MATIS-CNR-INFM and Dipartimento di Fisica, Università di Padova, via Marzolo 8, 35141 Padova, Italy; Piro, Alberto [MATIS-CNR-INFM and Dipartimento di Fisica e Astronomia, Universita di Catania, Via S. Sofia 64,; Terrasi, Antonio [MATIS-CNR-INFM and Dipartimento di Fisica e Astronomia, Universita di Catania, Via S. Sofia 64,



OH Group Dynamics of 1, 3-propanediol on TiO2(110)  

SciTech Connect (OSTI)

Variable-temperature scanning tunneling microscopy and dispersion-corrected density functional theory were employed to study the interaction of 1,3 propanediol with reduced TiO2(110) surfaces. We find that at 300 K, 1,3-propanediol molecules dissociate via O-H bond scission of one of the OH groups on bridge-bonded oxygen (Ob) vacancy (VO) defects forming pairs of monoalkoxide (Ob-(CH2)3-OH) and bridge-bonded bonded hydroxyl (HOb) species. The OH group of the monoalkoxide species is bound to the adjacent 5-coordinated Ti4+ (Ti5c) sites. The Ob-(CH2)3-OH species are observed to rotate around their Ob anchor, switching the position of the OH between the two adjacent Ti5c rows. The rotating species are found to assist the cross-Ob row HOb hydrogen transfer. The OH group of the monoalkoxide species is further observed to dissociate forming bidentate type dioxo (Ob-(CH2)3-"O" _(?"Ti" ?_"5c" )) species and an additional HOb. The reversible interconversion between the mono- and di-oxo species illustrates a formation of the equilibrium between these conjugate acid/base pairs.

Zhang, Zhenrong; Yoon, Yeohoon; Lin, Xiao; Acharya, Danda P.; Kay, Bruce D.; Rousseau, Roger J.; Dohnalek, Zdenek



Comment on "Structure and dynamics of liquid water on rutile TiO2(110)  

SciTech Connect (OSTI)

Liu and co-workers [Phys. Rev. B 82, 161415 (2010)] discussed the long-standing debate regarding whether H2O molecules on the defect-free (110) surface of rutile ( -TiO2) sorb associatively, or there is dissociation of some or all first-layer water to produce hydroxyl surface sites. They conducted static density functional theory (DFT) and DFT molecular dynamics (DFT-MD) investigations using a range of cell configurations and functionals. We have reproduced their static DFT calculations of the influence of crystal slab thickness on water sorption energies. However, we disagree with several assertions made by these authors: (a) that second-layer water structuring and hydrogen bonding to surface oxygens and adsorbed water molecules are weak ; (b) that translational diffusion of water molecules in direct contact with the surface approaches that of bulk liquid water; and (c) that there is no dissociation of adsorbed water at this surface in contact with liquid water. These assertions directly contradict our publishedwork, which compared synchrotron x-ray crystal truncation rod, second harmonic generation, quasielastic neutron scattering, surface charge titration, and classical MD simulations of rutile (110) single-crystal surfaces and (110)-dominated powders in contact with bulk water, and (110)-dominated rutile nanoparticles with several monolayers of adsorbed water.

Wesolowski, David J [ORNL; Sofo, Jorge O. [Pennsylvania State University; Bandura, Andrei V. [St. Petersburg State University, St. Petersburg, Russia; Zhang, Zhan [Argonne National Laboratory (ANL); Mamontov, Eugene [ORNL; Predota, M. [University of South Bohemia, Czech Republic; Kumar, Nitin [ORNL; Kubicki, James D. [Pennsylvania State University; Kent, Paul R [ORNL; Vlcek, Lukas [ORNL; Machesky, Michael L. [Illinois State Water Survey, Champaign, IL; Fenter, Paul [Argonne National Laboratory (ANL); Cummings, Peter T [ORNL; Anovitz, Lawrence {Larry} M [ORNL; Skelton, A A [Vanderbilt University; Rosenqvist, Jorgen K [ORNL



Ternary Pt/Rh/SnO2 Electrocatalysts for Oxidizing Ethanol to CO2  

SciTech Connect (OSTI)

Ethanol, with its high energy density, likely production from renewable sources and ease of storage and transportation, is almost the ideal combustible for fuel cells wherein its chemical energy can be converted directly into electrical energy. However, commercialization of direct ethanol fuel cells has been impeded by ethanol's slow, inefficient oxidation even at the best electrocatalysts1, 2. We synthesized a ternary PtRhSnO2/C electrocatalyst by depositing platinum and rhodium atoms on carbon-supported tin dioxide nanoparticles that is capable of oxidizing ethanol with high efficiency and holds great promise for resolving the impediments to developing practical direct ethanol fuel cells. This electrocatalyst effectively splits the C-C bond in ethanol at room temperature in acid solutions, facilitating its oxidation at low potentials to CO2, which has not been achieved with existing catalysts. Our experiments and density functional theory calculations indicate that the electrocatalyst's activity is due to the specific property of each of its constituents, induced by their interactions. These findings help explain the high activity of Pt-Ru for methanol oxidation and the lack of it for ethanol oxidation, and point to the way to accomplishing the C-C bond splitting in other catalytic processes.

Kowal, A.; Li, M; Shao, M; Sasaki, K; Vukmirovic, M; Zhang, J; Marinkovic, N; Liu, P; Frenkel, A; Adzic, R



Growing TiO2 nanowires on the surface of graphene sheets in supercritical CO2: characterization and photoefficiency  

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Tremendous interest exists towards synthesizing nanoassemblies for dye-sensitized solar cells (DSSCs) using earth-abundant and -friendly materials with green synthetic approaches. In this work, high surface area TiO2 nanowire arrays were grown on the surface of functionalized graphene sheets (FGSs) containing ?COOH functionalities acting as a template by using a sol–gel method in the green solvent, supercritical carbon dioxide (scCO2). The effect of scCO2 pressure (1500, 3000 and 5000 psi), temperature (40, 60 and 80?°C), acetic acid/titanium isopropoxide monomer ratios (HAc/TIP = 2, 4 and 6), functionalized graphene sheets (FGSs)/TIP weight ratios (1:20, 1:40 and 1:60 w/w) and solvents (EtOH, hexane) were investigated. Increasing the HAc/TIPweight ratio from 4 to 6 in scCO2 resulted in increasing the TiO2 nanowire diameter from 10 to 40 nm. Raman and high resolution XPS showed the interaction of TiO2 with the ?COOH groups on the surface of the graphene sheets, indicating that graphene acted as a template for polycondensation growth. UV–vis diffuse reflectance and photoluminescence spectroscopy showed a reduction in titania's bandgap and also a significant reduction in electron–hole recombination compared to bare TiO2 nanowires. Photocurrent measurements showed that the TiO2nanowire/graphene composites prepared in scCO2 gave a 5? enhancement in photoefficiency compared to bare TiO2 nanowires.

Nasrin Farhangi; Yaocihuatl Medina-Gonzalez; Rajib Roy Chowdhury; Paul A Charpentier



Prediction of O2 Dissociation Kinetics on LaMnO3-Based Cathode Materials for Solid Oxide Fuel Cells  

SciTech Connect (OSTI)

First-principles and statistical-theory calculations were applied to examine the interactions between oxygen molecules and the (100) surfaces of LaMnO3 and La0.5Sr0.5MnO2.75, one of the most-used cathode materials in solid oxide fuel cells (SOFCs). To predict the rate constants for the interactions between O2 and LaMnO3 or La0.5Sr0.5MnO2.75, potential energy profiles were constructed using the nudged elastic band (NEB) method. Predicted rate constants for the dissociation of adsorbed oxygen species on LaMnO3 (lm) and La0.5Sr0.5MnO2.75 (lsm) can be expressed as kdiss,lm ) 2.35 × 1012 exp(-0.50 eV/RT) s-1 and kdiss,lsm ) 2.15 × 1012 exp(-0.23 eV/RT) s-1, respectively, in the temperature range of 873-1273 K at 1 atm. Because the activation energy for oxygen dissociation on La0.5Sr0.5MnO2.75 (0.23 eV) is much smaller than that on LaMnO3 (0.50 eV), oxygen vacancies greatly enhance O2 dissociation kinetics. The kinetic and mechanistic studies for the interactions at the molecular level are imperative to gaining a fundamental understanding of oxygen reduction kinetics on cathode materials and to providing important insight into the rational design of more catalytically active cathode materials for SOFCs.

Choi, Yongman; Lynch, Matthew E.; Lin, M. C.; Liu, Meilin



Isotopic tracer studies of oxygen transport through SiO2 films at 1000?°C using secondary ion mass spectrometry  

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Dry oxides (?8 ppm H2O) grown on Si(100) at 1000?°C at 1 atm using purified 1 6O2 and purified 1 8O2 were analyzed using secondary ion mass spectrometry.1 8O is observed at the interface in the bulk of the 1 6O oxide and at the surface in agreement with other recent reports. Our results show little lattice diffusion in agreement with Mikkelsen’s work [Appl. Phys. Lett. 4 5 1187 (1984)]. A previous report [J. Electrochem. Soc. 1 3 1 1944 (1984)] of appreciable lattice diffusion is due to higher water content.

C. J. Han; C. R. Helms



XAFS Study of Active Tungsten Species on WO3/TiO2 as a Catalyst for Photo-SCR  

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The activity of the photo-assisted selective catalytic reduction of NO with NH3 (photo-SCR) was enhanced by the addition of WO3 to TiO2. From the result of XAFS analysis, the W species on TiO2 had a WO4 tetrahedral structure and agglutination took place as the addition of WO3 was increased. We conclude that the isolated W species enhances the surface acidity and photo-SCR activity whereas the agglutinated W species is an inactive species.

Yamazoe, Seiji; Masutani, Yasuyuki; Shishido, Tetsuya; Tanaka, Tsunehiro [Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Kyoto 615-8510 (Japan)



Preparation of TiO2(110)-(1x1) Surface via UHV Cleavage: An scanning tunneling microscopy study  

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TiO2(110) surface was successfully prepared in-situ by UHV cleaving of a commercial TiO2 crystal.. STM imaging revealed atomically flat more than 1 ?m wide terraces with (110) orientation separated by steps running in [001] direction, with very low kink density. Atomically resolved STM images show periodicity in the [001] and [ ] directions with the unit cell parameters measured to ~3 Å and 6.5 Å respectively which are closed to the expected values of bulk terminated (1x1) surface.

Bondarchuk, Olexsandr; Lyubinetsky, Igor



Thermal Processing and Characterizations of Dye-Sensitized Solar Cells Based on Nanostructured TiO2  

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Thermal Processing and Characterizations of Dye-Sensitized Solar Cells Based on Nanostructured TiO2 ... This work reports an extensive study about the effects of thermal treatments on the performance of TiO2-based dye-sensitized solar cells. ... The current–voltage characteristics were measured using an Advantest R6243 current/voltage unit after a 10 min wait for achieving thermal equilibrium under AM 1.5G, simulated solar light of 100 mW cm–2 and irradiated from a WACOM super solar simulator. ...

Filippo Fabbri; Francesca Detto; Nicola Armani; Norifusa Satoh; Tullo Besagni; Maura Pavesi; Giancarlo Salviati



Effect of CeO2 and La2O3 on the Activity of CeO2?La2O3/Al2O3-Supported Pd Catalysts for Steam Reforming of Methane  

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The effect of the addition of CeO2 or La2O3 on the surface properties and catalytic behaviors of Al2O3-supported Pd catalysts was studied in the steam reforming of methane. The FTIR spectroscopy of adsorbed CO an...

W. H. Cassinelli; L. S. F. Feio; J. C. S. Araújo; C. E. Hori…



TiO2(R)/VO2(M)/TiO2(A) multilayer film as smart window: Combination of energy-saving, antifogging and self-cleaning functions  

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Abstract A novel Multifunctional TiO2(R)/VO2(M)/TiO2(A) multilayer film is designed and deposited by medium frequency reactive magnetron sputtering. An exciting fact that the antifogging, self-cleaning and energy-saving effects are integrated into the multilayer film could offer significant potential for wider applications of smart window. Thereinto, the bottom TiO2 layer with rutile phase plays an important role in the formation of monoclinic phase of VO2 layer and serves as an antireflection layer. Then, the VO2 layer with dominant monoclinic phase performs an automatic solar/heat control for saving energy. Finally, the top TiO2 layer containing a mixed phase of anatase and rutile displays the remarkable photocatalytic and photoinduced properties. According to optical tests, the multilayer film shows satisfactory optical properties with an excellent solar regulation efficiency (?Tsol=10.2%) and an applicable luminous transmittance (Tlum-L=30.1%) in a low-temperature state. In addition, the multilayer film implements a photoinduced super-hydrophilicity (~ 2.1°) through UV-irradiation, resulting in an antifogging effect. A high level of photocatalytic activity is detected on the surface of the multilayer film through degradation of stearic acid and rhodamine B.

Jianyun Zheng; Shanhu Bao; Ping Jin



Reductive atmosphere of supercritical water with RuO2 resulting in TcO2 colloid: Spectroscopic, morphological and crystallographic study on solutions and precipitates in Hastelloy C-22  

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In order to study the complicated behavior of technetium observed under various conditions of supercritical water (SCW), i.e. quantitative transfer to solid phase, strong adsorption onto the metal surface, or efficient dissolution from the metal surface, solutions and precipitates prepared in reactors made of Hastelloy C-22 in contact with the SCW containing technetium solutions were studied by absorption spectroscopy, TEM, EDX and electron diffraction. Under SCW with or without H2O2, NiCr2O4 and NiMoO4 was produced as the scales (corrosion products) of Hastelloy C-22. Under SCW with RuO2 the formation of colloidal structure comprised of ruthenium metal and TcO2, which may be named as “Tc-Ru-Colloid”, were observed. It is worthy of note that the formation of TcO42? from pertechnatate TcO4? (+0.596 V) and the disproportionation of TcO42? is plausible at present in spite of the moderate reductive atmosphere (?0.533 to +0.114 V) estimated from the observation (the existence of TcO2 and the absence of NiMoO4) by TEM and electron diffraction.

T. Yamamura; K. Yubuta; I. Satoh; Y. Yoshida; Y. Shiokawa; T. Sekine; W. Sugiyama; K.-C. Park; H. Tomiyasu



Electronic stopping power for heavy ions in SiC and SiO2  

SciTech Connect (OSTI)

Accurate information of electronic stopping power is fundamental for broad advances in electronic industry, space exploration, national security, and sustainable energy technologies. The Stopping and Range of Ions in Matter (SRIM) code has been widely applied to predict stopping powers and ion distributions for decades. Recent experimental results have, however, shown considerable errors in the SRIM predictions for stopping of heavy ions in compounds containing light elements, indicating an urgent need to improve current stopping power models. The electronic stopping powers of 35Cl, 80Br, 127I, and 197Au ions are experimentally determined in two important functional materials, SiC and SiO2, from tens to hundreds keV/u based on a single ion technique. By combining with the reciprocity theory, new electronic stopping powers are suggested in a region from 0 to 15 MeV, where large deviations from SRIM predictions are observed. For independent experimental validation of the electronic stopping powers we determined, Rutherford backscattering spectrometry (RBS) and secondary ion mass spectrometry (SIMS) are utilized to measure the depth profiles of implanted Au ions in SiC with energies from 700 keV to 15 MeV. The measured ion distributions from both RBS and SIMS are considerably deeper (up to ~30%) than the predictions from the commercial SRIM code. In comparison, the new electronic stopping power values are utilized in a modified TRIM-85 (the original version of the SRIM) code, M-TRIM, to predict ion distributions, and the results are in good agreement with the experimentally measured ion distributions.

Jin, Ke [University of Tennessee, Knoxville (UTK)] [University of Tennessee, Knoxville (UTK); Zhang, Yanwen [ORNL] [ORNL; Zhu, Zihua [Pacific Northwest National Laboratory (PNNL)] [Pacific Northwest National Laboratory (PNNL); Grove, David A. [Luxel Corporation] [Luxel Corporation; Xue, Haizhou [University of Tennessee, Knoxville (UTK)] [University of Tennessee, Knoxville (UTK); Xue, Jianming [Peking University] [Peking University; Weber, William J [ORNL] [ORNL


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Conversion of 1,3-Propylene Glycol on Rutile TiO2(110)  

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The adsorption of 1,3-propylene glycol (1,3-PG) on partially reduced TiO2(110) and its conversion to products have been studied by a combination of molecular beam dosing and temperature programmed desorption (TPD). When the Ti surface sites are saturated by 1,3-PG, ~80% of the molecules undergo further reactions to yield products that are liberated during the TPD ramp. In contrast to ethylene glycol (EG) and 1,2- propylene glycol (1,2-PG) that yield only alkenes and water at very low coverages (< 0.05 ML), two additional products, HCHO and C2H4, along with propylene (CH3CHCH2) and water are observed for 1,3-PG. Identical TPD line shapes and desorption yields for HCHO and C2H4 suggest that these products result from C-C bond cleavage and are coupled. At higher 1,3-PG coverages (> 0.1 ML), propanal (CH3CH2CHO) and two additional products, 1-propanol (CH3CH2CH2OH) and acrolein (CH2CHCHO), are observed. The desorption of 1-propanol is found to be coupled with the desorption of acrolein, suggesting that these products are formed by the disproportionation of two 1,3-PG molecules. The coverage dependent TPD results further show that propylene formation dominates at low coverages (< 0.3 ML), while the decomposition and disproportionation channels increase rapidly at higher coverages and reach yields comparable to that of propylene at the 1,3-PG saturation coverage of 0.5 ML. The observed surface chemistry clearly shows how the molecular structure of glycols influences their reaction pathways on oxide surfaces.

Chen, Long; Li, Zhenjun; Smith, R. Scott; Kay, Bruce D.; Dohnalek, Zdenek



Raman spectroscopic study of the pressure-induced coordination change in GeO2 glass  

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Raman spectra of GeO2 glass are recorded in situ as a function of pressure to 56 GPa at room temperature. Under initial compression to 6 GPa the main 419-cm-1 Raman band shifts to higher frequency and broadens with a gradual loss of intensity. These spectral changes are consistent with an increase in distortion of GeO4 tetrahedra and a decrease in the intertetrahedral bond angle with pressure. Between 6 and 13 GPa (the pressure range of the reported fourfold- to sixfold-coordination change of Ge in germania glass) the main Raman band broadens, and the scattering intensity is dramatically reduced with little shift in peak frequency. This pressure interval is also marked with the appearance and growth of a broad low-frequency band near 240 cm-1. The inferred pressure-induced coordination change occurs without the formation of nonbridging oxygens. Above 13 GPa no further major structural changes are indicated by the Raman data taken with pressures up to 56 GPa. On decompression the back transformation of octahedral Ge to tetrahedral coordination is complete but exhibits a large hysteresis. The Raman data indicate that the high-coordinate germanium species are retained down to pressures of at least 2.3 GPa. In samples decompressed from high pressures, the intensity of the 520-cm-1 ‘‘defect’’ band is considerably enhanced relative to that in normal germania glass, consistent with an increase in three-membered-ring population. It is proposed that a large component of this increase in three-membered rings is a result of the reversion of OIII species to tetrahedra-bridging OII species under decompression.

Dan J. Durben and George H. Wolf



In situ deposition method preparation of Li4Ti5O12–SnO2 composite materials for lithium ion batteries  

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A Li4Ti5O12–SnO2 composite anode material for lithium-ion batteries has been prepared by loading various amounts of nano-SnO2 on Li4Ti5O12 to obtain composite materials with improved electrochemical performance relative to Li4Ti5O12 and SnO2. The composite materials were characterized by XRD, IR and SEM. The results indicated that SnO2 particles have encapsulated on the surface of the Li4Ti5O12 uniformly and tightly. The influence of SnO2 proportion on the electrochemical properties of Li4Ti5O12–SnO2 composite material was investigated and discussed. The results showed that Li4Ti5O12–SnO2 (5%) has the best cycling behavior among all the samples. At a current rate of 0.5 mA cm?2, the material delivered a discharge capacity of 189 mAh g?1 after 42 cycles. Electrochemical results indicated that the Li4Ti5O12–SnO2 composites increased the reversible capacity of Li4Ti5O12 and cycling reliability of the SnO2 anode material. It suggests the existence of synergistic interaction between Li4Ti5O12 and SnO2 and that the capacity of the composite is not a simple weighted sum of the capacities of the individual components.

Yan-Jing Hao; Qiong-Yu Lai; Yuan-Duan Chen; Ji-Zheng Lu; Xiao-Yang Ji



Large Polyoxotitanate Clusters: Well-Defined Models for Pure-Phase TiO2 Structures and Surfaces  

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Figure 2. Experimental XRD powder patterns of commercially available TiO2 (Degussa P25, red line) and powder obtained from reactions at 160 °C (blue line) overlaid with calculated powder pattern for anatase (green line) using Mercury (fwhm = 0.7°). ...

Jason B. Benedict; Renata Freindorf; Elzbieta Trzop; Jeffrey Cogswell; Philip Coppens



19.2% Efficient InP Heterojunction Solar Cell with Electron-Selective TiO2 Contact  

E-Print Network [OSTI]

19.2% Efficient InP Heterojunction Solar Cell with Electron-Selective TiO2 Contact Xingtian Yin of California, Berkeley, California 94720, United States Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States § Electronic Materials Research Laboratory

Javey, Ali


Highly stable Ni catalyst supported on Ce–ZrO2 for oxy-steam reforming of methane  

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A novel catalyst, Ni/Ce–ZrO2..., exhibits very high catalytic activity and stability even in the stoichiometric steam reforming of methane (H2O/CH4...= 1). Furthermore, when it was employed in oxy-steam reforming

Hyun-Seog Roh; Ki-Won Jun; Wen-Sheng Dong; Sang-Eon Park…



Nano TiO2 as a New Tool for Mothproofing of Wool: Protection of Wool against Anthrenus verbasci  

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Nano TiO2 as a New Tool for Mothproofing of Wool: Protection of Wool against Anthrenus verbasci ... 2.3 Scouring and Bleaching Treatment ... Scouring of wool fabrics was performed using 1% nonionic detergent (based on weight of fabric, OWF) at 60 °C for 60 min with a liquor to goods ratio of 30:1. ...

Ali Nazari; Majid Montazer; Mehdi Dehghani-Zahedani



Ternary PtSnRhSnO2 nanoclusters: synthesis and electroactivity for ethanol oxidation fuel cell reaction  

E-Print Network [OSTI]

Ternary PtSnRh­SnO2 nanoclusters: synthesis and electroactivity for ethanol oxidation fuel cell a superior long-term activity and stability towards ethanol oxidation than the commercial Pt catalyst. Our. Ethanol becomes an attractive fuel in the fuel cell reactions compared with methanol and hydrogen, because

Frenkel, Anatoly


CO Oxidation at the Au-Cu Interface of Bimetallic Nanoclusters Supported on CeO2(111)  

E-Print Network [OSTI]

of tunable interfaces, metal and oxide,9,12,15-18 metal and carbide,19 and oxide and oxide,2 of the structure of CeO2(111)-supported Au- based bimetallic nanoclusters (NCs) show that a strong support-metal Materials, and Catalysis The critical role of the interface between a supporting oxide and supported metal

Henkelman, Graeme


How Graphene Slides: Measurement and Theory of Strain-Dependent Frictional Forces between Graphene and SiO2  

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How Graphene Slides: Measurement and Theory of Strain-Dependent Frictional Forces between Graphene and SiO2 ... Strain, bending rigidity, and adhesion are interwoven in determining how graphene responds when pulled across a substrate. ... Using Raman spectroscopy of circular, graphene-sealed microchambers under variable external pressure, we demonstrate that graphene is not firmly anchored to the substrate when pulled. ...

Alexander L. Kitt; Zenan Qi; Sebastian Rémi; Harold S. Park; Anna K. Swan; Bennett B. Goldberg



Structural phase transition in ZrO2 induced by swift heavy ion irradiation at high pressure  

E-Print Network [OSTI]

Structural phase transition in ZrO2 induced by swift heavy ion irradiation at high pressure B transition becomes larger with increasing pressure. Keywords: Zirconia, phase transition, high pressure-temperature poly- morphs (tetragonal and cubic) (see Fig 1). At about 1200 C, a martensitic-type phase transition

Paris-Sud XI, Université de


Application of U(2)?O(2) and U(2)?U(1) dynamical symmetries to diatomic molecular vibrations  

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Algebraic Hamiltonians based on the Casimir invariants of U(1) and O(2) dynamical symmetries of U(2) are used to describe the vibrational energy level spectrum of a diatomic molecule. The set of vibrational eigenstates arising from the U(1) chain remains closed under the operation of the appropriate ladder operators, whereas no such closure occurs in the case of the O(2) chain. This result is shown to be a consequence of the differing roles of the dimension of the irreducible representation of U(2), the so-called vibron number, in the two dynamical symmetry chains. A simple procedure is proposed to effect closure in the O(2) chain, as required for the eigenstates of a Morse oscillator Hamiltonian, to which the algebraic Hamiltonian based on the quadratic Casimir invariant of O(2) reduces within a coordinate representation. For each symmetry chain, application of the Holstein-Primakoff transformation leads to a set of ladder operators that act on one-dimensional harmonic oscillator eigenstates. Explicit comparison of the two dynamical symmetry chains is made with respect to the vibrational energy spectrum of the hydrogen molecule in its ground electronic state.

Ian L. Cooper and Raj K. Gupta



Magnetic properties of epitaxial Co-doped anatase TiO2 thin films with excellent structural quality  

SciTech Connect (OSTI)

The heteroepitaxy of Co-doped anatase TiO2 on LaAlO3(001) has been refined with the goal of determining the relationship between structural quality and magnetic ordering. By significantly reducing the deposition rate and substrate temperature, well-ordered Co:TiO2 films with unprecedented crystalline quality were obtained by oxygen-plasma-assisted molecular beam epitaxy, as characterized by x-ray diffraction. These films exhibit uniform Co doping, with no evidence of Co segregation or secondary phases throughout the film depth or on the surface. Despite the improvement in crystalline quality and Co distribution, the films exhibit negligible ferromagnetism, with saturation moments of only ~0.1 ?B/Co. This loss of ferromagnetism is in stark contrast to faster-grown Co:TiO2 films, where a higher growth rate and substrate temperature typically result in lower crystalline quality, a highly non-uniform Co distribution, and average saturation moments of ~1.2 ?B/Co. The presence of ferromagnetism in faster-grown Co:TiO2 does not appear to arise from intrinsic point defects present in the bulk material, such as charge-compensating oxygen vacancies, but is instead attributed to the presence of extended structural defects.

Kaspar, Tiffany C.; Droubay, Timothy C.; McCready, David E.; Nachimuthu, Ponnusamy; Heald, Steve M.; Wang, Chong M.; Lea, Alan S.; Shutthanandan, V.; Chambers, Scott A.; Toney, Michael F.



In-situ X-ray diffraction activation study on an Fe/TiO2 pre-catalyst  

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It is well known that pre-treatment procedures affect catalyst performance. In situ X-ray diffraction was used in this study to monitor the changes in phase composition and crystallite size during the pre-treatment of Fe/TiO2 catalysts, yielding insight into crystalline and non-crystalline phase changes and metal-support interactions.

Rayner, M.K.



Continuous-wave laser oscillation on the 1315 nm transition of atomic iodine pumped by O2,,a1  

E-Print Network [OSTI]

diagram of the flow tube setup is shown in Fig. 1. A radio-frequency rf electric discharge at 13.56 MHz nm transition of atomic iodine where the O2 a1 used to pump the iodine was produced by a radio-frequency operating between two internal hollow cathode electrodes was used as the excitation source. The plasma zone

Carroll, David L.


Boltzmann Equation Analysis of Electron Transport in a N2O2 Streamer Discharge Sasa Dujko1;2;3  

E-Print Network [OSTI]

Boltzmann Equation Analysis of Electron Transport in a N2­O2 Streamer Discharge Sasa Dujko1;2;3�, P. O. Box 68, Zemun, Belgrade 11080, Serbia 3 ARC Centre for Antimatter­Matter Studies, School of the reduced electric field. The fluid model is coupled with the Monte Carlo model via a model interface

Ebert, Ute


Voltage Oscillations in Single-Chamber Fuel Cells operating under a C3H8 / O2 mixture.  

E-Print Network [OSTI]

1 Voltage Oscillations in Single-Chamber Fuel Cells operating under a C3H8 / O2 mixture. Geoffroy : Jean-Paul Viricelle, viricelle@emse.fr Phone : 33 4 77 42 02 52 Abstract : Single-Chamber Fuel Cells this behaviour. Keywords: Single Chamber Fuel Cell, Propane, Oscillation, Anode. 1. Introduction Solid Oxide Fuel

Paris-Sud XI, Université de


Assessment of kinetic modeling for lean H2/CH4/O2/diluent flames at high pressures  

E-Print Network [OSTI]

) and HO2 + H with the main branching reactions. Methane addition is shown to influence the pressure: Hydrogen; Methane; Syngas; Flame speed; Chemical mechanism 1. Introduction The H2/O2 reaction system CO, CO2, H2O, CH4 and other small hydrocarbons (synthetic gas or "syngas") from coal or biomass

Ju, Yiguang


O2, CH4 and CO2 gas retentions by acid smectites before and after thermal treatment  

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Acid smectites in natural condition and after thermal treatment up to 900 °C were studied for their O2, CH4 and CO2 gas retentions at 25 °C and 1 kg/cm2. Two smectites, one dioctahedral and one trioctahedral, wer...

C. Volzone; J. Ortiga


Growth and characterization of UHV sputtering HfO2 film by plasma oxidation and low temperature annealing  

Science Journals Connector (OSTI)

Ultra-thin (?4.0 nm) HfO2 films were fabricated by plasma oxidation of sputtered metallic Hf films with post low temperature annealing. Advantage of this fabrication process is that the pre-deposition of Hf metal...

Q. Li; S. J. Wang; W. D. Wang; D. Z. Chi; A. C. H. Huan…


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Journal of Power Sources 156 (2006) 345354 Development of PtRu-CeO2/C anode electrocatalyst for  

E-Print Network [OSTI]

Journal of Power Sources 156 (2006) 345­354 Development of PtRu-CeO2/C anode electrocatalyst a growing interest in the development of direct methanol fuel cells (DMFCs) because when compared oxidation reac- tion on the anode and the oxygen reduction reaction on the cathode remains as one

Zhao, Tianshou


Muon Spin Relaxation Measurements of NaxCoO2 yH2O A. Kanigel,1  

E-Print Network [OSTI]

Muon Spin Relaxation Measurements of NaxCoO2 yH2O A. Kanigel,1 A. Keren,1,2 L. Patlagan,1 K. B 2004) Using the transverse field muon spin relaxation technique, we measure the temperature dependence and the width of the transverse field muon spin rota- tion (TF-SR) line at low temperatures, 0 / ÿ2 , where

Keren, Amit


Novel CeO2-based Screen-Printed Potentiometric Electrodes for pH monitoring S. Betelu1*  

E-Print Network [OSTI]

) is a possible candidate for nuclear waste storage. This work investigates the applicability of CeO2-based oxides transformations can be acquired using sensors, thus enabling the sustainable management of long-term safety Abstract Nuclear waste repositories are being installed in deep excavated rock formations in some places

Boyer, Edmond


Heterogeneous deposition of Cu2O nanoparticles on TiO2 nanotube array films in organic solvent  

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A novel method for decoration of anodic TiO2 nanotube array films (NAFs) with Cu2O nanoparticles has been reported. The method is based on the reduction of Cu(II) in a mixture of ethylene glycol and N, N-dimethylformamide at 120°C ...

Xinwen Huang; Zongjian Liu



Functional carbon nanotube/mesoporous Carbon/MnO2 hybrid network for high-performance supercapacitors  

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A functional carbon nanotube/mesoporous carbon/MnO2 hybrid network has been developed successfully through a facile route. The resulting composites exhibited a high specific capacitance of 351 F/g at 1 Ag-1, with intriguing charge/discharge ...

Tao Tao, Ling Zhang, Hao Jiang, Chunzhong Li



Phase transformation of the brownmillerite SrCoO2.5 thin film through alkaline water electrolysis  

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A phase transformation from insulating brownmillerite SrCoO2.5 to conducting perovskite SrCoO3 through electrochemical oxidation has been demonstrated for thin films of SrCoOx on a SrTiO3 (001) substrate. The cob...

Octolia Togibasa Tambunan; Min Young Lee…



Hierarchically Structured Microspheres for High-Efficiency Rutile TiO2Based Dye-Sensitized Solar Cells  

E-Print Network [OSTI]

candidate for use in water splitting, photo- catalysis, sensors, and dye-sensitized solar cells (DSSCs) overHierarchically Structured Microspheres for High-Efficiency Rutile TiO2Based Dye-Sensitized Solar and the Ostwald ripening process. Dye-sensitized solar cells (DSSCs) assembled by employing these complex rutile

Lin, Zhiqun


Low-temperature TiO2 Films for Dye-sensitized Solar Cells: Factors Affecting Energy Conversion Efficiency  

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Low-temperature TiO2 Films for Dye-sensitized Solar Cells: Factors Affecting Energy Conversion Efficiency ... The difference in short-circuit current is a factor of 2.2 with the Ru-based dye N719 and is 3.5 with the organic dye D5. ...

Alexander G. Agrios; Anders Hagfeldt



Three-dimensional morphology evolution of SiO2 patterned films under MeV ion irradiation  

E-Print Network [OSTI]

Three-dimensional morphology evolution of SiO2 patterned films under MeV ion irradiation Kan Otani Division of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138 Xi Chen Department of Civil Engineering and Engineering Mechanics, Columbia University, New York, New York 10027 John

Hutchinson, John W.


Performance study of commercial LiCoO2 and spinel-based Li-ion cells  

E-Print Network [OSTI]

Performance study of commercial LiCoO2 and spinel-based Li-ion cells P. Ramadass, Bala Haran, Ralph White, Branko N. Popov* Department of Chemical Engineering, University of South Carolina, Columbia, SC 29208, USA Received 20 April 2002; accepted 29 April 2002 Abstract The performance of Cell-Batt1 Li-ion

Popov, Branko N.


Optimisation of Accurate Rutile TiO2 (110), (100), (101) and (001) Surface Models from Periodic DFT Calculations  

E-Print Network [OSTI]

For years, the titanium dioxide, TiO2, has been widely used as a white pigment and opacifier. Its recent of pseudopotentials was studied and it appears that four valence electrons for titanium atoms are sufficient. The aim and inorganic molecules adsorption [14-21], have been also studied and the surface chemistry on this phase has

Paris-Sud XI, Université de


Role of Benzyl Alcohol in Controlling the Growth of TiO2 on Carbon Nanotubes David J. Cooke,*,  

E-Print Network [OSTI]

. Introduction Titanium dioxide (TiO2) is one of the most important transition-metal oxides with applications. First, the interface between graphene and BA, where we found that the adsorption layer is dominated interaction with the titanium sol.12,19 Such groups are commonly attached via covalent bonding upon

Elliott, James


Effect of thin Mo2C layer on thermal stability of Si/SiO2/Ti/Cu system  

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The effect of introducing a thin Mo2C (30 nm) layer between Ti and Cu on the thermal stability of Si/SiO2/Ti/Cu system was studied using four-point probe (FPP), scanning electron microscopy (SEM), energy-dispersi...

C. C. Tripathi; Mukesh Kumar; Dinesh Kumar



The deposition of nanocrystalline TiO2 thin film on silicon using Sol-Gel technique and its characterization  

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TiO"2 thin films were deposited using Sol-Gel spin coating technique using titanium isoperoxide as the Titania precursor. The films were characterized using X-ray diffraction, capacitance voltage measurement and Raman characterization technique. The ... Keywords: Sol-Gel, Spin coating, Titanium dioxide, X-ray diffraction

Mukesh Kumar; Mukesh Kumar; Dinesh Kumar



Removal of Xenon and Radon from Contaminated Atmospheres with Dioxygenyl Hexafluoroantimonate, O2SbF6  

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... process gas, and the excess fluorine must be removed afterwards. I have shown that radon, the heaviest noble gas, can be collected by oxidation with liquid bromine trifluoride and ... ). I report here further experiments with a dioxygenyl salt, O2SbF6, which reacts with radon and xenon at 25 C and which appears very promising as a reagent for removing ...




Comment on “Electron Source in Photoinduced Hydrogen Production on Pt-Supported TiO2 Particles”  

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Comment on “Electron Source in Photoinduced Hydrogen Production on Pt-Supported TiO2 Particles” ... We can suggest at least three more likely (than Ti4+) sources for their mysterious electron donor:? (1) an overlooked inorganic species, (2) Ti3+, and/or (3) organic impurities. ...

Craig L. Perkins; Michael A. Henderson; David E. McCready; Greg S. Herman



Technical-economic evaluation of O2/CO2 recycle combustion power plant based on life-cycle  

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In this study, a detailed technical-economic analysis on a O2/CO2 recycle combustion power plant (Oxy-combustion plant) retrofitted from the existing coal-fired plant (with a capacity of 2×300...2 emissions, inve...

Yun Wang; YongChun Zhao; JunYing Zhang…



TEM and HAADF-STEM study of a Au catalyst supported on a TiO2 nano-rod  

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......gas chromatography. Au/TiO2 nano-rod catalysts for TEM observation were supported on a copper mesh with a carbon micro-grid. TEM and HAADF-STEM observations were performed with a JEOL JEM-3000F electron microscope at an accelerating voltage......

Tomoki Akita; Koji Tanaka; Kayoko Okuma; Tsuguo Koyanagi; Masatake Haruta



Chemically grown TiO2 on glass with superior photocatalytic properties G. Kenanakis a,b,  

E-Print Network [OSTI]

suspensions or in small-scale purification systems, thus limiting their practical use due to difficulties of photocatalysis for various applications such as water treatment, air purification and fuel cells [1­5]. TiO2 techniques [8­10]. Since then, many large scale deposition techniques, such as doctor blade and spray coating


Role of hydrogen in Ge/HfO2/Al gate stacks subjected to negative bias temperature instability  

E-Print Network [OSTI]

Role of hydrogen in Ge/HfO2/Al gate stacks subjected to negative bias temperature instability N 2007; published online 17 January 2008 This work investigates the role of hydrogen and nitrogen in a Ge. Virtually unchanged interface state density as a function of NBTI indicates no atomic hydrogen release from

Misra, Durgamadhab "Durga"

Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Unusual Physical and Chemical Properties of Cu in Ce1-xCuxO2 Oxides  

SciTech Connect (OSTI)

The structural and electronic properties of Ce{sub 1-x}Cu{sub x}O{sub 2} nano systems prepared by a reverse microemulsion method were characterized with synchrotron-based X-ray diffraction, X-ray absorption spectroscopy, Raman spectroscopy, and density functional calculations. The Cu atoms embedded in ceria had an oxidation state higher than those of the cations in Cu{sub 2}O or CuO. The lattice of the Ce{sub 1-x}Cu{sub x}O{sub 2} systems still adopted a fluorite-type structure, but it was highly distorted with multiple cation-oxygen distances with respect to the single cation-oxygen bond distance seen in pure ceria. The doping of CeO{sub 2} with copper introduced a large strain into the oxide lattice and favored the formation of O vacancies, leading to a Ce{sub 1-x}Cu{sub x}O{sub 2-y} stoichiometry for our materials. Cu approached the planar geometry characteristic of Cu(II) oxides, but with a strongly perturbed local order. The chemical activities of the Ce{sub 1-x}Cu{sub x}O{sub 2} nanoparticles were tested using the reactions with H2 and O2 as probes. During the reduction in hydrogen, an induction time was observed and became shorter after raising the reaction temperature. The fraction of copper that could be reduced in the Ce{sub 1-x}Cu{sub x}O{sub 2} oxides also depended strongly on the reaction temperature. A comparison with data for the reduction of pure copper oxides indicated that the copper embedded in ceria was much more difficult to reduce. The reduction of the Ce{sub 1-x}Cu{sub x}O{sub 2} nanoparticles was rather reversible, without the generation of a significant amount of CuO or Cu{sub 2}O phases during reoxidation. This reversible process demonstrates the unusual structural and chemical properties of the Cu-doped ceria materials.

Wang,X.; Rodriguez, J.; Hanson, J.; Gamarra, D.; Martinez-Arias, A.; Fernandez-Garcia, M.



CO Oxidation on Aun/TiO2 Catalysts Produced by Size-Selected Cluster Sungsik Lee, Chaoyang Fan, Tianpin Wu, and Scott L. Anderson*  

E-Print Network [OSTI]

. Indeed, Fu et al.2 recently showed that activity for the water gas shift reaction on Au/CeO2 and Pt/CeO2 TiO2 in an ultrahigh vacuum (UHV-base pressure 1 Ã? 10-10 mbar). The kinetic energy spread of the Aun-8% of oxygen vacancies. (The XPS vacancy estimate was calibrated by a separate water dissociation experiment

Anderson, Scott L.


The effects of zirconia morphology on methanol synthesis from COand H2 over Cu/ZrO2 catalysts: Part I -- Steady-State Studies  

SciTech Connect (OSTI)

The effect of zirconia phase on the activity and selectivityof Cu/ZrO2 for the hydrogenation of CO has been investigated. Relativelypure t-ZrO2 and m-ZrO2 were prepared with high surface areas (~; 145m2/g). Copper was then deposited onto the surface of these materials byeither incipient-wetness impregnation or deposition-precipitation. For afixed Cu surface area, Cu/m-ZrO2 was tenfold more active for methanolsynthesis than Cu/t-ZrO2 from a feed of 3/1 H2/CO at 3.0 MPa andtemperatures between 473 and 523 K. Cu/m-ZrO2 also exhibited a higherselectivity to methanol. Increasing the Cu surface area on m-ZrO2resulted in further improvement in activity with minimal change inselectivity. Methanol productivity increased linearly for both Cu/t-ZrO2and Cu/m-ZrO2 with increasing Cu surface area. The difference in inherentactivity of each phase paralleled the stronger and larger CO adsorptioncapacity of the Cu/m-ZrO2 as quantified by CO-TPD. The higher COadsorption capacity of Cu/m-ZrO2 is attributed to the presence of a highconcentration of anionic vacancies on the surface of m-ZrO2. Suchvacancies expose cus-Zr4+ cations, which act as Lewis acid centers andenhance the Bronsted acidity of adjacent Zr-OH groups. The presence ofcus-Zr4+ sites and adjacent Bronsted acidic Zr-OH groups contributes tothe adsorption of CO as HCOO-Zr groups, which are the initial precursorsto methanol.

Rhodes, Michael J.; Bell, Alexis T.



Directional solidification and microstructural evolution between diopside and anorthite in the system CaO-MgO-Al2O3-SiO2  

Science Journals Connector (OSTI)

...gehlenite Geh{C2 AS CaO 41 2CaO.Al2 O3 .SiO2 Al2 O3 37 akermanite Ak{C2 MS2 CaO 41 2CaO.MgO.2SiO2 MgO 15 melilite Me...Wys & W. R. Foster on the system diopside{anorthite{akermanite. Bull. Earth Miner. Sci. Ex Sta. Pa. State Univ. 85...



A near-infrared photoluminescence study of GaAs nanocrystals in SiO2 films formed by sequential ion implantation  

E-Print Network [OSTI]

A near-infrared photoluminescence study of GaAs nanocrystals in SiO2 films formed by sequential ion GaAs nanocrystals are formed in SiO2 films and several PL bands appear in the red and near-infrared spectral region. Defects and impurities in GaAs nanocrystals and SiO2 cause weak luminescence in the near-infrared

Atwater, Harry


Comparison of bulk R2-zCezCuO4 with superlattice R2-zCezCuO4/SrO/NbO2/SrO/CuO2  

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Bulk R2-zCezCuO4 compounds superconduct for trivalent ions R=Pr, Nd, Sm, and Eu, but not for Gd or for Cm (with Th replacing Ce). R2-zCezSr2Cu2NbO10 is a natural superlattice of R2-zCezCuO4 and the layers SrO/NbO2/SrO/CuO2; it exhibits bulk superconductivity for R=Nd, Sm, Eu, and Gd, but not for R=Pr. These differences imply that the superconducting regions in the bulk and in the superlattice must be different, and not both cuprate planes. The primary superconductivity is assigned to interstitial oxygen and Nd-O layers in the bulk and to Sr-O layers in the superlattice.

Howard A. Blackstead and John D. Dow



Multicolor visible light upconversion emission in Tm3+–Er3+ codoped TeO2–PbO glass under near-infrared laser radiation  

Science Journals Connector (OSTI)

The multicolor intense visible emission from Er3+ and Tm3+ ions codoped in TeO2–PbO glass upon excitation at ?1064??nm...

Rai, Vineet Kumar; Mishra, Pankaj



In Situ Real-Time Diffuse Reflection Infrared Fourier Transform Spectroscopy (DRIFTS) Study of Hydrogen Adsorption and Desorption on Ir/SiO2 Catalyst  

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The adsorption and desorption of hydrogen on Ir/SiO2 catalyst were studied by using in situ diffuse reflection infrared Fourier transform spectroscopy (DRIFTS) combined with...

Hu, Gengshen; Zhu, Lin; Jia, Aiping; Hu, Xin; Xie, Guanqun; Lu, Jiqing; Luo, Mengfei



Kinetic Study of Vibrational Energy Transfer from a Wide Range of Vibrational Levels of O2(X3?g?, v = 6?12) to CF4  

Science Journals Connector (OSTI)

Efficient vibrational relaxation of O2(X 3?g-, ? = 8) by collisions with CF4 ... for vibrational relaxation of O2(X 3?g-, ? = 8) by collisions with CF4, [1.4 ± 0.3(2?)] × 10-11 cm3 mol.-1 s-1, indicates that CF4 is an efficient relaxant of O2(X 3?g-) and that the propensity rule for O2 relaxation suggested by Mack et al. (J. A. Mack, K. Mikulecky and A. M. Wodtke, J. Chem. ... The infrared fundamental intensities and polar tensor of CF4 ...

Shinji Watanabe; Hidekazu Fujii; Hiroshi Kohguchi; Takayuki Hatano; Ikuo Tokue; Katsuyoshi Yamasaki



Influence of ultraviolet light irradiation on corrosion behavior of weathering steel with and without TiO2-coating in 3 mass% NaCl solution  

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In this study the influence of ultraviolet (UV) light on the corrosion behavior of weathering steel with and without TiO2 coating has been investigated in 3% NaCl solution, using anodic polarization, dipping and dropping tests. In polarization tests a large negative shift of corrosion potential appeared for the TiO2-coated specimen in UV light. The weight loss of the steels with and without TiO2 film increased under UV light in the dipping test, while they decreased in the dropping test. The rust formed on the weathering steel showed a semiconductor like behavior, similar to that shown by TiO2 film.

Manal G. Mahmoud; Rongguang Wang; Masahiko Kato; Keijiro Nakasa



Preparation of electromagnetic reflective wool using nano-ZrO2/citric acid as inorganic/organic hybrid coating  

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Nano-ZrO2 particles were stabilized on wool surface using citric acid (CA) as a crosslinking agent and sodium hypophosphite (SHP) as a catalyst under UV irradiation. The influence of the amount of nano-ZrO2 on the performance of wool fiber was investigated by the use of Fourier transform infrared spectrophotometer (FTIR), horizontal flammability apparatus (HFA), scanning electron microscope (SEM), water contact angle tester (WCA), reflectance spectrophotometer (RS) and electromagnetic transition instrument (ETI). The possible interactions between nano-zirconia particles, cross-linking agent and wool free radicals were elucidated by the FTIR spectroscopy. Results indicated that the stabilized nano-zirconia enhances the flame retardancy and electromagnetic reflection of wool.

Mazeyar Parvinzadeh Gashti; Arash Almasian; Mahyar Parvinzadeh Gashti



Electronic Structure of TiO2/CH3NH3PbI3 Perovskite Solar Cell Interfaces  

Science Journals Connector (OSTI)

The last two decades, the research on different types of mesoscopic solar cells has grown enormously, largely because this family of solar cells can be controlled in many different ways and for their easy production. ... Recently, the use of soluble semiconductors such as organic–inorganic perovskites has shown great promise as light absorbers in solid-state mesoscopic solar cells. ... We report for the first time on a hole conductor-free mesoscopic methylammonium lead iodide (CH3NH3PbI3) perovskite/TiO2 heterojunction solar cell, produced by deposition of perovskite nanoparticles from a soln. of CH3NH3I and PbI2 in ?-butyrolactone on a 400 nm thick film of TiO2 (anatase) nanosheets exposing (001) facets. ...

Rebecka Lindblad; Dongqin Bi; Byung-wook Park; Johan Oscarsson; Mihaela Gorgoi; Hans Siegbahn; Michael Odelius; Erik M. J. Johansson; Håkan Rensmo



The role of vacancies, impurities and crystal structure in the magnetic properties of TiO2  

E-Print Network [OSTI]

We present an ab initio study of pure and doped TiO2 in the rutile and anatase phases. The main purpose of this work is to determine the role played by different defects and different crystal structures in the appearance of magnetic order. The calculations were performed for varying impurity and vacancy concentrations in both TiO2 structures. For Co impurities the local magnetic moment remained almost independent of the concentration and distribution while for Cu this is not the case, there is magnetism for low concentrations that disappears for the higher ones. Impurity-impurity interactions in both structures favor linear ordering of them. Magnetism in un-doped samples appears for certain vacancy concentrations and structural strain.

Mariana Weissmann; Leonardo A. Errico



Chemiluminescence and Ignition Delay Time Measurements of C9H20 Oxidation in O2-Ar Behind Reflected Shock Waves  

E-Print Network [OSTI]

CHEMILUMINESCENCE AND IGNITION DELAY TIME MEASUREMENTS OF C9H20 OXIDATION IN O2-Ar BEHIND REFLECTED SHOCK WAVES A Thesis by BRANDON MICHAEL ROTAVERA Submitted to the Office of Graduate Studies of Texas A&M University... WAVES A Thesis by BRANDON MICHAEL ROTAVERA Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE Approved by: Chair of Committee, Eric L...

Rotavera, Brandon



Vibrational properties of SrCu2O2 studied via DFT calculations and compared to Raman and infrared spectroscopy  

E-Print Network [OSTI]

materials are used for electrostatic shielding, antistatic screens, transparent heating devices, solar cells and even organic light emitting diodes [3, 4]. The vibrational properties of SrCu2O2 crystal are only.5%) and Sr(OH)2.8H2O for 40 h in a nitrogen flow at 950 °C. The reaction product was ground and hot pressed

Paris-Sud XI, Université de


Identification of the Active Species in Photochemical Hole Scavenging Reactions of Methanol on TiO2  

SciTech Connect (OSTI)

Molecular and dissociative methanol adsorption species were prepared on rutile TiO2(110) surfaces to study photocatalytic oxidation of methanol in ultrahigh vacuum (UHV) using temperature-programmed desorption (TPD). Adsorbed methoxy groups (CH3O-) were found to be the photoactive form of adsorbed methanol converted to adsorbed formaldehyde and a surface OH group by hole-mediated C-H bond cleavage. These results suggest that adsorbed methoxy is the effective hole scavenger in photochemical reactions involving methanol.

Shen, Mingmin; Henderson, Michael A.



Comparison of hydrophilic properties of TiO2 thin films prepared by solgel method and reactive magnetron sputtering system  

E-Print Network [OSTI]

magnetron sputtering system S.-H. Nam a, , S.-J. Cho a , C.-K. Jung a , J.-H. Boo a, , J. Sícha b , D. Heman substoichiometric TiO2 - x targets of 50 mm in diameter. Dual magnetron supplied by dc bipolar pulsed power source of hazardous volatile organic compounds (VOC), the removal of endocrine disrupters, the recovery of heavy metal

Boo, Jin-Hyo


Au/MxOy/TiO2 catalysts for CO oxidation: promotional effect of main-group, transition, and rare-earth metal oxide additives.  

SciTech Connect (OSTI)

Au/TiO2 catalysts are active for CO oxidation, but they suffer from high-temperature sintering of the gold particles, and few attempts have been made to promote or stabilize Au/TiO2. Our recent communication addressed these issues by loading gold onto Al2O3/TiO2 prepared via surface-sol-gel processing of Al(sec-OC4H9)3 on TiO2. In our current full paper, Au/Al2O3/TiO2 catalysts were prepared alternatively by thermal decomposition of Al(NO3)3 on TiO2 followed by loading gold, and the influences of the decomposition temperature and Al2O3 content were systematically surveyed. This facile method was subsequently extended to the preparation of a battery of metal oxide-modified Au/TiO2 catalysts virtually not reported. It was found that Au/TiO2 modified by CaO, NiO, ZnO, Ga2O3, Y2O3, ZrO2, La2O3, Pr2O3, Nd2O3, Sm2O3, Eu2O3, Gd2O3, Dy2O3, Ho2O3, Er2O3, or Yb2O3 could retain significant activity at ambient temperature even after aging in O2-He at 500 C, whereas unmodified Au/TiO2 lost its activity. Moreover, some 200 C-calcined promoted catalysts showed high activity even at about -100 C. The deactivation and regeneration of some of these new catalysts were studied. This work furnished novel catalysts for further fundamental and applied research.

Ma, Zhen [ORNL; Overbury, Steven {Steve} H [ORNL; Dai, Sheng [ORNL



Effect of excess lithium on LiNi0.5Mn0.5O2+? and its electrochemistry as lithium insertion material  

Science Journals Connector (OSTI)

Layered Li–Ni–Mn–O compounds were successfully synthesized by an emulsion drying method, in which the emulsion makes it possible to intermix cations in atomic scale and therefore leads to homogeneous and fine oxide products. The as-synthesized powders were crystallized into a well-ordered ?-NaFeO2 (R3? m) structure. The calculated lattice parameters varied by changing the lithium amounts. The lattice parameters of Li1.13Ni0.5Mn0.5O2+z showed smaller a- and c-axes comparing to those of the LiNi0.5Mn0.5O2, whereas the c/a ratio remained constant for Li1+xNi0.5Mn0.5O2+z (0?x?0.13) compounds. Comparing to LiNi0.5Mn0.5O2 and Li1+xNi0.5Mn0.5O2+z electrodes, the delivered capacity for the Li1.13Ni0.5Mn0.5O2+z was much higher that that of the LiNi0.5Mn0.5O2. The lithium excess Li1+xNi0.5Mn0.5O2+z sample exhibited very stable cyclability with high capacity of about 175 mA h (g oxide)?1 after the 50th cycle at 25 °C (I=20 mA g?1) and 50 °C (75.5 mA g?1), which indicates that structural stability of the lithium excess Li1+xNi0.5Mn0.5O2+z is superior to that of the stoichiometric LiNi0.5Mn0.5O2.

Seung-Taek Myung; Shinichi Komaba; Naoaki Kumagai



Superconductivity in LiFeO2Fe2Se2 with anti-PbO-type spacer layers  

Science Journals Connector (OSTI)

We report on a superconductor LiFeO2Fe2Se2 with Tc?43 K, synthesized via the hydrothermal method. The anti-PbO-type spacer layer of LiFeO2 has been successfully intercalated between the anti-PbO-type FeSe layer, which results in a high-Tc superconductivity in this iron selenide material. In this material, the LiFeO2 layer is electrically neutral and does not act as an electron donor, which is remarkably different from other heavily electron-doped intercalated FeSe-derived superconductors. Based on our results and previous reports on FeSe-based superconductors, we figure out a V-shaped anion height from the Fe layer dependence of Tc in the FeSe-derived superconductors, which is in contrast to the inverse V-shaped one for the FeAs-based superconductors. Our studies expand the categories of the iron-based superconductors and open a door in the quest for potential superconductors with various spacer layers, which is helpful for the study of the underlying physics in iron-based high-Tc superconductors.

X. F. Lu; N. Z. Wang; G. H. Zhang; X. G. Luo; Z. M. Ma; B. Lei; F. Q. Huang; X. H. Chen


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A VUV photoionization measurement and ab-initio calculation of the ionization energy of gas phase SiO2  

SciTech Connect (OSTI)

In this work we report on the detection and vacuum-ultraviolet (VUV) photoionization of gas phase SiO2 generated in situ via laser ablation of silicon in a CO2 molecular beam. The resulting species are investigated by single photon ionization with tunable VUV synchrotron radiation and mass analyzed using reflectron mass spectrometry. Photoionization efficiency (PIE) curves are recorded for SiO and SiO2 and ionization energy estimates are revealed from such measurements. A state-to-state ionizationenergy of 12.60 (+-0.05) eV is recorded by fitting two prominent peaks in the PIE curve for the following process: 1SUM O-Si-O --> 2PRODg [O-Si-O]+. Electronic structure calculations aid in the interpretation of the photoionization process and allow for identification of the symmetric stretch of 2PRODg [O-Si-O]+ which is observed in the PIE spectrum to be 0.11 eV (890 cm-1) above the ground state of the cation and agrees with the 892 cm-1 symmetric stretch frequency calculated at the CCSD(T)/aug-cc-pVTZ level.

Kostko, Oleg; Ahmed, Musahid; Metz, Ricardo B.



Optimization of nano TiO2 pretreatment on free acid dyeing of wool using central composite design  

Science Journals Connector (OSTI)

Abstract The aim of the research is to investigate nano technique of wool acid dyeing without the presence of acid auxiliary agent at temperatures lower than the boiling. The wool fabrics are first pretreated with nano TiO2 and BTCA at different concentrations. The dyeing process is then carried out on the pretreated fabrics with C. I. Acid Blue 113 and C. I. Acid Black 3 dyes. Also, the central composite design analysis is applied to design the relation between nano TiO2 and BTCA concentrations, and dye exhaustion. The response surface methodology is also applied to find the optimum conditions for the wool fabric pretreatment. The scanning electron microscopy and X-ray diffraction are employed to indicate the presence, crystal type and size of TiO2 nanoparticles on the wool surface. The pretreatment optimization on the wool surfaces considerably enhances the absorption of acid dyes. The suggested method demonstrates the improvement of fastness properties than control dyeing and could be introduced as a new route, disclosing various desirable multi-functional characteristics, to wool fabric. This technique is also free from some of the disadvantages of acid chemical involved in dyeing such as damage to wool fabrics than wool conventional dyeing.

Ali Nazari; Mohammad Mirjalili; Navid Nasirizadeh; Shahab Torabian



Sonosynthesis of nano TiO2 on wool using titanium isopropoxide or butoxide in acidic media producing multifunctional fabric  

Science Journals Connector (OSTI)

Abstract This study presents a novel idea to prepare nanocrystalline structure of TiO2 under ambient pressure at 60–65 °C using in situ sonochemical synthesis by hydrolysis of either titanium isopropoxide or titanium butoxide in an acidic aqueous solution. The nano titanium dioxide coated wool fabrics possess significant antibacterial/antifungal activity and self-cleaning property by discoloring Methylene blue stain under sunlight irradiation. This process has no negative effect on cytotoxicity and tensile strength of the sonotreated fabric even reduces alkaline solubility and photoyellowing and improves hydrophilicity. More titanium isopropoxide or titanium butoxide as a precursor led to higher photocatalytic activities of the treated fabrics. Also introducing more ethanol improved the adsorption of TiO2 on the wool fabric surface leading to enhanced photocatalytic activity. EDS and XRD patterns, SEM images, X-ray mapping confirmed the presence of nano TiO2 particles on the fabric surface. The role of both solvent and precursor concentrations on the various properties of the fabric was investigated and the optimized conditions were obtained using response surface methodology.

Amir Behzadnia; Majid Montazer; Abousaeid Rashidi; Mahnaz Mahmoudi Rad



Investigation of phase transitions for the hydrothermal formation of TiO2 in the presence of F? ions  

Science Journals Connector (OSTI)

The hydrothermal phase transition of ammonium titanate into TiO2 in aqueous ammonia media was investigated in the presence of F? ions by adding various kinds of electrolytes such as NaCl, NH4Cl, NaF, and NH4F. The phase composition and the morphologies of the products were examined by X-ray diffraction (XRD) and scanning electron microscopy (SEM). With the assistance of F? ions, pure brookite TiO2 can be hydrothermally prepared with a wide range of Na+ ion concentrations from 0.25 M to 1.5 M in just 24 h, which has obvious advantages over the previous NaCl scheme [1,2]. Moreover, photocatalytic degradation of MO shows that both anatase and brookite prepared in the presence of F? ions show superior photocatalytic activities than those prepared in the absence of F? ions. The phase transition mechanism from ammonium titanate into TiO2 was also proposed. Besides the introduction of Na+ ions that benefits the phase transition from titanate to brookite, F? ions are suggested to play two key roles during the hydrothermal process: catalyzing the condensation reaction of TiOH to produce TiOTi linkages by forming TiF and regulating the intercalation and the de-intercalation of Na+ ions by counteracting the electrostatic interaction between the Na+ ions and the titanate layers.

Hongyun Yang; Feng Chen; Yanchao Jiao; Jinlong Zhang



Scalable High-Power Redox Capacitors with Aligned Nanoforests of Crystalline MnO2 Nanorods by High Voltage Electrophoretic Deposition  

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Scalable High-Power Redox Capacitors with Aligned Nanoforests of Crystalline MnO2 Nanorods by High Voltage Electrophoretic Deposition ... The scalable nanomanufacturing process is demonstrated by roll-printing an aligned forest of ?-MnO2 nanorods on a large flexible substrate (1 inch by 1 foot). ...

Sunand Santhanagopalan; Anirudh Balram; Dennis Desheng Meng



Charge transfer from TiO2 into adsorbed benzene diazonium compounds Tel-Aviv University, School of Electrical Engineering, Ramat-Aviv 69978, Israel  

E-Print Network [OSTI]

Charge transfer from TiO2 into adsorbed benzene diazonium compounds A. Merson Tel-Aviv University (Received 24 February 2004; accepted 8 June 2004) Electron transfer from sol­gel­prepared TiO2 into adsorbed are stably adsorbed. The potential of maximum current Upeak depends strongly on the diazonium salt. Upeak

Shapira, Yoram


Magnetic phase diagram of the S=1/2 triangular layered compound NaNiO2: a single crystal study  

E-Print Network [OSTI]

Magnetic phase diagram of the S=1/2 triangular layered compound NaNiO2: a single crystal study S de Magnetic Field Laboratory, CNRS, BP166, F-38042 Grenoble cedex 9, France Abstract. Using magnetic torque measurement on a NaNiO2 single crystal, we have established the magnetic phase diagram of this triangular

Boyer, Edmond


Activation of Au/TiO2 Catalyst for CO Oxidation Jeff H. Yang, Juan D. Henao, Mpfunzeni C. Raphulu, Yingmin Wang, Tiziana Caputo,|  

E-Print Network [OSTI]

Activation of Au/TiO2 Catalyst for CO Oxidation Jeff H. Yang, Juan D. Henao, Mpfunzeni C. Raphulu; In Final Form: March 29, 2005 Changes in a Au/TiO2 catalyst during the activation process from an as and FTIR spectroscopy, complemented with XPS, microcalorimetry, and TEM characterization. When the catalyst

Marks, Laurence D.


Resist trimming technique in CF4/O2 high-density plasmas for sub-0.1 µm MOSFET fabrication using 248-nm lithography  

Science Journals Connector (OSTI)

Resist trimming process using CF4/O2 has been developed for sub-0.1 µm polysilicon gate patterning using conventional 248-nm lithography. This process allows the successful fabrication of 80-nm MOS devices. The trimming step ... Keywords: 248-nm lithography, CF4/O2, critical dimension (CD), polycrystalline silicon (polysilicon), polysilicon gate, resist trimming

Chian-Yuh Sin; Bing-Hung Chen; W. L. Loh; J. Yu; P. Yelehanka; L. Chan



Efficient Photoinduced Charge Injection from Chemical Bath Deposited CdS into Mesoporous TiO2 Probed with Time-Resolved Microwave Conductivity  

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We use the contactless time-resolved microwave conductivity (TRMC) technique to investigate the photoconductance of CdS-coated mesoporous TiO2 and ZrO2. The CdS domains were grown directly on the surface of the oxide by a chemical bath deposition method. ...

Jorge Piris; Andrew J. Ferguson; Jeff L. Blackburn; Andrew G. Norman; Garry Rumbles; Don C. Selmarten; Nikos Kopidakis



Statistical evaluation of potential damage to the Al(OH)3 layer on nTiO2 particles in the presence of swimming pool and seawater  

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Nanosized TiO2 particles (nTiO2) are usually coated with an Al(OH)3 layer when used in sunscreen to shield against the harmful effects of free radicals that are generated when these particles are exposed to UV r...

Jurate Virkutyte; Souhail R. Al-Abed



ZnO-TiO2 Core-Shell Nanorod/P3HT Solar Cells Lori E. Greene, Matt Law, Benjamin D. Yuhas, and Peidong Yang*  

E-Print Network [OSTI]

diffusion bottleneck, has been addressed in organic and organic-inorganic hybrid solar cells by adoptingZnO-TiO2 Core-Shell Nanorod/P3HT Solar Cells Lori E. Greene, Matt Law, Benjamin D. Yuhas-inorganic solar cell architecture based on ZnO-TiO2 core-shell nanorod arrays encased in the hole

Yang, Peidong


An Unconventional Route to High-Efficiency Dye-Sensitized Solar Cells via Embedding Graphitic Thin Films into TiO2 Nanoparticle  

E-Print Network [OSTI]

and impedance spectroscopy. KEYWORDS: Carbon/TiO2 thin film, dye-sensitized solar cells, block copolymer-treated single-wall carbon nanotubes (a-SWCNs) in TiO2 film.37 The a-SWCNs modified solar cell indicated a 25An Unconventional Route to High-Efficiency Dye-Sensitized Solar Cells via Embedding Graphitic Thin

Lin, Zhiqun


Analyses of interface adhesion between porous SiO2 low-k film and SiC/SiN layers by nanoindentation and nanoscratch tests  

Science Journals Connector (OSTI)

In this study, the interface adhesion between porous SiO"2 low-dielectric-constant film and SiN capping layer as well as SiC etch stop layer has been investigated. The SiN capping layer was found mostly composed of Si to N bonds, and the porous SiO"2 ... Keywords: Bonding configuration, Dielectrics, Interface adhesion

Shou-Yi Chang; Yi-Chung Huang



Study of Interfacial Charge-Transfer Complex on TiO2 Particles in Aqueous Suspension by Second-Harmonic Generation  

E-Print Network [OSTI]

/mol. 1. Introduction Titanium dioxide (TiO2) is a wide band-gap semiconductor having two common crystal, the adsorption isotherm of catechol on the colloidal TiO2 suspension was obtained and gave an excellent fit to the Langmuir adsorption model. From this, we infer the free energy of the adsorption to be G° ) -6.8 kcal

Eisenthal, Kenneth B.


Structure and dynamics of liquid water on rutile TiO2(110) Li-Min Liu, Changjun Zhang, Geoff Thornton, and Angelos Michaelides  

E-Print Network [OSTI]

those between water and titanium dioxide TiO2 . Water-TiO2 interfaces are relevant to photocatalysis on which adsorption state the water molecules are in at the interface: dissociated or molecular? Many, density-functional theory DFT studies predict either molecular or dissociative adsorption on the perfect

Alavi, Ali


Effect of nano-ZrO2 on microstructure and thermal shock behaviour of Al2O3/SiC composite ceramics used in solar thermal power  

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The Al2O3-ZrO2(3Y)-SiC composite ceramics used in solar thermal power were prepared by micrometric Al2O3, nano-ZrO2 and SiC powders under the condition of pressureless sintering. The bulk density and bending stre...

Xiaohong Xu ???; Guohao Jiao; Jianfeng Wu…



RETRACTED ARTICLE: Effect of Gd2O3 over Ni/SiO2 on syngas production via methane autothermal reforming  

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Gd2O3-promoted Ni/SiO2 catalysts exhibited higher activity and selectivity than Ni/SiO2 in methane autothermal reforming. The results of the temperature-programmed surface reaction of CH4 indicated that Gd2O3 mig...

Jian-Zhong Guo; Zhao-Yin Hou…



BiOI nanosheets decorated TiO2 nanofiber: Tailoring water purification performance of photocatalyst in structural and photo-responsivity aspects  

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Abstract Microscopic structure and photo-responsive characters are two important facets that dominate the synthetic performance of photocatalysts in environment remediation. In the present investigation, we report the simultaneous tailoring of these two facets toward improving the water purification performance of TiO2 based photocatalyst. Electrospinning-derived TiO2 nanofibers were decorated with the visible-light responsive BiOI nanosheets via a simple hydrothermal reaction approach, constructing heterostructured composite fibers. The obtained hierarchical TiO2@BiOI fibers demonstrated improved reactivity toward decomposition of Rhodamine B in the visible-light range over the pristine TiO2 nanofibers, meanwhile possessed high recycling convenience. The mechanism for advancement of the photocatalytic reactivity of the TiO2@BiOI fibers was elucidated by analyzing the results of photoluminescence and transient photocurrent response.

Chenxing Liao; Zhijun Ma; Guoping Dong; Jianrong Qiu



Preparation of core–shell Fe3O4/SiO2 microspheres as adsorbents for purification of DNA  

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Nearly monodisperse core–shell Fe3O4/SiO2 microspheres have been prepared via a glycol reduction method followed by a modified Stöber process. The thickness of the silica shells can be tuned in the range 33–53?nm by varying the amount of tetraethyl silicate (TEOS) during syntheses. The magnetic composite microspheres were characterized with XRD, XPS, FTIR, TEM, ICP–OES and VSM, and further tested as adsorbents for purification of plasmid DNA from Escherichia coli DH5? cells. The magnetic purification of plasmid DNA leads to satisfying integrity, yield and purity in comparison with those isolated by the traditional phenol–chloroform extraction.

Ligang Gai; Zhili Li; Yunhua Hou; Haihui Jiang; Xiaoyun Han; Wanyong Ma


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PET exam A 424304 20-032013 Short answers 111. Ex = Ex (O2) + Ex(N2) + Ex (unmix)  

E-Print Network [OSTI]

,7 = 3018,0 kJ/mol L Ex mix gases = 6*R*T*ln (½) = -10,1 kJ/mol L losses = 998,0 + 2678,9 ­ 3018,0 + 10. outsideoutside outside outside glass window outside outside outside window inside A R FA R A R Eb R J R J R Eb 11) · (h - T·s) = (O2) ·(cp· T - T·cp·ln(T/T) + R·T·cp·ln(p/p) ) ---------- T effect ----- ---- p effect

Zevenhoven, Ron


Highly Efficient Dye-Sensitized Solar Cells by Using a Mesostructured Anatase TiO2 Electrode with High Dye Loading Capacity  

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Highly Efficient Dye-Sensitized Solar Cells by Using a Mesostructured Anatase TiO2 Electrode with High Dye Loading Capacity ... The growth and assembly of TiO2 nanostructures with enhanced charge transfer and light harvesting have attracted much attention for fabricating highly efficient dye-sensitized solar cells. ... The photovoltaic measurements indicate that the mesoporous TiO2 layer enhances the dye loading capacity, the electron transfer efficiency, and the photocurrent of the cell, contributing to the significant improvement of the energy conversion efficiency of the dye-sensitized solar cells. ...

Wei Shao; Feng Gu; Chunzhong Li; Mengkai Lu



Electronic and optical properties of Cr and Cr–N doped anatase TiO2 from screened Coulomb hybrid calculations  

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We studied the electronic and atomic structures of anatase TiO2 codoped with Cr and N using hybrid density functional theory calculations. The nonlocal screened Hartree–Fock exchange energy is partially mixed with the traditional semilocal exchange energy. This not only patches the bandgap underestimation but also improves the description of the anion/cation-driven impurity states and the magnetization of the dopants. Cr and/or N doping modifies the valence and conduction band edges of TiO2, leading to significant bandgap reduction. Hence, Cr, N and Cr–N doped TiO2 are promising for enhanced visible light absorbance.

Veysel Çelik; Ersen Mete



Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description  

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We have investigated the suitability of Time-Dependent Density Functional Theory (TD-DFT) to describe vertical low-energy excitations in naked and hydrated titanium dioxide nanoparticles through a comparison with results from Equation-of-Motion Coupled Cluster (EOM-CC) quantum chemistry methods. We demonstrate that for most TiO2 nanoparticles TD-DFT calculations with commonly used exchange-correlation (XC-)potentials (e.g. B3LYP) and EOM-CC methods give qualitatively similar results. Importantly, however, we also show that for an important subset of structures, TD-DFT gives qualitatively different results depending upon the XC-potential used and that in this case only TD-CAM-B3LYP and TD-BHLYP calculations yield results that are consistent with those obtained using EOM-CC theory. Moreover, we demonstrate that the discrepancies for such structures arise from a particular combination of defects, excitations involving which are charge-transfer excitations and hence are poorly described by XC-potentials that contain no or low fractions of Hartree-Fock like exchange. Finally, we discuss that such defects are readily healed in the presence of ubiquitously present water and that as a result the description of vertical low-energy excitations for hydrated TiO2 nanoparticles is hence non-problematic.

Berardo, Enrico; Hu, Hanshi; Shevlin, S. A.; Woodley, Scott M.; Kowalski, Karol; Zwijnenburg, Martijn A.



Enhanced power conversion efficiency of dye-sensitized solar cells with multifunctional photoanodes based on a three-dimensional TiO2 nanohelix array  

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Abstract Developments of metal oxide nanostructures for simultaneous improvements in light harvesting and charge collection can lead to a significant technical progress in various applications such as photoelectrodes for photoelectrochemical cells and various types of solar cells. Here we present an array of three-dimensional titanium dioxide (TiO2) nanohelixes infiltrated with TiO2 nanoparticles as a multifunctional photoanode for dye sensitized solar cells (DSSCs). The unique geometry and the near-single crystallinity of the vertically aligned TiO2 nanohelix array results simultaneously in strong light scattering and enhanced carrier transport and collection, while maintaining a comparable surface area accessible for dye molecules by the infiltrated TiO2 nanoparticles. Consequently, despite a ~40% reduction in dye loading, the overall photon conversion efficiency of the DSSC with the nanoparticle-infiltrated nanohelix-array photoanode is enhanced by 6.2% in comparison with the DSSC with the conventional nanoparticle photoanode.

Seung Hee Lee; Jeong Kwon; Dong Yeong Kim; Kyung Song; Sang Ho Oh; Jaehee Cho; E. Fred Schubert; Jong Hyeok Park; Jong Kyu Kim



Hierarchical 3D dendritic TiO2 nanospheres building with ultralong 1D nanoribbon/wires for high performance concurrent photocatalytic membrane water purification  

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Abstract Hierarchical 3D dendritic TiO2 nanospheres building with ultralong 1D TiO2 nanoribbon/wires were hydrothermally synthesized via controlling the hydrolysis rate of precursor by EG. It is found that the EG and Cl? in the precursor solution are the dominant factors in controlling the hydrolysis rate of Ti4+ from TTIP, and the growing direction of 1D TiO2, respectively. Through optimizing the molar ratio of TTIP:EG, hierarchical 3D dendritic TiO2 nanospheres building with long 1D nanoribbons (TiO2 nanoribbon spheres) were synthesized at a molar ratio of TTIP:EG = 1:2. And hierarchical 3D dendritic TiO2 nanospheres building with even longer and thinner 1D TiO2 nanowires (TiO2 nanowire spheres) were synthesized via further reducing the hydrolysis rate of Ti4+ by increasing the content of EG at a molar ratio of TTIP:EG = 1:3. The hierarchical 3D dendritic TiO2 nanoribbon/wire spheres were well characterized by a variety of techniques such as FESEM, TEM, XRD, N2 adsorption/desorption, UV–vis spectra, etc. A “win–win” strategy was developed to integrate the hierarchical TiO2 nanoribbon/wire spheres and membrane for high performance photocatalytic membrane water purification through maximizing the advantages of TiO2 photocatalysis and membrane, while minimizing their disadvantages. Hierarchical TiO2 nanoribbon/wire spheres exhibited high performance for water purification in terms of high flux, low fouling, high removal rate of pollutants, and long lifespan of membrane, both in concurrent dead end and cross flow membrane system. The rationale behind this phenomenon lies in that the hierarchical TiO2 nanoribbon/wire spheres in the concurrent system possess the advantages of mitigating the membrane fouling via photocatalytic degrading the organic pollutants relying on their high photocatalytic activities; and keeping high water flux owing to the porous functional layer favorable for water pass through. The experimental results demonstrated that the hierarchical TiO2 nanoribbon/wire spheres have better photodegradation ability of AO 7 and RhB pollutants so as to result in higher ability in mitigating fouling, and keep higher flux than TiO2 P25 under the same conditions. It is believable that this study is of great significances both in synthesizing hierarchical 3D dendritic TiO2 nanospheres building with ultralong 1D nanoribbon/wires, and in providing a “win–win” strategy for high performance concurrent photocatalytic membrane water purification featured as high flux, high removal rate of pollutants, low fouling and long membrane lifespan.

Hongwei Bai; Lei Liu; Zhaoyang Liu; Darren Delai Sun



Fretting Wear Study on Micro-Arc Oxidation TiO2 Coating on TC4 Titanium Alloys in Simulated Body Fluid  

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Tribological properties of TiO2 coatings synthesized by micro-arc oxidation (MAO) on the surface of TC4...2 coatings presented good tribological properties with lower friction coefficient in SBF. Less wear volume...

Guanghong Zhou; Hongyan Ding; Yue Zhang; Aihui Liu; Yuebin Lin…



Quantification of energy transfer processes in LiLa9(SiO4)6O2:Er3+/Yb3+ under selective Er3+ excitation  

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The energy transfer mechanisms between Er3+ and Yb3+ ions have been investigated in LiLa9(SiO4)6O2 under selective...

Marin-Dobrincic, Martina; García-Sevillano, Jorge; Bettinelli, Marco; Piccinelli, Fabio; Cantelar, Eugenio; Cussó, Fernando



Moving Boundary Model for the Discharge of a LiCoO2 Qi Zhang and Ralph E. White*,z  

E-Print Network [OSTI]

in the LiCoO2 particles has a significant effect on the flux distribution by changing the solid phase. In addition, their model does not quantitatively establish the current and potential relation- ship of a Li


Etching Efficiency for Si and SiO2 by CF+x, F+, and C+ Ion Beams Extracted from CF4 Plasmas  

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Fluorocarbon (CF+ x), fluorine (F+), and carbon (C+) ion beams with highcurrent density (50O2surfaces to investigate the influence of the ion species on...

T. Yamaguchi; K. Sasaki; K. Kadota



MWCNT-based Ag2S-TiO2 nanocomposites photocatalyst: ultrasound-assisted synthesis, characterization, and enhanced catalytic efficiency  

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Multiwalled carbon nanotube based nanoscale Ag2S and TiO2 composites have successfully synthesized via a facile ultrasoundassisted method. The nanocomposites were characterized by Fourier transform infrared (FT-IR) spectroscopy, ...

Lei Zhu; Ze-Da Meng; Won-Chun Oh



Effect of Addition of Halloysite Nanoclay and SiO2 Nanoparticles on Barrier and Mechanical Properties of Bovine Gelatin Films  

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Casting method was used to prepare bovine gelatin based bio-nanocomposite films with halloysite nanoclay and nano-SiO2...as the reinforcing materials. The composition included gelatin with 20% (w/w) of glycerol (...

Han Ching Voon; Rajeev Bhat; Azhar Mat Easa; M. T. Liong…



Synergistic effect of nanoTiO2 and nanoclay on mechanical, flame retardancy, UV stability, and antibacterial properties of wood polymer composites  

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Wood–polymer nanocomposite (WPNC) based on styrene–acrylonitrile copolymer (SAN), ?-trimethoxy silyl propyl methacrylate-modified TiO2 nanoparticles, and nanoclay was prepared by impregnation. The flexural,...2 (...

Rashmi R. Devi; Krishna Gogoi; Bolin K. Konwar; Tarun K. Maji



Organic solvent based TiO2 dispersion paste for dye-sensitized solar cells prepared by industrial production level procedure  

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In order to prepare the TiO2...liquid dispersions for the electrodes of dye-sensitized solar cells with industrial mass production level at a reasonable cost, the present...2 liquid dispersions by a general indus...

Ryohei Mori; Tsutomu Ueta; Kazuo Sakai; Yasuhiro Niida…



Graphene-supported SnO2 nanoparticles prepared by a solvothermal approach for an enhanced electrochemical performance in lithium-ion batteries  

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SnO2 nanoparticles were dispersed on graphene nanosheets through a solvothermal approach using ethylene...2 nanoparticles on graphene nanosheets has been confirmed by scanning electron...2 was determined to be ar...

Bei Wang; Dawei Su; Jinsoo Park; Hyojun Ahn; Guoxiu Wang



Process development of a novel arc spray nanoparticle synthesis system (ASNSS) for preparation of a TiO 2 nanoparticle suspension  

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This article presents the development of an innovative technology to manufacture TiO2...nanoparticles. Manufacturing nanoparticles is considered as a crucial step towards product and process innovation. In our pr...

Tsing-Tshih Tsung; Ho Chang; Liang-Chia Chen…



Embrittlement of Zircaloy-2 on exposure to ThO2–UO2 and simulated high burn-up fuel (SIMFUEL) powders at 1200 °C  

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In order to assess the changes in mechanical properties of Zircaloy cladding at extreme conditions, tensile testing and hardness measurements were carried out on Zircaloy-2 specimens that were annealed with ThO2–...

R. K. Bhagat; T. R. G. Kutty; Arun Kumar; Srikumar Banerjee



Role of ethanol in sodalite crystallization in an ethanolNa2OAl2O3SiO2 Yi Huang,ab  

E-Print Network [OSTI]

Role of ethanol in sodalite crystallization in an ethanol­Na2O­Al2O3­SiO2­ H2O system Yi Huang 2011 DOI: 10.1039/c1ce05194f Crystallization of sodalite was studied in an ethanol­Na2O­Al2O3­SiO2­H2O system. The addition of ethanol was observed to significantly affect the crystallization process

Rubloff, Gary W.


Pt4ZrO2/C cathode catalyst for improved durability in high temperature PEMFC based on H3PO4 doped PBI  

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In this paper, Pt4ZrO2/C was prepared and compared with commercial Pt/C (46.6 wt.% TKK) in terms of the durability as cathode catalyst in a high temperature proton exchange membrane fuel cell (PEMFC) based on H3PO4 doped polybenzimidazole (PBI) by a potential sweep test. The catalysts before and after the potential sweep test were characterized by rotating disk electrode (RDE), X-ray diffraction (XRD), transmission electron microscopy (TEM) and inductively coupled plasma-atomic emission spectroscopy (ICP-AES). After 3000 cycles potential sweep test, the overall performance loss of the Pt4ZrO2/C membrane electrode assembly (MEA) was less than that of the Pt/C MEA. The RDE results demonstrated that the oxygen reduction reaction (ORR) activity of the as-prepared Pt4ZrO2/C is nearly the same as TKK-Pt/C. The XRD and TEM results showed that Pt4ZrO2/C catalyst presented higher sintering resistance than commercial Pt/C catalyst during the potential sweep test. This may be attributed to the addition of ZrO2, which acts an anchor to inhibit the adjacent platinum particles to agglomerate. The ICP-AES results of Pt4ZrO2/C cathode catalyst before and after the potential sweep test showed that the composition of Pt and Zr were very near the nominal atomic ratio of Pt:Zr, which reflected that Pt4ZrO2/C catalyst had a good stability during the potential sweep test. In brief, the preliminary results indicate that Pt4ZrO2/C catalyst is a good candidate of Pt/C catalyst in high temperature PEMFC based on H3PO4 doped PBI for achieving longer cell life-time and higher cell performance.

Gang Liu; Huamin Zhang; Yunfeng Zhai; Yu Zhang; Dongyan Xu; Zhi-gang Shao



Thiolate ligands as a double-edged sword for CO oxidation on CeO2-supported Au25(SR)18 nanoclusters  

SciTech Connect (OSTI)

The effect of thiolate ligands was explored on the catalysis of CeO2-rod supported Au25(SR)18 (SR = -SCH2-CH2-Ph) by using CO oxidation as a probe reaction. Reaction kinetic tests, in situ IR and X-ray absorption spectroscopy, and density functional theory (DFT) were employed to understand how the thiolate ligands affect the nature of active sites, activation of CO and O2, as well as the reaction mechanism and kinetics. The intact Au25(SR)18 on CeO2-rod is found not able to adsorb CO. Only when the thiolate ligands are partially removed, starting from the interface between Au25(SR)18 and CeO2 at temperatures of 423 K and above, can the adsorption of CO be observed by IR. DFT calculations suggest that CO adsorbs favorably on the exposed gold atoms. Accordingly, the CO oxidation light-off temperature shifts to lower temperature. Several types of Au sites are probed by IR of CO adsorption during the ligand removal process. The cationic Au sites (charged between 0 and +1) are found to play the major role for low temperature CO oxidation. Similar activation energy and reaction rate are found for CO oxidation on differently treated Au25(SR)18/CeO2-rod, suggesting a simple site-blocking effect of the thiolate ligands in Au nanoclusters catalysis. Isotopic labelling experiments clearly indicate that CO oxidation on Au25(SR)18/CeO2-rod proceeds predominantly via the redox mechanism where CeO2 activates O2 while CO is activated on the de-thiolated gold sites. These results points to a double-edged sword role played by the thiolate ligands on Au25 nanoclusters for CO oxidation.

Wu, Zili [ORNL; Jiang, Deen [ORNL; Mann, Amanda K [ORNL; Mullins, David R [ORNL; Qiao, Zhen-an [University of Tennessee, Knoxville (UTK); Allard Jr, Lawrence Frederick [ORNL; Zeng, Chenjie [Carnegie Mellon University (CMU); Jin, Rongchao [Carnegie Mellon University (CMU); Overbury, Steven {Steve} H [ORNL


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Conduction and charge storage in Cr-thin SiO2-pSi structures J. Capilla and G. Sarrabayrouse  

E-Print Network [OSTI]

niveau d'injection. De plus, le phénomène de claquage observé à haut niveau d'injection est associé à unO2 layer obtained by thermal oxidation in HCl/O2/N2 mixture have uniform and reproducible electrical properties at low injection level. Furthermore the breakdown phenomenon observed at high injection level has

Paris-Sud XI, Université de


Characterization of CeO2-Supported Cu-Pd Bimetallic Catalyst for the Oxygen-Assisted Water-Gas Shift Reaction  

SciTech Connect (OSTI)

This study was focused to investigate the roles of Cu and Pd in CuPd/CeO2 bimetallic catalysts containing 20-30 wt% Cu and 0.5-1 wt% Pd used in the oxygen-assisted water-gas shift (OWGS) reaction employing a combined bulk and surface characterization techniques such as XRD, TPR, CO chemisorption, and in-situ XPS. The catalytic activity for CO conversion and the stability of catalyst during on-stream operation increased by the addition of Cu to Pd/CeO2 or Pd to Cu/CeO2 monometallic catalysts, especially when the OWGS reaction was performed under low temperatures, below 200oC. The bimetallic catalyst after leaching with nitric acid retained about 60% of its original activity. The TPR of monometallic Cu/CeO2 showed reduction of CuO supported on CeO2 in two distinct regions, around 150 and 250oC. The high temperature peak disappeared and reduction occurred in a single step around 150oC upon Pd addition. The Pd dispersion decreased from 38.5% for Pd/CeO2 to below 1% for CuPd/CeO2 bimetallic catalyst. In-situ XPS studies showed a shift in Cu 2p peaks toward lower binding energy (BE) with concommitant shift in the Pd 3d peaks toward higher BE. Addition of Pd decreased the surface Cu concentration while the concentration of Pd remained unaltered. All these observations indicated the formation of Cu-Pd surface alloy. The valence band XP spectra collected below 10 eV corroborated the core level XP spectra and indicated that Cu is mainly involved in the catalytic reaction. The improved catalytic activity and stability of CuPd/CeO2 bimetallic catalyst was attributed to the alloy formation.

Fox, Elise; Velu, Subramani; Engelhard, Mark H.; Chin, Ya-Huei; Miller, Jeffrey T.; Kropf, Jeremy; Song, Chunshan



Synergistic Effect of Nano-TiO2 and Nanoclay on the Ultraviolet Degradation and Physical Properties of Wood Polymer Nanocomposites  

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(7) The combination of nanoclay with other metal nanoparticles will influence the properties of the composites considerably, as reported by Laachachia et al. while studying the properties of poly(methyl methacrylate) (PMMA) nanocomposites prepared with TiO2 and nanoclay. ... (30) Mina et al. studied the XRD pattern of a polypropylene/titanium dioxide composite and reported a similar increase in the peak intensity of TiO2 in the composites. ...

Ankita Hazarika; Tarun K. Maji



Chemical spray pyrolysis deposition and characterization of p-type CuCr1?xMgxO2 transparent oxide semiconductor thin films  

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A chemical spray pyrolysis technique for deposition of p-type Mg-doped CuCrO2 transparent oxide semiconductor thin films using metaloorganic precursors is described. As-deposited films contain mixed spinel CuCr2O4 and delafossite CuCrO2 structural phases. Reduction in spinel CuCr2O4 fraction and formation of highly crystalline films with single phase delafossite CuCrO2 structure is realized by annealing at temperatures ?700 °C in argon. A mechanism of synthesis of CuCrO2 films involving precursor decomposition, oxidation and reaction between constituent oxides in the spray deposition process is presented. Post-annealed CuCr0.93Mg0.07O2 thin films show high (?80%) visible transmittance and sharp absorption at band gap energy with direct and indirect optical band gaps 3.11 and 2.58 eV, respectively. Lower (?450 °C) substrate temperature formed films are amorphous and yield lower direct (2.96 eV) and indirect (2.23 eV) band gaps after crystallization. Electrical conductivity of CuCr0.93 Mg0.07O2 thin films ranged 0.6–1 S cm?1 and hole concentration ?2×1019 cm?3 determined from Seebeck analysis. Temperature dependence of conductivity exhibit activation energies ?0.11 eV in 300–470 K and ?0.23 eV in ?470 K region ascribed to activated conduction and grain boundary trap assisted conduction, respectively. Heterojunction diodes of the structure Au/n-(ZnO)/p-(CuCr0.93Mg0.07O2)/SnO2 (TCO) were fabricated which show potential for transparent wide band gap junction device.

S.H. Lim; Suma Desu; A.C. Rastogi



Electrode Materials with the Na0.44MnO2 Structure: Effect ofTitanium Substitution on Physical and Electrochemical Properties  

SciTech Connect (OSTI)

The physical and electrochemical properties of LixMnO2 and LixTi0.11Mn0.89O2 synthesized from precursors made by glycine-nitrate combustion (GNC) and solid-state synthesis methods (SS) are examined in this paper. The highest specific capacities in lithium cells are obtained for SS-LixMnO2 electrodes at low current densities, but GNC-LixTi0.11Mn0.89O2 electrodes show the best high rate performance. These results can be explained by changes in the voltage characteristics and differences in the particle morphologies induced by the Ti-substitution and synthesis method. Ti-substitution also results in a decrease in the electronic conductivity, but greatly improves the thermal properties and imparts dissolution resistance to the electrode. For these reasons, it is preferable to use LixTi0.11MnO0.89O2 in lithium battery configurations rather than LixMnO2. Suggestions for improving the electrochemical performance of the Ti-substituted variant are given based on the results described herein.

Doeff, Marca M; Saint, Juliette A.; Doeff, Marca M; Wilcox, James D.



CO2 Capture Options for an Existing Coal Fired Power Plant: O2/CO2 Recycle Combustion vs. Amine Scrubbing  

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

OPTIONS FOR AN EXISTING COAL FIRED POWER PLANT: OPTIONS FOR AN EXISTING COAL FIRED POWER PLANT: O 2 /CO 2 RECYCLE COMBUSTION vs. AMINE SCRUBBING D. J. Singh (djsingh@uwaterloo.ca; +001-519-496-2064) E. Croiset 1 (ecroiset@uwaterloo.ca;+001-519-888-4567x6472) P.L. Douglas (pdouglas@uwaterloo.ca; +001-519-888-4567x2913) Department of Chemical Engineering, University of Waterloo, Waterloo, Ontario, Canada, N2L 3G1 M.A. Douglas (madougla@nrcan.gc.ca; +001-613 996-2761) CANMET Energy Technology Centre, Natural Resources Canada, 1 Haanel Dr., Nepean, Ontario, Canada, K1A 1M1 Abstract The existing fleet of modern pulverized coal fired power plants represents an opportunity to achieve significant greenhouse gas (GHG) emissions in the coming years providing efficient and economical CO 2 capture technologies are available for retrofit.


Experimental investigation and modeling of the creep behavior of ceramic fiber-reinforced SiO2 aerogel  

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Ambient creep tests at constant stresses of 0.05 and 0.1 MPa were conducted on a ceramic fiber-reinforced SiO2 aerogel for more than 240 h. Experimental result shows that there are creep deformations even at very low stress level, and the creep strains finally reach constant values. High temperature creep experiments were also investigated at constant stresses of 0.05 and 0.2 MPa for 1800 s. The creep strains in 1800 s at 900 °C are 20–69 times higher than that at 300 °C. The creep behavior could be well described by the power-law creep model. Scanning Electron Microscope (SEM) analysis was also conducted to understand the micro mechanism of the creep behavior. Thermal softening of aerogel nanoparticles to generate larger ones was found to be the main reason for the change in mechanical properties at high temperature.

Xiaoguang Yang; Yantao Sun; Duoqi Shi



Observation of a P-associated defect in Hf O 2 nanolayers on (100)Si by electron spin resonance  

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Electron spin resonance analysis has detected a P-donor related point defect in nanometer-thick Hf O 2 films on (100)Si after annealing in the range of 500 – 900 ° C . Based on the principal g matrix (axial; g ? = 1.9965 ; g ? = 1.9975 ) and hyperfine tensor values ( A 1 = 1425 ± 10 G A 2 = 1245 ± 10 G and A 3 = 1160 ± 10 G ) inferred from consistent K - and Q -band spectrum simulations the center is assigned to a P 2 -type defect—a P substituting a Hf atom—similar to P 2 in silica where the unpaired spin is strongly localized on the P atom. The annealing impact is linked to the onset of crystallization enabling substitutional positioning of the P impurities. The centers may act as detrimental charge trapping sites.

K. Clémer; A. Stesmans; V. V. Afanas’ev



Oxygen evolution reaction on IrO2-based DSA® type electrodes: kinetics analysis of Tafel lines and EIS  

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The oxygen evolution reaction (OER) on IrO2–Ta2O5 mixed oxide electrodes in H2SO4 solution was studied by performing quasi-stationary current-potential and electrochemical impedance spectroscopy (EIS) measurements. The uncompensated resistance corrected Tafel lines displayed two distinct linear regions, with one of the slope close to 60 mV dec?1 in the low potential region and the other close to 130 mV dec?1 in the high potential region. The kinetics equations based on the proposed OER mechanism were derived and were used to simulate the current-potential curve. A mathematical deduction of EIS data was also carried out based on one state-variable theory. Both the polarization curve and impedance spectra were well approximated by kinetics analysis.

Ji-Ming Hu; Jian-Qing Zhang; Chu-Nan Cao



On the application of MCSCF models for the calculation of spectroscopic constants for several low lying states of O2 +?  

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The behavior of multiconfiguration self?consistent field (MCSCF) and restricted configuration interaction (CI) wave functions are investigated for the case of a homonuclear positive diatomic i.e. O2 +. Both molecular orbital (MO) and orthogonalized valence bond (VB) models are used. In the MO model the normal symmetry restrictions (D ?h ) are imposed on the orbital while these are lifted in the VB model thus permitting a more correct behavior on dissociation. Using He2 + as a prototype system the customary partitioning of the MO configuration set into subsets corresponding to proper dissociation molecular extra correlation and atomic correlation is examined. It is shown that when the orbitals are optimized this partitioning is no longer valid i.e. atomic correlation cannot be excluded. For O2 + the proper dissociation function in the MO model is rather unwieldy. This arises because allowance must be made for the difference between the atomic orbitals of O and O+. We therefore use as our starting point in the configuration selection procedure the much simpler base wave function which corresponds to a correct dissociation limit in a minimal basis set. The VB model does not suffer from these difficulties. However due to the absence of symmetry restrictions there is a symmetry breakdown in the VB calculation in the range 1.5four of the five lowest lying states. viz. 2? g 4? u 2? u and 2? u via MO–MCSCF calculations using the base wave function augmented by all valence shell (2p) configurations of the correct symmetry. For the 4? u and for the 4? g ? state (for which poor results were obtained in the MO model) VB–CI calculations were also performed. In these calculations all single excitations from a reference state consisting of the proper dissociation function and all valence shell (2p) C ?v configurations were included leading to satisfactory agreement with experimental data.

Paul J. A. Ruttink; Joop H. van Lenthe



Copper-pillared clays (Cu-PILC) for agro-food wastewater purification with H2O2  

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Copper-pillared clays (Cu-PILC) are effective and stable catalysts for the wet hydrogen peroxide catalytic oxidation (WHPCO) of waste in water. They are studied both in the conversion of model molecules (p-coumaric acid, p-hydroxybenzoic acid) and in the treatment of various real wastewaters from agro-food production: (i) deriving from citrus juice production, (ii) extracted concentrated polyphenolics fraction from olive oil milling (OMW) and (iii) OMW derived from three different sources. In the latter cases, tests were made both in a lab-scale reactor and in a larger volume (about 10 l) reactor. The results showed that Cu-PILC layered materials might be used to treat real wastewater from agro-food production, and not only simple model chemicals as typically made in the literature. In all cases, using a semi-batch slurry-type reactor with a continuous feed of H2O2, the behaviour both in TOC (total organic carbon) and in polyphenols abatement may be described using pseudo-first-order reaction rates. Using real wastewater the rate constants are one–two-orders of magnitude lower than using model molecules, and a decrease in the ratio between rate constant of phenols conversion and rate constant of TOC abatement is observed. However, this ratio maintains over one in all cases. A typical value is around two, but the composition of wastewater and reaction conditions influences this ratio. Scaling-up to a larger volume semi-continuous slurry-type reactor causes a further lowering of one-order of magnitude in the rate constants of TOC and polyphenols depletion, due to fouling of the catalyst related to the preferential coupling of the organic radicals and deposition over the catalyst with respect to their further degradation by hydroxyl radicals generated from H2O2 activation on the copper ions of the catalyst. The use of a different reactor to overcome this problem is suggested.

Simona Caudo; Chiara Genovese; Siglinda Perathoner; Gabriele Centi



TiO2 Nanotubes/MWCNTs Nanocomposite Photocatalysts: Synthesis, Characterization and Photocatalytic Hydrogen Evolution Under UV-Vis Light Illumination  

SciTech Connect (OSTI)

Nanocomposite of TiO2 nanotubes (TiO2NTs) and multiwalled carbon nanotubes (MWCNTs) has been synthesized by a hydrothermal method and firstly used in photocatalytic hydrogen production. The obtained TiO2 NTs/MWCNTs composites were characterized by X-ray diffraction, transmission electron microscopy, Raman spectrum and ultraviolet-visible diffuse reflectance spectroscopy. The experimental results revealed that the MWCNTs were decorated with well dispersed anatase TiO2 nanotubes with a diameter of 8-15 nm. A slight blue shift and weak symmetry was observed for the strongest Raman peak which resulted from strain gradients originating from interface integration between TiO2 nanotubes and MWCNTs. The photocatalytic activity of the as-prepared samples was evaluated by hydrogen evolution from water splitting using Na2S and Na2SO3 as sacrificial reagents under UV-vis light irradiation. Enhanced photocatalytic activity compared with P25 has been observed for the resulted samples. The nanocomposite with optimized MWCNTs content of 1% displayed a hydrogen production rate of 161 u mol/h/g. Good photocatalytic stability of the as-synthesized samples was observed as well.

Li, Hao-Peng; Zhang, Xiao-Yan; Cui, Xiao-Li; Lin, Yuehe



Investigation on the delaminated-pillared structure of TiO2-PILC synthesized by TiCl4 hydrolysis method  

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TiO2-PILCs were synthesized by the reaction between montmorillonite and acidic solutions of hydrolyzed TiCl4. Unlike commonly reported microporous pillared structure, a meso–microporous delaminated structure containing pillared fragments was observed in the resulting TiO2-PILC, based on the combined analyses of powder X-ray diffraction (XRD), nitrogen adsorption–desorption isotherms, chemical analysis, thermogravimetric (TG) and differential scanning calorimetry (DSC) analyses. Air-drying after ethanol extraction (EAD) is shown to be more effective than air-drying (AD) in preserving the delaminated structure in the resultant Ti-clay. A broad XRD peak at low 2? angle with a high d-spacing of ?6.6 nm was firstly reported and it was proposed to be correlated with the mesoporous delaminated structure rather than the (0 0 1) reflection of intercalated/pillared periodic structure. The resulting TiO2-PILC exhibits a good thermal stability as indicated by its surface area after calcination at 600 °C. Moreover, calcination above 300 °C results in the formation of nanocrystalline anatase in the TiO2-PILC, and the grain size of anatase increases with the increment of calcination temperature. However, no phase transformation from anatase to rutile was observed even under calcination at 1000 °C. These fundamental results provide new insights about the structure of TiO2-PILC synthesized by TiCl4 hydrolysis method.

Peng Yuan; Xiaoling Yin; Hongping He; Dan Yang; Linjiang Wang; Jianxi Zhu



Study of Co/CeO2-?-Al2O3 catalysts for steam and oxidative reforming of ethanol for hydrogen production  

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Abstract Cobalt catalysts supported on ?Al2O3, CeO2 and CeO2-?Al2O3 were prepared by the impregnation method and applied to steam and oxidative reforming of ethanol. The catalysts were characterized by temperature-programmed reduction with H2 (TPR-H2), X-ray diffraction (XRD), N2-physisorption and diffuse reflectance spectroscopy in the ultra-violet visible range (DRS-UV–Vis). Steam reforming of ethanol was carried out at 400 °C, 500 °C and 600 °C with an ethanol/water feed in a molar ratio of 1:3. The oxidative reforming of ethanol was carried out at 500 °C with an ethanol/H2O/O2 feed in molar proportion 1:3:0.20. Analysis of the gaseous products showed that the Co/?Al2O3 and Co/CeO2-?Al2O3 catalysts were highly selective for H2 and CO2, and this was attributed to the high specific surface area of these catalysts. The addition of O2 to the feed improved the hydrogen selectivity and reduced the carbon formation on Co/?Al2O3, which suffered fast deactivation in the SRE reaction at low temperature.

Thaisa A. Maia; José M. Assaf; Elisabete M. Assaf



Site-Specific Imaging of Elemental Steps in Dehydration of Diols on TiO2(110)  

SciTech Connect (OSTI)

The conversion of diols on partially reduced TiO2(110) at low coverage was studied using variable-temperature scanning tunneling microscopy, temperature programmed desorption and density functional theory calculations. We find, that below ~230 K, ethane-1,2-diol and propane-1,3-diol molecules adsorb predominantly on five-fold coordinated Ti5c atoms. The dynamic equilibrium between molecularly bound and dissociated species resulting from O-H bond scission and reformation is observed. As the diols start to diffuse on the Ti5c rows above ~230 K, they dissociate irreversibly upon encountering bridging oxygen (Ob) vacancy (VO’s) defects. Two dissociation pathways, one via O-H and the other via C-O bond scission leading to identical surface intermediates, hydroxyalkoxy, Ob-(CH2)n-OH (n = 2, 3) and bridging hydroxyl, HOb, are seen. For O-H bond scission, the Ob-(CH2)n-OH is found on the position of the original VO, while for C-O scission it is found on the adjacent Ob site. Theoretical calculations suggest that the observed mixture of C-O/O-H bond breaking processes are a result of the steric factors enforced upon the diols by the second OH group that is bound to a Ti5c site. At room temperature, rich dissociation/reformation dynamics of the second, Ti5c-bound O-H leads to the formation of dioxo, Ob-(CH2)n-OTi, species. Above ~400 K, both Ob-(CH2)n-OH and Ob-(CH2)n-OTi species convert into a new intermediate, that is centered on Ob row. Combined experimental and theoretical evidence shows that this intermediate is most likely a new dioxo, Ob-(CH2)2-Ob, species. Further annealing leads to sequential C-Ob bond cleavage and alkene desorption above ~ 500 K. Simulations find that the sequential C-O bond breaking process follows a homolytic diradical pathway with the first C-O bond breaking event accompanied by a non-adiabatic electron transfer within the TiO2(110) substrate.

Acharya, Danda P.; Yoon, Yeohoon; Li, Zhenjun; Zhang, Zhenrong; Lin, Xiao; Mu, Rentao; Chen, Long; Kay, Bruce D.; Rousseau, Roger J.; Dohnalek, Zdenek



Photocatalytic hydrogen production from methanol aqueous solution under visible-light using Cu/S–TiO2 prepared by electroless plating method  

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Abstract Cu was loaded on the S-doped TiO2 by electroless plating method. The prepared Cu/S–TiO2 exhibited high photocatalytic activity for hydrogen generation, and the yield is up to 7.5 mmol h? 1 g? 1cat in methanol solution. Their physical structure and chemical properties were characterized by UV–Vis, XRD, XPS and EXAFS. The copper species were CuO and Cu2O, and the sample showed excellent visible light absorption ability. Comparing with the sample prepared by chemical reducing method, the electroless plated copper on S–TiO2 was highly dispersed, which could facilitate photo-generated charges capture, transfer and separation.

Wenyu Zhang; Shengjun Wang; Jingguo Li; Xiaoyong Yang



A ternary phased SnO2-Fe2O3/SWCNTs nanocomposite as a high performance anode material for lithium ion batteries  

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Abstract A new SnO2-Fe2O3/SWCNTs (single-walled carbon nanotubes) ternary nanocomposite was first synthesized by a facile hydrothermal approach. SnO2 and Fe2O3 nanoparticles (NPs) were homogeneously located on the surface of SWCNTs, as confirmed by X-ray diffraction (XRD), transmission electron microscope (TEM) and energy dispersive X-ray spectroscopy (EDX). Due to the synergistic effect of different components, the as synthesized SnO2-Fe2O3/SWCNTs composite as an anode material for lithium-ion batteries exhibited excellent electrochemical performance with a high capacity of 692 mAh·g?1 which could be maintained after 50 cycles at 200 mA·g?1. Even at a high rate of 2000 mA·g?1, the capacity was still remained at 656 mAh·g?1.

Wangliang Wu; Yi Zhao; Jiaxin Li; Chuxin Wu; Lunhui Guan



Experimental Investigation of the Combustion of Bituminous Coal in Air and O2/CO2 Mixtures: 1. Particle Imaging of the Combustion of Coal and Char  

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Experimental Investigation of the Combustion of Bituminous Coal in Air and O2/CO2 Mixtures: 1. Particle Imaging of the Combustion of Coal and Char ... (1, 2) Extensive studies in both pilot-plant and lab scales have pointed out the pronounced influence of gas composition (air versus O2/CO2) on coal combustion performance. ... By augmenting a companion paper on ash formation in air versus O2/CO2,(17) this study aims to provide further evidence to promote the understanding on the role of CO2 on the combustion of bituminous coal and hence shed new lights into the retrofitting of existing power generation plants with oxy-firing technology. ...

Lian Zhang; Eleanor Binner; Luguang Chen; Yu Qiao; Chun-Zhu Li; Sankar Bhattacharya; Yoshihiko Ninomiya



Anomalous In-Plane Electronic Scattering in Charge Ordered Na0.41CoO2·0.6H2O  

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We report electronic transport measurements on high quality floating zone grown NaxCoO2 and Na0.41CoO2·0.6H2O single crystals. We find an in-plane electronic scattering minimum near 11 K and a clear charge ordering at approximately 50 K. The electronic and magnetic properties in hydrated and nonhydrated Na0.41CoO2 samples are similar at higher temperature, but evolve in markedly different ways below ?50??K, where a strong ferromagnetic tendency is observed in the hydrated sample. Model calculations show the relationship of this tendency to the structure of the Fermi surface. The results, particularly the clear differences between the hydrated and nonhydrated material show a substantially enhanced ferromagnetic tendency upon hydration. Implications for superconductivity are discussed.

Guixin Cao; Maxim M. Korshunov; Yuze Gao; Mathieu Le Tacon; David J. Singh; Chengtian Lin



Characteristics of atmospheric-pressure non-thermal N2 and N2/O2 gas mixture plasma jet  

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An atmospheric-pressure non-thermal plasma jet driven by high frequency alternating current and operating on N2 and N2/O2 gas mixture is investigated. The plasma jet can reach 55?mm in length at a gas flow rate of 2500?l/h. The gas temperature at a distance of 4?mm from the nozzle is close to room temperature. Optical emission spectroscopy is employed to investigate the important plasma parameters such as the excited species rotational temperature vibrational temperature and excitation temperature under different discharge conditions. The results show that the plasma source operates under non-equilibrium conditions. The absolute irradiance intensity of the vibrational band N2(C-B) in the active region is measured. Taking into account the irradiance intensity of N2(C-B 0-0) and N2(B-X 0-0) as well as measured current the electron density which is determined by considering direct and step-wise electron impact excitation of nitrogen emission reaches a maximum value of 5.6?×?1020/m3.

Dezhi Xiao; Cheng Cheng; Jie Shen; Yan Lan; Hongbing Xie; Xingsheng Shu; Jiangang Li; Paul K. Chu


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


Symmetry breaking Hopf bifurcations in equations with O(2) symmetry with application to the Kuramoto-Sivashinsky equation  

SciTech Connect (OSTI)

In problems with O(2) symmetry, the Jacobian matrix at nontrivial steady state solutions with D{sub n} symmetry always has a zero eigenvalue due to the group orbit of solutions. We consider bifurcations which occur when complex eigenvalues also cross the imaginary axis and develop a numerical method which involves the addition of a new variable, namely the velocity of solutions drifting around the group orbit, and another equation, which has the form of a phase condition for isolating one solution on the group orbit. The bifurcating branch has a particular type of spatio-temporal symmetry which can be broken in a further bifurcation which gives rise to modulated travelling wave solutions which drift around the group orbit. Multiple Hopf bifurcations are also considered. The methods derived are applied to the Kuramoto-Sivashinsky equation and we give results at two different bifurcations, one of which is a multiple Hopf bifurcation. Our results give insight into the numerical results of Hyman, Nicolaenko, and Zaleski. 30 refs., 2 figs., 2 tabs.

Amdjadi, F. [Univ. of Surrey, Guildford (United Kingdom)] [Univ. of Surrey, Guildford (United Kingdom); [Zanjan Univ. (Iran, Islamic Republic of); Aston, P.J. [Univ. of Surrey, Guildford (United Kingdom)] [Univ. of Surrey, Guildford (United Kingdom); Plechac, P. [Heriot-Watt Univ., Edinburgh (United Kingdom)] [Heriot-Watt Univ., Edinburgh (United Kingdom)



Structural and magnetic properties of Y0.33Sr0.67CoO2.79  

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The perovskite-based oxide Y0.33Sr0.67CoO2.79 has been magnetically and structurally characterized. The material shows a unit cell of 2×2×4 simple perovskite cubes with space group I4/mmm. This is a different structure to that observed in the much-studied (La,Sr)CoO3 oxides. Oxygen stoichiometry is established through thermogravimetric analysis and correlated with ac and dc magnetic measurements and magnetic neutron diffraction. Hysteresis with field and temperature is observed in the dc magnetization measurements, yet the absence of an imaginary component in the ac susceptibility suggests a time-independent cause for these effects such as the presence of independently ordering ferromagnetic regions due to compositional inhomogeneities within the (single-phase) sample. Rietveld magnetic refinements suggest that the Co moments are arranged antiferromagnetically below 320 K, with the ferromagnetic regions existing within the long-range ordered antiferromagnetic matrix. The staggered moments are (anti)parallel with the c axis and of magnitude 2?B, a moment most typical of intermediate spin Co3+. The material does not enter a spin glass or cluster glass phase, but appears to undergo a broad spin-state transition below 100 K.

D. J. Goossens; K. F. Wilson; M. James; A. J. Studer; X. L. Wang



Low-temperature formation of Si O 2 layers using a two-step atmospheric pressure plasma-enhanced deposition-oxidation process  

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Silicon oxide ( Si O 2 ) layers were fabricated at low temperatures ( ? 400 ° C ) by combining the deposition of hydrogenated amorphous Si ( a - Si : H ) with its oxidation using atmospheric pressure plasmas excited by a 150 MHz very high-frequency (VHF) power. The surface excitation by the atmospheric pressure VHF plasma was capable of reducing the temperature for the hydrogen effusion from a - Si : H . As a result a porous a - Si : H film containing a large amount of hydrogen could be transformed into a stoichiometric Si O 2 with an approximately 24% increase in oxidation rate compared with the oxidation of Si(001) at a temperature of 400 ° C .

Hiroaki Kakiuchi; Hiromasa Ohmi; Makoto Harada; Heiji Watanabe; Kiyoshi Yasutake



Photo-induced Charge Separation across the Graphene–TiO2 Interface Is Faster than Energy Losses: A Time-Domain ab Initio Analysis  

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This fact can be used to avoid energy and voltage losses to heat. ... Figure 3a presents the situation in which the PE state density is distributed equally between the graphene sheet and the TiO2 surface. ... The inhomogeneous distribution of the PE state energy owing to thermal fluctuations is much smaller than the graphene excitation energy or the TiO2 band gap; however, this has an obvious influence on the position of the donor state vis-à-vis the acceptor states. ...

Run Long; Niall J. English; Oleg V. Prezhdo



Phase Equilibria in Synthetic Coal–Petcoke Slags (Al2O3–CaO–FeO–SiO2–V2O3) under Simulated Gasification Conditions  

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Phase Equilibria in Synthetic Coal–Petcoke Slags (Al2O3–CaO–FeO–SiO2–V2O3) under Simulated Gasification Conditions ... Phase equilibria of the Al2O3–CaO–FeO–SiO2–V2O3 system in synthetic slag mixtures simulating coal–petcoke slag chemistry at 1500 °C in an oxygen partial pressure of 10–8 atm were investigated by a series of quench experiments. ... Petroleum coke or petcoke is a waste product of petroleum refining and is an attractive feedstock alternative for carbon. ...

Jinichiro Nakano; Kyei-Sing Kwong; James Bennett; Thomas Lam; Laura Fernandez; Piyamanee Komolwit; Seetharaman Sridhar



Removal of pharmaceutical and personal care products (PPCPs) pollutants from water by novel TiO2–Coconut Shell Powder (TCNSP) composite  

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Abstract Photocatlytic removal of three pharmaceutical and personal care products pollutants using novel TiO2–Coconut Shell Powder (TCNSP) composite was investigated. The photocatalytic degradation rate of \\{PPCPs\\} generally increased with increasing light intensity and dissolved oxygen concentration. The degradation rate decreased with increasing initial concentration of PPCPs. The \\{PPCPs\\} concentration decreased substantially under irradiation of UVC when used in conjunction with the TCNSP composite. A number of composite/radiation types and intensities were tested. The concentration rate decrease trend was as: UVC/TCNSP > UVA/TCNSP > UVC > UVA. Under the UVC/TCNP combination, 99% removal was achieved compared to 30% for TiO2.

Majeda Khraisheh; Jongkyu Kim; Luiza Campos; Ala’a H. Al-Muhtaseb; Alaa Al-Hawari; Mohammad Al Ghouti; Gavin M. Walker



Washing Effect of a LiNi0.83Co0.15Al0.02O2 Cathode in Water Jisuk Kim,a  

E-Print Network [OSTI]

high capacity active materials, such as Si, Sn, or LiNi1-x-yCoxMnyO2 with a 4.2 V cutoff.1-5 OneWashing Effect of a LiNi0.83Co0.15Al0.02O2 Cathode in Water Jisuk Kim,a Youngsik Hong,b,d Kwang Sun mAh Li-ion cell was commercialized in 2004. Despite the fact that the electrode materials used were

Cho, Jaephil


Dopant-Driven Nanostructured Loose-Tube SnO2 Architectures: Alternative Electrocatalyst Supports for Proton Exchange Membrane Fuel Cells  

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(6) Recently, SnO2 has also been used as an alternative material to conventional supports for electrocatalysts in proton exchange membrane fuel cells (PEMFC)(7, 8) in an approach attracting increasing interest to remediate the corrosion of conventional carbon support materials. ... Time-effective and reliable methods for studying catalyst durability are indispensable for developing PEMFC catalysts. ... These results indicate that SnO2-supported carbon-free electrocatalysts can be alternatives to the conventional Pt/C electrocatalyst, as a fundamental soln. ...

Sara Cavaliere; Surya Subianto; Iuliia Savych; Monique Tillard; Deborah J. Jones; Jacques Rozière



Combined Steam and Carbon Dioxide Reforming of Methane on Ni/MgAl2O4: Effect of CeO2 Promoter to Catalytic Performance  

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The catalytic performance during combined steam and carbon dioxide reforming of methane (SCR) was investigated on Ni/MgAl2O4 catalyst promoted with CeO2. The SCR catalyst was prepared by co-impregnation method us...

Seung-Chan Baek; Jong-Wook Bae; Joo Yeong Cheon; Ki-Won Jun…



Surface characterization studies of TiO2 supported manganese oxide catalysts for low temperature SCR of NO with NH3  

E-Print Network [OSTI]

SCR of NO with NH3 Padmanabha Reddy Ettireddy a , Neeraja Ettireddy a , Sergey Mamedov b , Punit-impregnation method for the low temperature selective catalytic reduction (SCR) of NO with ammonia as a reductantO2 supported catalysts for low temperature SCR reaction at catalyst bed temperature 175 8C under

Boolchand, Punit


Magnetic Fe3O4@TiO2 Nanoparticles-based Test Strip Immunosensing Device for Rapid Detection of Phosphorylated Butyrylcholinesterase  

SciTech Connect (OSTI)

An integrated magnetic nanoparticles-based test-strip immunosensing device was developed for rapid and sensitive quantification of phosphorylated butyrylcholinesterase (BChE), the biomarker of exposure to organophosphous pesticides (OP), in human plasma. In order to overcome the difficulty in scarce availability of OP-specific antibody, here magnetic Fe3O4@TiO2 nanoparticles were used and adsorbed on the test strip through a small magnet inserted in the device to capture target OP-BChE through selective binding between TiO2 and OP moiety. Further recognition was completed by horseradish peroxidase (HRP) and anti-BChE antibody (Ab) co-immobilized gold nanoparticles (GNPs). Their strong affinities among Fe3O4@TiO2, OP-BChE and HRP/Ab-GNPs were characterized by quartz crystal microbalance (QCM), surface plasmon resonance (SPR) and square wave voltammetry (SWV) measurements. After cutting off from test strip, the resulted immunocomplex (HRP/Ab-GNPs/OP-BChE/Fe3O4@TiO2) was measured by SWV using a screen printed electrode under the test zone. Greatly enhanced sensitivity was achieved by introduction of GNPs to link enzyme and antibody at high ratio, which amplifies electrocatalytic signal significantly. Moreover, the use of test strip for fast immunoreactions reduces analytical time remarkably. Coupling with a portable electrochemical detector, the integrated device with advanced nanotechnology displays great promise for sensitive, rapid and in-filed on-site evaluation of OP poisoning.

Ge, Xiaoxiao; Zhang, Weiying; Lin, Yuehe; Du, Dan



Dependence of Band Offset and Open-Circuit Voltage on the Interfacial Interaction between TiO2 and Carboxylated Polythiophenes  

E-Print Network [OSTI]

the open-circuit voltage. An attractive approach for making low-cost photovoltaic (PV) cells is to use bulk, 2005 The interface of planar TiO2/polymer photovoltaic cells was modified with two carboxylated to titania surfaces in photovoltaic cells. If the density of attachment groups is just enough to attach

McGehee, Michael


Au/Pt Nanoparticle-Decorated TiO2 Nanofibers with Plasmon-Enhanced Photocatalytic Activities for Solar-to-Fuel Conversion  

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Our studies demonstrate that through rational design of composite nanostructures one can harvest visible light through the SPR effect to enhance the photocatalytic activities of semiconductors initiated by UV-light to more effectively utilize the whole solar spectrum for energy conversion. ... (4-7) Nevertheless, the applications of pure TiO2 for solar fuel production are often restricted by several main disadvantages: (1) due to the wide band gap (Eg: ?3.2 eV), TiO2 can only absorb UV light which accounts for only ?4% of the solar irradiation;(6, 8, 9) (2) rapid recombination of photogenerated charge carriers leads to low quantum yield of TiO2;(10) and (3) large overpotential for hydrogen (H2) production and CO2 reduction. ... (18, 20, 35, 36) Thus, to achieve high efficiency for photocatalytic H2 production, the coloading of Pt NPs into Au/TiO2 composite structures would be desirable by combining the advantages of both SPR effect of Au NPs and activation effect of Pt NPs for HER. ...

Zhenyi Zhang; Zheng Wang; Shao-Wen Cao; Can Xue



Plasma-Assisted Synthesis of TiO2 Nanorods by Gliding Arc Discharge Processing at Atmospheric Pressure for Photocatalytic Applications  

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The present study explores a new method of synthesis of TiO2 nano-particles in an aqueous medium from TiCl3 precursor by non-thermal plasma in humid air as feeding gas obtained at atmospheric pressure. The precur...

E. Acayanka; A. Tiya Djowe; S. Laminsi…



Air stable Al2O3-coated Li2NiO2 cathode additive as a surplus current consumer in a Li-ion cell  

E-Print Network [OSTI]

cathode additive is prepared by coating with Al iso-propoxide on Li2NiO2, obtained from firing exothermic reaction with an electrolyte during the overcharging process, which may result in a short-circuiting of the cell.5­9 A combination of the temperature increase and the internal short circuit of the cell

Cho, Jaephil


Phosphorus derivatives as electrolyte additives for lithium-ion battery: The removal of O2 generated from lithium-rich layered oxide cathode  

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Abstract Direct internal pressure measurements of the cylindrical Li-ion cells with a mixture of LiCoO2 and Li1.167Ni0.233Co0.1Mn0.467Mo0.033O2 (a solid solution between 0.4 Li2Mn0.8Ni0.1Mo0.1O3 and 0.6 LiNi0.4Co0.2Mn0.4O2) as cathode and graphite as anode have been performed during cell charging. Cell internal pressure at the end of charging is greatly reduced from 2.85 to 0.84–1.84 bar by adding a small amount of phosphorus derivatives such as triphenyl phosphine (TPP), ethyl diphenylphosphinite (EDP), and triethyl phosphite (TEP) into a carbonate-based electrolyte. The phosphorus derivatives are supposed to react with O2 generated from the decomposition of the Li2MnO3 component. The chemical states of additive molecules before and after the charging process have been characterized with a nuclear magnetic resonance (NMR) spectroscopy and gas chromatography–mass spectrometry (GC–MS). It has also been shown that those additives improve the cycle life when applied in coin full cells.

Dong Joon Lee; Dongmin Im; Young-Gyoon Ryu; Seoksoo Lee; Jaegu Yoon; Jeawoan Lee; Wanuk Choi; Insun Jung; Seungyeon Lee; Seok-Gwang Doo



Surface Modification of LiNi0.5Mn0.3Co0.2O2 Cathode for Improved Battery Performance  

E-Print Network [OSTI]

This thesis details electrical and physical measurements of pulsed laser deposition-applied thin film coatings of Alumina, Ceria, and Yttria-stabilized Zirconia (YSZ) on a LiNi0.5Mn0.3Co0.2O2 (NMC) cathode in a Lithium ion battery. Typical NMC...

Lynch, Thomas



Efficient Solar Energy Storage Using A TiO2/WO3 Tandem Photoelectrode in An All-vanadium Photoelectrochemical Cell  

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Abstract Using a photoelectrochemical (PEC) cell to convert solar energy to either electricity or chemical fuels has attracted much attention in the last four decades. However, two major obstacles that hinder wide-spread application of this approach lie in the relatively wide bandgap of chemically stable semiconducotrs, e.g., TiO2, and the rapid recombination of photogenerated charge carriers once they are generated within the semiconductors. We reported herein a method that utilized vanadium redox pairs, which are commonly used in vanadium redox-flow batteries (VRB), to mitigate charge carrier recombination and thus to improve photoresponse in regenerative solar energy storage for the first time. The results showed significant improvement in photocurrent during photo-charging of the all-vanadium PEC storage cell with the addition of a very low morlarity of vanadium redox species (0.01 M) to the acid electrolytes. Additonally, the photocurrent was almost doubled even with a TiO2 electrode when two vanadium redox species were used in a full-cell configuration instead of a half-cell setup. To further enhance the light absorption, a TiO2/WO3 tandem electrode was studied and compared to the TiO2 electrode in various vanadium redox electrolytes. The tandem electrode showed higher photoresponse in all electrolytes investigated. Furthermore, the important role of vanadium redox species and WO3 have been discussed.

Dong Liu; Zi Wei; Chia-jen Hsu; Yi Shen; Fuqiang Liu



Preparation of K2Ti6O13/TiO2 bio-ceramic on titanium substrate by micro-arc oxidation  

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K2Ti6O13/TiO2 bio-ceramic coatings are prepared successfully by micro-arc oxidation on titanium substrate in pure KOH electrolyte...2) and in KOH electrolyte with different concentrations (0.5–1.2 mol/L). The com...

Zhongwei Zhao; Xingyu Chen; Ailiang Chen; Guangsheng Huo…



Photo-Degradation of Methelyne Blue over V2O5–TiO2 Nano-Porous Layers Synthesized by Micro Arc Oxidation  

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V2O5–TiO2 porous layers were synthesized via micro-arc oxidation for the first time. The effect of...k = 0.0228 min?1. The band gap energies of the vanadia–titania and pure titania layers were calculated as 2.56 ...

M. R. Bayati; F. Golestani-Fard; A. Z. Moshfegh


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


A novel magnetically separable TiO2/CoFe2O4 nanofiber with high photocatalytic activity under UVvis light  

E-Print Network [OSTI]

, cost effectiveness and non-toxicity, and it efficiently converts abundant solar energy into effective photocatalysis has emerged as an alternative economical and harmless technology for removal of toxic organic chemical energy [2­4]. Much progress on the synthesis of nanostructured TiO2 has been made. To enhance its

Gong, Jian Ru


TiO2 nanoparticles for Li-ion battery anodes: Mitigation of growth and irreversible capacity using LiOH and NaOH  

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TiO2 anatase and rutile nanoparticles with various sizes and morphologies have been synthesized by very facile and scalable methods. A post-treatment including addition of LiOH or NaOH to the particles followed by heating at 180°C in air or autoclave ...

Martin Søndergaard; Yanbin Shen; Aref Mamakhel; Mario Marinaro; Margret Wohlfahrt-Mehrens; Karen Wonsyld; Søren Dahl; Bo B. Iversen



Two-dimensional laser-induced fluorescence imaging of metastable density in low-pressure radio frequency argon plasmas with added O2, Cl2,  

E-Print Network [OSTI]

frequency argon plasmas with added O2, Cl2, and CF4 Brian K. McMillina) and M. R. Zachariah Chemical Science, and CF4 on the argon metastable relative density and spatial distribution in low-pressure, radio at the powered electrode. In contrast, the addition of either Cl2 or CF4 was found to significantly modify

Zachariah, Michael R.


Inorganic Bi/In Thermal Resist as a High Etch Ratio Patterning Layer for CF4/CHF3/O2 Plasma Etch  

E-Print Network [OSTI]

Inorganic Bi/In Thermal Resist as a High Etch Ratio Patterning Layer for CF4/CHF3/O2 Plasma Etch" etch using CF4/CHF3. The profile of etched structures can be tuned by adding CHF3 and other gases such as Ar, and by changing the CF4/CHF3 ratio. Depending on the fluorocarbon plasma etching recipe the etch

Chapman, Glenn H.


DFT+U Study of Polaronic Conduction in Li2O2 and Li2CO3: Implications for Li–Air Batteries  

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DFT+U Study of Polaronic Conduction in Li2O2 and Li2CO3: Implications for Li–Air Batteries ... The emission of greenhouse gases and the local pollution in the cities produced by the fossil fuel-powered vehicles (FFVs) is forcing the development of alternative power systems for automobiles. ... A delocalized solution was found. ...

J. M. Garcia-Lastra; J. S. G. Myrdal; R. Christensen; K. S. Thygesen; T. Vegge



Thermal stability of Pd supported on single crystalline SiO2 thin films B. K. Min, A. K. Santra, and D. W. Goodmana)  

E-Print Network [OSTI]

between elemental Si and a range of metals is thermodynamically favorable,7,8 whereas silicide formation,14 On the other hand, silicide formation by direct interaction between a metal and SiO2 has also been reported undertaken to un- derstand the thermal stability of metal particles and the mechanism of silicide formation

Goodman, Wayne


Control of silicidation in HfO2/Si,,100... interfaces Deok-Yong Cho, Kee-Shik Park, B.-H. Choi,a  

E-Print Network [OSTI]

like nitrogen.6,7 Among these, Hf-silicide is probably most detrimental since it is metallic and degrades the capacitor performance. Metal- lic Hf-silicide formation has been reported in the interfaceControl of silicidation in HfO2/Si,,100... interfaces Deok-Yong Cho, Kee-Shik Park, B.-H. Choi

Oh, Se-Jung


The Effect of Laser Energy and Target–Substrate Distance on the Quality of CeO2 Seed Layer Deposited by PLD  

Science Journals Connector (OSTI)

In this work, CeO2...seed layers have been deposited on RABiTS substrates by pulsed laser deposition (PLD) in a reel-to-reel chamber. We have systematically investigated the effect of laser energy and target–subs...

Xiaokun Song; Dan Hong; Ying Wang…



Malonic acid-assisted synthesis of LiNi0.8Co0.2O2 cathode active material for lithium-ion batteries  

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Polycrystalline LiNi0.8Co0.2O2...was synthesized by a solution route with malonic acid as the complexing agent. The effects of temperature, duration of heat treatment, pH of the precursor solution, and the nature...

G. Ting-Kuo Fey; Zhi-Feng Wang; T. Prem Kumar



Hierarchical mesoporous perovskite La0.5Sr0.5CoO2.91 nanowires with ultrahigh capacity for Li-air batteries  

Science Journals Connector (OSTI)

...active bifunctional electrocatalyst for rechargeable lithium-air...methanol-tolerant oxygen reduction electrocatalyst . J Am Chem Soc 134 ( 4...and Cu) as anode electrocatalyst for direct methanol fuel...PG ( 2007 ) An O 2 cathode for rechargeable lithium...Y ( 2011 ) Method development to evaluate the oxygen...

Yunlong Zhao; Lin Xu; Liqiang Mai; Chunhua Han; Qinyou An; Xu Xu; Xue Liu; Qingjie Zhang



Effect of low pO2 and host plant on colonization of roots by Pseudomonas putida PH6 (L1019)  

E-Print Network [OSTI]

tended to accumulate 1.3-fold more carbon, and "total" bacterial numbers were 1.8 to 2.4-fold higher in the low pO2 treatments than under aerated conditions. However, numbers of L1019 were 1.2 to 5.4-fold higher under aerated conditions, suggesting...

Tavaria, Freni Kekhasharu



Growth of two-dimensional ultrathin anatase TiO2 nanoplatelets on graphene for high-performance lithium-ion battery  

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Ultrathin 2-D anatase TiO2...nanoplatelets with a size of 15 nm and a thickness of only about 2 nm can be directly grown on the surface of graphene oxide support via a new facile one- ... , while the latter is si...

Yaodong Shen; Jun Song Chen; Jixin Zhu; Qingyu Yan…



Enhanced photodegradation of pentachlorophenol in a soil washing system under solar irradiation with TiO2 nanorods combined with municipal sewage sludge  

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Abstract A novel remediation method for soil contaminated with hydrophobic chlorinated aromatic pollutants (HCAPs) was developed using TiO2 nanorods combined with municipal sewage sludge in surfactant solution. The target contaminant washed into surfactant solution from polluted soil can be rapidly removed under natural sunlight irradiation. The photocatalyst synthesized by TiO2 combined with municipal sewage sludge by a hydrothermal process shows excellent ability in this situation. The TiO2 nanorods appear on the surface of municipal sewage sludge, which offers a new way of solving waste municipal sewage sludge disposal problem and of producing high-activity photocatalyst. The nanocomposite was characterized by SEM, X-ray diffraction, and UV–Vis DRS. Results showed that the new nanocomposite was better than the original TiO2 catalyst. Using the proposed method in this study, the target contaminant can be removed by up to 97% after 30 min of irradiation in natural sunlight, whereas the surfactant loss was only 27%.

Zeyu Zhou; Yaxin Zhang; Hongtao Wang; Tan Chen; Wenjing Lu



Laser cladding Al-Si/Al2O3-TiO2 composite coatings on AZ31B magnesium alloy  

Science Journals Connector (OSTI)

To improve the wear resistance and corrosion resistance of magnesium alloys, a 5 kW continuous wave CO2 laser was used to investigate the laser surface cladding on AZ31B magnesium alloys with Al-Si/...2O3 -TiO2.....

Zeqin Cui ???; Hongwei Yang…



Phase Transitions and High-Voltage Electrochemical Behavior of LiCoO2 Thin Films Grown by Pulsed Laser Deposition  

E-Print Network [OSTI]

Laser Deposition H. Xia,a L. Lu,b,z Y. S. Meng,c and G. Cederc, * a Advanced Materials for Micro behavior of LiCoO2 thin-film cathodes prepared by pulsed laser deposition are studied for charging voltages- discharge curves. Ex situ X-ray diffraction measurements confirm structural changes and a phase transition

Ceder, Gerbrand


Effect of plasma treatments on interface chemistry and adhesion strength between porous SiO2 low-k film and SiC/SiN layers  

Science Journals Connector (OSTI)

In this study, the interface chemistry and adhesion strengths between porous SiO"2 low-dielectric-constant film and SiN capping layer as well as SiC etch stop layer have been investigated under different plasma treatments. Elements of Si, O, and N constructed ... Keywords: Bonding configuration, Dielectrics, Interface adhesion

Shou-Yi Chang; Yi-Chung Huang



Influence of nano-ZrO2 on the mechanical and thermal properties of high temperature cementitious thermal energy storage materials  

Science Journals Connector (OSTI)

Abstract The mechanical and thermal properties of high temperature aluminate cementitious thermal energy storage materials modified with nano-ZrO2 are investigated. The influence of nano-ZrO2 amounts on the performance, such as compressive strength, thermal conductivity, volume heat capacity, and thermal expansion coefficient, of hardened composite cement pastes were studied for future solar thermal energy materials with better performance. It is observed that before heating the pore structure and compressive strength are both optimized at the optimum nano-ZrO2 amount of 1 wt%. At the same time, thermal conductivity and volume heat capacity of the composite paste enriched with nano-ZrO2 improved after heating at 350 and 900 °C compared with that of pure paste, which is very favorable for high thermal storage materials application. XRD, TG–DSC, FTIR, and MIP were used to characterize the mineral phases, the hydration/dehydration evolution, the chemical bonding, and the pore structures of the hydration products, respectively.

Huiwen Yuan; Yu Shi; Zhongzi Xu; Chunhua Lu; Yaru Ni; Xianghui Lan



Na2WO4/Co–Mn/SiO2 Catalyst for the Simultaneous Production of Ethylene and Syngas from CH4  

Science Journals Connector (OSTI)

Na2WO4/Co–Mn/SiO2...catalyst was prepared and used for the simultaneous production of ethylene and syngas from CH4. A CH4 conversion of 38% and a yield of 21% for (C2H4 + CO), with a C2H4/CO/H2 ratio of 1/0.7/0.7...

Jingjing Wu; Song Qin; Changwei Hu



Rapid Charge Transport in Dye-Sensitized Solar Cells Made from Vertically Aligned Single-Crystal Rutile TiO2 Nanowires  

SciTech Connect (OSTI)

A rapid solvothermal approach was used to synthesize aligned 1D single-crystal rutile TiO2 nanowire (NW) arrays on transparent conducting substrates as electrodes for dye-sensitized solar cells. The NW arrays showed a more than 200 times faster charge transport (see picture) and a factor four lower defect state density than conventional rutile nanoparticle films.

Feng, X.; Zhu, K.; Frank, A. J.; Grimes, C. A.; Mallouk, T. E.



Electrochemical behaviors of co-deposited Pb/Pb–MnO2 composite anode in sulfuric acid solution – Tafel and EIS investigations  

Science Journals Connector (OSTI)

The oxygen evolution kinetics and anodic layer properties of Pb/Pb–MnO2 composite anode during the 72 h galvanostatic electrolysis in H2SO4 solution were investigated with Quasi-stationary polarization (Tafel) and Electrochemical Impedance Spectroscopy (EIS) techniques. The results revealed that the anodic activity and reaction kinetics varied a lot during the electrolysis for it is a process indicating the formation and stabilization of anodic layer. At the very beginning of electrolysis, the composite anode exhibited very high oxygen evolution activity since the reaction was controlled by the transformation step of intermediates. Then, its oxygen evolution activity was largely diminished and the rate determination step (rds) became the formation and adsorption of first intermediate, S–OHads. In the prolonged electrolysis, the anodic potential gradually decreased and the final stable value was comparable to industrial Pb–Ag (1.0%) anode. On the stable anodic layer after 72 h, the oxygen evolution reaction (OER) was still controlled by the formation and adsorption of intermediate, and the adsorption resistance took a dominant part in the whole impedance. Besides, compared with Pb–Ag and Pb anode, although OER at the stable state were all controlled by the intermediate adsorption process, the adsorption resistance of Pb/Pb–MnO2 anode was much smaller than the other two due to the existence of MnO2 particles and large amount of ?-PbO2 in the stable anodic layer.

Yanqing Lai; Yuan Li; Liangxing Jiang; Wang Xu; Xiaojun Lv; Jie Li; Yexiang Liu


Note: This page contains sample records for the topic "rpd-sc iot o-2" from the National Library of EnergyBeta (NLEBeta).
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to obtain the most current and comprehensive results.


Morphology change of oxygen-restructured TiO2,,110... surfaces by UHV annealing: Formation of a low-temperature ,,12... structure  

E-Print Network [OSTI]

Morphology change of oxygen-restructured TiO2,,110... surfaces by UHV annealing: Formation of a low microscopy images of the strands are consistent with the added- Ti2O3-row model. UHV annealing of oxygen. Restructured surfaces are annealed in ul- trahigh vacuum UHV at temperatures between 620 and 830 K. The surface

Diebold, Ulrike


A Novel Combustion Synthesis Preparation of CuO/ZnO/ZrO2/Pd for Oxidative Hydrogen Production from Methanol  

E-Print Network [OSTI]

cells using hydrogen as fuel are efficient, quiet, and have near zero harmful emissions. Elemental fuel cells that use precious metal catalysts such as platinum require hydrogen fuel which contains lessA Novel Combustion Synthesis Preparation of CuO/ZnO/ZrO2/Pd for Oxidative Hydrogen Production from

Mukasyan, Alexander


Group velocities in coplanar strip transmission lines on Si and Si/SiO2 /Si substrates measured using differential electro-optic sampling  

E-Print Network [OSTI]

Group velocities in coplanar strip transmission lines on Si and Si/SiO2 /Si substrates measured 1996; accepted for publication 26 August 1996 The group velocities in coplanar strip transmission lines-9 Velocity measurements have been previously carried out for coplanar transmission lines on a variety


An Integrated Power Pack of Dye-Sensitized Solar Cell and Li Battery Based on Double-Sided TiO2 Nanotube Arrays  

E-Print Network [OSTI]

is based on a silicon solar panel and a solid-state lithium battery as the two independent parts, whichAn Integrated Power Pack of Dye-Sensitized Solar Cell and Li Battery Based on Double-Sided TiO2 harvest and storage processes. This power pack incorporates a series-wound dye- sensitized solar cell

Wang, Zhong L.


A pilot scale study on co-capture of SO2 and NO x in O2/CO2 recycled coal combustion and techno-economic evaluation  

Science Journals Connector (OSTI)

This paper presents the study on co-capture of SO2 and NO x in O2/CO2 recycled coal combustion in a pilot scale facility with ... 0.3 MW by using high-sulphur lean coal. Detaile...

Chun Zou; ZhiJun Huang; Jie Xiong; Peng Guo…



Optimization of the Catalytic Chemical Vapor Deposition Synthesis of Multiwall Carbon Nanotubes on FeCo(Ni)/SiO2 Aerogel Catalysts by Statistical Design of Experiments  

Science Journals Connector (OSTI)

We report on optimizing the catalytic chemical vapor deposition synthesis of multiwall carbon nanotubes (MWCNTs) from ethene over supported transition metal SiO2 nanocomposite aerogels using the statistical design of experiments (DOE) approach. ... The NIST/SEMATECH e-Handbook of Statistical Methods, http://www.itl.nist.gov/div898/handbook/ is acknowledged for DoE-related information. ...

László Vanyorek; Danilo Loche; Hajnalka Katona; Maria Francesca Casula; Anna Corrias; Zoltán Kónya; Ákos Kukovecz; Imre Kiricsi



Conversion of CH4 into H2 at 300 C using Pd/MnO2 catalyst made with an effect of water oxidation  

SciTech Connect (OSTI)

A novel electricity-free deposition of palladium on the surface of manganese dioxide, which has a crystal structure of ramsdellite, was studied. Using the Pd deposition, a nano-particle of Pd/MnO2 was prepared, and it was used for a catalytic performance for reforming methane into hydrogen at 300 C.

Koyanaka, Hideki [Forward Science Laboratory Ltd, Oita, Japan] [Forward Science Laboratory Ltd, Oita, Japan; Takeuchi, K [Tokyo University of Science, Oshamanbe Hokkaido, Japan] [Tokyo University of Science, Oshamanbe Hokkaido, Japan; Kolesnikov, Alexander I [ORNL] [ORNL



Synthesis and characterization of silver/lithium cobalt oxide (Ag/LiCoO2) nanofibers via sol–gel electrospinning  

Science Journals Connector (OSTI)

Abstract We report on the preparation and characterization of Ag/LiCoO2 nanofibers (NFs) via the sol–gel electrospinning (ES) technique. Ag nanoparticles (NPs) were produced in an aqueous polyvinyl pyrrolidone (PVP) solution by using AgNO3 precursor. A viscous lithium acetate/cobalt acetate/polyvinylalcohol/water (LiAc/(CoAc)2/PVA/water) solution was prepared separately. A Ag NPs/PVP/water solution was prepared and added to this viscous solution and magnetically stirred to obtain the final homogeneous electrospinning solution. After establishing the proper electrospinning conditions, as-spun precursor Ag/LiAc/Co(Ac)2/PVA/PVP \\{NFs\\} were formed and calcined in air at a temperature of 600 °C for 3 h to form well-crystallized porous Ag/LiCoO2 NFs. Various analytical characterization techniques such as UV–vis, SEM, TEM, TGA, XRD, and XPS were performed to analyze Ag NPs, as-spun and calcined NFs. It was established that Ag \\{NPs\\} in the precursor Ag/LiAc/Co(Ac)2/PVA/PVP \\{NFs\\} are highly self-aligned as a result of the behavior of Ag in the electric field of the electrospinning setup and the interaction of Ag ions with Li and Co ions in the NF. Ag/LiCoO2 \\{NFs\\} exhibit a nanoporous structure compared with un-doped LiCoO2 \\{NFs\\} because the atomic radius of Ag is larger than the radius of Co and Li ion; thus, no substitution between Ag and Li or Ag and Co atoms occurs, and Ag \\{NPs\\} are located at the interlayer of LiCoO2 while some are left in the fiber.

Yakup Aykut; Behnam Pourdeyhimi; Saad A. Khan



Photo-, Bio-, and Magneto-active Colored Polyester Fabric with Hydrophobic/Hydrophilic and Enhanced Mechanical Properties through Synthesis of TiO2/Fe3O4/Ag Nanocomposite  

Science Journals Connector (OSTI)

(9-12) Reducing the photo yellowing of wool, obtaining self-cleaning wool fabrics, nano-photo-scouring, and nano-photobleaching of cotton and wool fabrics, enhancing nano-TiO2 adsorption on the blend of wool/polyester by biofinishing and producing polyester fabrics with simultaneous self-cleaning, antimicrobial, and UV protection properties, free carrier dyeing of nano-TiO2 treated polyester fabric, mothproofing of wool fabric by treatment with nano-TiO2 and sono-synthesis of TiO2 nanoparticles on cotton fabric producing self-cleaning and UV protection properties are some of the major applications of nano-TiO2 particles in textiles. ... (20, 21) The photoinduced silver on nano-titanium dioxide was reported as an enhanced antimicrobial agent for wool fabric. ... Montazer, M.; Morshedi, S.Nano Photo Scouring and Nano Photo Bleaching of Raw Cellulosic Fabric Using Nano TiO2 Int. ...

Tina Harifi; Majid Montazer



On the mechanism of the reverse water gas shift reaction: Dynamic TAP reactor studies of the oxidizing capability of CO2 on a Au/CeO2 catalyst  

E-Print Network [OSTI]

of the oxidizing capability of CO2 on a Au/CeO2 catalyst L.C. Wang, M. Tahvildar Khazaneh, D. Widmann, and R the role of the redox mechanism, was investigated by exploring the activity of CO2 for Au assisted CeO2 that the surface reduced Au/CeO2 catalyst can be (partially) re-oxidized by exposure to CO2 pulses, and the surface

Pfeifer, Holger


Role of dopant incorporation on the magnetic properties of Ce1-xNixO2 nanoparticles: An electron paramagnetic resonance study  

SciTech Connect (OSTI)

Nickel doping has been found to produce weak room-temperature ferromagnetism in CeO2 [1]. The saturation magnetization of the chemically synthesized Ce1-xNixO2 samples showed a maximum for x = 0.04, above which the magnetization decreased gradually. For Ce1-xNixO2 samples with x ? 0.04, an activation process involving slow annealing of the sample to 500 oC increased the saturation magnetization by more than two orders of magnitude [1]. However, no such activation effect was observed in samples with x < 0.04. Electron paramagnetic resonance (EPR), a sensitive technique to investigate the ionic states and local environments and interactions, has been used here in this work to investigate (i) why the ferromagnetic behavior gradually weakened and disappeared for x > 0.04 and (ii)_what causes the saturation magnetization to dramatically increase in the activated Ce1-xNixO2 samples with x ? 0.04 and why this process is absent in samples with x < 0.04. Our X-band (~9.4 GHz) EPR experiments and detailed simulation analysis on several as-prepared Ce1-xNixO2 samples with 0.01 ? x ? 0.10 at 5 K and 300 K indicate the presence of two magnetically inequivalent Ni2+ ions with the ionic spin of 1, one Ce3+ ion with spin ½, and three O2-. Spectra of samples with x < 0.04 are dominated by a single Ni2+ EPR line ascribed to dopant ions in substitutional sites whereas in samples with x ? 0.04, an additional signal attributed to Ni2+ ions in interstitial sites is also present. In the activated sample, the EPR line due to the interstitial Ni2+ is completely absent and only the lines due to substituional Ni2+ ions are present suggesting that the enhanced ferromagnetism results from conversion of interstitial Ni2+ ions to substitutional sites.

Misra, S. K.; Andronenko, S. I.; Engelhard, Mark H.; Thurber, Aaron P.; Reddy, K. M.; Punnoose, Alex



Comparison of the Photodesorption Activities of cis-Butene, trans-Butene and Isobutene on the Rutile TiO2(110) Surface  

SciTech Connect (OSTI)

The chemical and photochemical properties of three butene molecules (cis-butene, trans-butene and isobutene) were explored on the clean rutile TiO2(110) surface using temperature programmed desorption (TPD) and photon simulated desorption (PSD). At the low coverage limit, trans-butene was the most strongly bound butene on the TiO2(110) surface, desorbing at ~ 210 K, however increased intermolecular repulsions between trans-butene molecules at higher coverage diminished its binding. Both cis-butene and isobutene saturated the first layer on TiO2(110) at a coverage of ~0.50 ML in a single TPD feature at 184 and 192 K, respectively. In contrast, the maximum coverage that trans-butene could achieve in its 210 K peak was ~1/3 ML, with higher coverages resulting a low temperature desorption at ~137 K. Coverages of these molecules above 0.50 ML resulted in population of second layer and multilayer states. The instability of trans-butene at a coverage of 0.5 ML on the surface was linked to the inversion center in its symmetry. In the absence of coadsorbed oxygen, the primary photochemical pathway of each butene molecule on TiO2(110) was photodesorption. The photoactivities of these molecules on TiO2(110) at an initial coverage of 0.50 ML followed the trend: isobutene > cis-butene > trans-butene. In contrast, the photoactivities of low coverages of cis-butene and trans-butene exceeded those measured at 0.50 ML. These data suggest that intermolecular interactions (repulsions) play a significant role in diminishing the photoactivities of weakly bound molecules on TiO2 photocatalysts. Work reported here was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Chemical Sciences, Geosciences, and Biosciences, and performed in the Williams R. Wiley Environmental Molecular Science Laboratory (EMSL), a Department of Energy user facility funded by the Office of Biological and Environmental Research. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for the U.S. Department of Energy by the Battelle Memorial Institute under contract DEAC05-76RL01830.

Henderson, Michael A.



Fabrication and electrical properties of La8.33Sb(SiO4)6O2 thick films for solid oxide fuel cells  

Science Journals Connector (OSTI)

In this study Sb-substituted La8.33Sb(SiO4)6O2 apatite thick films were fabricated by using a screen printing method and the structural and electrical properties of these materials with variation in sintering temperature for solid oxide fuel cells were investigated. With increased sintering temperatures the second phase La2SiO5 phase decreased and the specimens sintered at over 1350?°C showed typical X-ray diffraction patterns of apatite polycrystalline structure. The grain size increased and porosity decreased with increasing sintering temperatures. The thickness of all films was approximately 25–30??m. La8.33Sb(SiO4)6O2 thick films sintered at 1350?°C showed good conductivity and activation energy characteristics at 9.87?×?10?5 S cm?1and 1.24?eV respectively.

Dae-Young Kim; Sung-Gap Lee



Free-Standing Na2/3Fe1/2Mn1/2O2@Graphene Film for a Sodium-Ion Battery Cathode  

Science Journals Connector (OSTI)

Free-Standing Na2/3Fe1/2Mn1/2O2@Graphene Film for a Sodium-Ion Battery Cathode ... Graphene is a well-known material endowed with numerous advantages that have led to its extensive use as a conductive additive in Li-ion batteries, including superior electronic conductivity, a large surface area, and excellent mechanical strength. ...

Hongli Zhu; Kang Taek Lee; Gregory Thomas Hitz; Xiaogang Han; Yuanyuan Li; Jiayu Wan; Steven Lacey; Arthur von Wald Cresce; Kang Xu; Eric Wachsman; Liangbing Hu



First-Principles Calculations of the Pressure Stability and Elasticity of Dense TiO2 Phases Using the B3LYP Hybrid Functional  

Science Journals Connector (OSTI)

First-Principles Calculations of the Pressure Stability and Elasticity of Dense TiO2 Phases Using the B3LYP Hybrid Functional ... (41) The reciprocal space integration was carried out by sampling the Brillouin zone using an 8 × 8 × 8 Monkhorst–Pack grid. ... Computations were carried out at the National Computational Infrastructure – National Facility of Australia (http://nf.nci.org.au/). ...

Varghese Swamy; Nicholas C. Wilson



Strength and Elasticity of SiO2 across the StishoviteCaCl2-type Structural Phase Boundary Sean R. Shieh* and Thomas S. Duffy  

E-Print Network [OSTI]

Strength and Elasticity of SiO2 across the Stishovite­CaCl2-type Structural Phase Boundary Sean R and to decrease sharply as the stishovite­CaCl2-type phase transition boundary is approached. Inversion to an orthorhombic CaCl2-type struc- ture at 50 3 GPa on the basis of theoretical calculations [8­11], Raman

Duffy, Thomas S.


Catalytic epoxidation of propene with H2OO2 reactants on Au/TiO2w Manuel Ojeda and Enrique Iglesia*  

E-Print Network [OSTI]

was obtained from Degussa (P25, anatase/rutile B4). Propene (4 kPa, Praxair, UHP) epoxidation rates and selectivity were measured using O2 (4 kPa, Praxair, UHP) at 350 K in the presence and absence of H2 (4 kPa, 99.999%, Praxair) or H2O (0­12 kPa) using a tubular flow reactor with plug-flow hydrodynamics (He was used

Iglesia, Enrique


Catalytic conversion of glucose to 5-hydroxymethylfurfural (HMF) using nano-POM/nano-ZrO2/nano-?-Al2O3  

Science Journals Connector (OSTI)

Abstract An efficient process for the conversion of glucose into 5-hydroxymethylfurfural (HMF) was studied in various solvents. Nano-POM/nano-ZrO2/nano-?-Al2O3 catalysts were prepared and characterized by N2 physical adsorption, FTIR, X-ray diffraction and scanning electron microscopic techniques. The reaction time, reaction temperature and catalyst reuse cycle toward the reaction performance were investigated in detail. An HMF yield of 60.1% was achieved at 190 °C for 4 h.

Abbas Teimouri; Mitra Mazaheri; Alireza Najafi Chermahini; Hossein Salavati; Fariborz Momenbeik; Mahmoud Fazel-Najafabadi



Reactive ion beam etching of silicon with a new plasma ion source operated with CF4 : SiO2 over Si selectivity and Si surface modification  

E-Print Network [OSTI]

295 Reactive ion beam etching of silicon with a new plasma ion source operated with CF4 : SiO2 over-SIRE - alimenté en gaz CF4 pur. Ils concernent la silice et le silicium monocristallin et démontrent que les actuels sous plasmas CHF3 ou CF4/H2, pour lesquels les dommages induits par l'hydrogène sont bien connus

Paris-Sud XI, Université de


Characterization and cathode performance of Li1 ? xNi1 + xO2 prepared with the excess lithium method  

Science Journals Connector (OSTI)

Samples of Li1 ? zNi1 + xO2 with various x values were synthesized and their electrochemical properties, phase transitions, and ordering phenomena were investigated comparatively. In order to synthesize samples with a small x value, an excess lithium was used as a starting material to compensate for lithium loss during the calcination process. A stoichiometric sample with a large reversible capacity of more than 200 mAh g?1 is also described.

H. Arai; S. Okada; H. Ohtsuka; M. Ichimura; J. Yamaki