National Library of Energy BETA

Sample records for atmospheric oxygen o2

  1. Using the Oxygen Plasma Machine 1. Turn on the O2 (g) valve on the wall.

    E-Print Network [OSTI]

    Using the Oxygen Plasma Machine 1. Turn on the O2 (g) valve on the wall. 2. Turn on the O2 inlet valve on the front of the machine just a tiny-bit ­ O2 should now be leaking through the black, chamber-right of the machine), just the Red Power Switch. 6. Turn off the O2 valve on the chamber door. At the same time, turn

  2. Shipboard Atmospheric O2 Measurements in the Equatorial Pacific

    E-Print Network [OSTI]

    Stephens, Britton B.

    of equatorial O2 and CO2 outgassing in these models, the lack of a seasonal marine O2 rectifier in these models of DIC and preformed nutrients and the strong air-sea heat fluxes lead to a net outgassing of O2 and CO2

  3. 6.11 Atmospheric CO2 and O2 During the Phanerozoic: Tools, Patterns, and Impacts

    E-Print Network [OSTI]

    Royer, Dana

    6.11 Atmospheric CO2 and O2 During the Phanerozoic: Tools, Patterns, and Impacts DL Royer, Wesleyan.11.2 Models for Atmospheric CO2 and O2 Estimation 251 6.11.2.1 Key Principles 251 6.11.2.2 GEOCARB Models 252.11.2.2.5 Estimates of CO2 and O2 from the GEOCARB model 254 6.11.2.3 Other Models for CO2 and O2 Reconstruction 254 6

  4. Shipboard Atmospheric O2 Measurements in the Southern Ocean

    E-Print Network [OSTI]

    Stephens, Britton B.

    outgassing on the atmospheric gradients at this latitude and time of year. This CO2 outgassing is in contrast

  5. Atmospheric Pressure Chemical Vapor Deposition of High Silica SiO2-TiO2 Antireflective Thin Films for Glass Based Solar Panels

    SciTech Connect (OSTI)

    Klobukowski, Erik R; Tenhaeff, Wyatt E; McCamy, James; Harris, Caroline; Narula, Chaitanya Kumar

    2013-01-01

    The atmospheric pressure chemical vapor deposition (APCVD) of SiO2-TiO2 thin films employing [[(tBuO)3Si]2O-Ti(OiPr)2], which can be prepared from commercially available materials, results in antireflective thin films on float glass under industrially relevant manufacturing conditions. It was found that while the deposition temperature had an effect on the SiO2:TiO2 ratio, the thickness was dependent on the time of deposition. This study shows that it is possible to use APCVD employing a single source precursor containing titanium and silicon to produce thin films on float glass with high SiO2:TiO2 ratios.

  6. Mechanism of Na2SO4-induced corrosion of molybdenum containing nickel-base superalloys at high temperatures. I. Corrosion in atmospheres containing O2 only. II. Corrosion in O2 + SO2 atmospheres

    SciTech Connect (OSTI)

    Misra, A.K.

    1986-05-01

    Kinetics of the Na2SO4-induced corrosion of the molybdenum-containing nickel-base superalloys, B-1900 and Udimet 700, coated with Na2MoO4, has been studied in oxygen atmosphere at temperatures ranging from 750 to 950 C. Because the gas turbine atmosphere always contains some SO2 and SO3, the effect of atmospheric SO2 content on corrosion of Udimet-700 has also been studied. It was found that in the O2 atmosphere the melt in the catastrophic corrosion phase consists of Na2MoO4 plus MoO3, with the onset of the catastrophic corrosion coinciding with the appearance of MoO3. In the presence of low levels of atmospheric SO2 (below 0.24 percent), the melt during catastrophic corrosion contains, in addition to Na2MoO4 and MoO3, some quantities of Na2SO4. At the levels of SO2 above 1 percent, no catastrophic corrosion was observed. At these SO2 levels, internal sulfidation appears to be the primary mode of degradation. 40 references.

  7. PTFE treatment by remote atmospheric Ar/O2 plasmas: a simple reaction scheme model proposal

    E-Print Network [OSTI]

    Carbone, E A D; Keuning, W; van der Mullen, J J A M

    2013-01-01

    Polytetrafluoroethylene (PTFE) samples were treated by a remote atmospheric pressure microwave plasma torch and analyzed by water contact angle (WCA) and X-ray photoelectron spectroscopy (XPS). In the case of pure argon plasma a decrease of WCA is observed meanwhile an increase of hydrophobicity was observed when some oxygen was added to the discharge. The WCA results are correlated to XPS of reference samples and the change of WCA are attributed to changes in roughness of the samples. A simple kinetics scheme for the chemistry on the PTFE surface is proposed to explain the results.

  8. Oxygen and CO Adsorption on Au/SiO2 Catalysts Prepared by Magnetron Sputtering: The Role of Gold Subsurface

    SciTech Connect (OSTI)

    Zheng, Xiaolin [Washington University, St. Louis; Veith, Gabriel M [ORNL; Redekop, Evgeniy [Washington University, St. Louis; Lo, Cynthia [Washington University, St. Louis; Yablonsky, Gregory [Washington University, St. Louis; Madix, Robert J [Harvard University; Friend, Cynthia [Harvard University; Gleaves, John t [Washington University, St. Louis

    2010-01-01

    Temporal Analysis of Products (TAP) reactor system is used to investigate CO oxidation behavior on Au/SiO2 catalysts prepared via the physical vapor deposition method magnetron sputtering. Au/SiO2 catalysts are a valuable model system for studying the reactivity of Au nanoparticles, since the SiO2 support plays little role in the reaction. The adsorption of CO on the catalyst was studied under TAP vacuum conditions and at different temperatures. The heat of CO adsorption estimated from TAP results by moment analysis is -23.9 kJ/mol which is high compared to heat of CO adsorption reported by other TAP groups studying Au/TiO2 catalysts [29]. The reaction over the catalyst pretreated with oxygen under different pretreatment pressures (vacuum pressures to 33.66 psia) was studied under TAP vacuum conditions via CO titration. It was found that the amount of oxygen available on the surface for CO oxidation is proportional to the pretreatment pressure.

  9. Titania may produce abiotic oxygen atmospheres on habitable exoplanets

    E-Print Network [OSTI]

    Narita, Norio; Masaoka, Shigeyuki; Kusakabe, Nobuhiko

    2015-01-01

    The search for habitable exoplanets in the Universe is actively ongoing in the field of astronomy. The biggest future milestone is to determine whether life exists on such habitable exoplanets. In that context, oxygen in the atmosphere has been considered strong evidence for the presence of photosynthetic organisms. In this paper, we show that a previously unconsidered photochemical mechanism by titanium(IV) oxide (titania) can produce abiotic oxygen from liquid water under near ultraviolet (NUV) lights on the surface of exoplanets. Titania works as a photocatalyst to dissociate liquid water in this process. This mechanism offers a different source of a possibility of abiotic oxygen in atmospheres of exoplanets from previously considered photodissociation of water vapor in upper atmospheres by extreme ultraviolet (XUV) light. Our order-of-magnitude estimation shows that possible amounts of oxygen produced by this abiotic mechanism can be comparable with or even more than that in the atmosphere of the current ...

  10. Calculation of TiO2 Surface and Subsurface Oxygen Vacancy by the Screened Exchange Functional

    E-Print Network [OSTI]

    Li, Hongfei; Guo, Yuzheng; Robertson, John

    2015-07-20

    . M.; Lu, G. Q., Anatase TiO2 Single Crystals with a Large Percentage of Reactive Facets. Nature 2008, 453, 638-641. 14 Thomas, A. G.; Flavell, W. R.; Mallick, A. K.; Kumarasinghe, A. R.; Tsoutsou, D.; Khan, N.; Chatwin, C.; Rayner, S.; Smith, G. C...

  11. Oxygen-tolerant proton reduction catalysis: much O_2 about nothing?

    E-Print Network [OSTI]

    Wakerley, David W.; Reisner, Erwin

    2015-05-29

    - based system that drove photocatalysis of 1A could be a result of O2? ? formation with concomitant desorption or decomposition of the Ru dye or catalyst.87 Following on from the cobaloxime system, a Co corrole catalyst synthesised by the Dey group...

  12. Maintaining Low Oxygen (O2) in Coal Fueled Utility Boilers Using CO Instrumentation 

    E-Print Network [OSTI]

    Hopkins, D.; Downing, T.

    1986-01-01

    Following evaluation of various CO monitors and close attention to the boiler operating conditions, Southwestern Public Service Company has been successful in reducing the operating level of oxygen in Unit #1 at Tolk ...

  13. The PMMA opal film was infiltrated with SiO2 using a homemade CVD setup operating at atmospheric pressure and room temperature

    E-Print Network [OSTI]

    The PMMA opal film was infiltrated with SiO2 using a homemade CVD setup operating at atmospheric. HRSEM was used to observe the alterations in the opal structure. Before examination, samples had been

  14. Plants, Weathering, and the Evolution of Atmospheric Carbon Dioxide and Oxygen

    SciTech Connect (OSTI)

    Berner, Robert A

    2008-02-05

    Over the past six years we have published 24 papers that can be divided into three sections: (1) Study of plants and weathering, (2) modeling the evolution of atmospheric CO2 over Phanerozoic time (past 550 million years). (3) Modeling of atmospheric O2 over Phanerozoic time. References to papers published acknowledging this grant can be found at the end of this report and almost all are supplied in pdf form. (1) In the temperate forests of the Cascade Mountains, USA, calcium and magnesium meet vastly different fates beneath angiosperms vs gymnosperms. Calcium is leached beneath both groves of trees, but leached 20-40% more beneath the angiosperms. Magnesium is retained in the forest system beneath the angiosperms and leached from beneath the gymnosperms. (2) We have shown that climate and CO2, based on both carbon cycle modeling and hundreds of independent proxies for paleo-CO2, correlate very well over the past 550 million year. In a recent paper we use this correlation to deduce the sensitivity of global mean temperature to a doubling of atmospheric CO2, and results are in excellent agreement with the results of climatologists based on the historical record and on theoretical climate models (GCM’s).(3) We have shown that concentrations of atmospheric oxygen, calculated by a combined carbon-sulfur cycle model, over the past 550 million years have varied with and influenced biological evolution.

  15. Probing the photochemistry of chemisorbed oxygen on TiO2(110) with Kr and other co-adsorbates

    SciTech Connect (OSTI)

    Petrik, Nikolay G.; Kimmel, Gregory A.

    2014-02-14

    Weakly bound (physisorbed) atoms and molecules such as Ar, Kr, Xe, CO, CH4, CH3OH, CO2 and N2 are used to probe the photochemical interactions of O2 on rutile TiO2(110). UV irradiation of chemisorbed O2 along with the physisorbed probe species leads to photon-stimulated desorption (PSD) of Ar, Kr, CO, CH4 and N2. Without co-adsorbed O2, the PSD yields of the probe species are very low or not observed. No PSD was observed for CO2, N2O, CH3OH and the PSD yield for Xe is very low compared to the other probe atoms or molecules. The angular distribution of the photo-desorbing Kr, which is broad and cosine, is quite different from the O2 PSD angular distribution, which is sharply peaked along the surface normal. The Kr PSD yields increase with increasing coverage of Kr and of chemisorbed O2. We propose a mechanism for the observed phenomena where the chemisorbed O2 serves as photoactive center, excited via electronic excitations (electrons and/or holes) created in the TiO2 substrate by UV photon irradiation. The photo-excited O2 may transfer its energy to neighboring co-adsorbed atom or molecule resulting in desorption of the latter. Simple momentum transfer considerations suggest that heavier adsorbates (like Xe) and adsorbates with higher binding energy (like CO2) should desorb less efficiently according to the proposed mechanism. Various forms of chemisorbed O2 appeared photoactive in such stimulated desorption of Kr atoms: molecular anions (O22-, O2-), adatoms (Oa), and others. The observed phenomenon provides a new tool for study of photocatalysis.

  16. Mathematical Analysis of High-Temperature Co-electrolysis of CO2 and O2 Production in a Closed-Loop Atmosphere Revitalization System

    SciTech Connect (OSTI)

    Michael G. McKellar; Manohar S. Sohal; Lila Mulloth; Bernadette Luna; Morgan B. Abney

    2010-03-01

    NASA has been evaluating two closed-loop atmosphere revitalization architectures based on Sabatier and Bosch carbon dioxide, CO2, reduction technologies. The CO2 and steam, H2O, co-electrolysis process is another option that NASA has investigated. Utilizing recent advances in the fuel cell technology sector, the Idaho National Laboratory, INL, has developed a CO2 and H2O co-electrolysis process to produce oxygen and syngas (carbon monoxide, CO and hydrogen, H2 mixture) for terrestrial (energy production) application. The technology is a combined process that involves steam electrolysis, CO2 electrolysis, and the reverse water gas shift (RWGS) reaction. A number of process models have been developed and analyzed to determine the theoretical power required to recover oxygen, O2, in each case. These models include the current Sabatier and Bosch technologies and combinations of those processes with high-temperature co-electrolysis. The cases of constant CO2 supply and constant O2 production were evaluated. In addition, a process model of the hydrogenation process with co-electrolysis was developed and compared. Sabatier processes require the least amount of energy input per kg of oxygen produced. If co-electrolysis replaces solid polymer electrolyte (SPE) electrolysis within the Sabatier architecture, the power requirement is reduced by over 10%, but only if heat recuperation is used. Sabatier processes, however, require external water to achieve the lower power results. Under conditions of constant incoming carbon dioxide flow, the Sabatier architectures require more power than the other architectures. The Bosch, Boudouard with co-electrolysis, and the hydrogenation with co-electrolysis processes require little or no external water. The Bosch and hydrogenation processes produce water within their reactors, which aids in reducing the power requirement for electrolysis. The Boudouard with co-electrolysis process has a higher electrolysis power requirement because carbon dioxide is split instead of water, which has a lower heat of formation. Hydrogenation with co-electrolysis offers the best overall power performance for two reasons: it requires no external water, and it produces its own water, which reduces the power requirement for co-electrolysis.

  17. 15N2 formation and fast oxygen isotope exchange during pulsed 15N18O exposure of MnOx/CeO2

    SciTech Connect (OSTI)

    Kwak, Ja Hun; Szanyi, Janos

    2014-12-23

    Pulsing 15N18O onto an annealed 1% Mn16Ox/Ce16O2 catalyst resulted in very fast oxygen isotope exchange and 15N2 formation at 295 K. In the 1st 15N18O pulse, due to the presence of large number of surface oxygen defects, extensive 15N218O and 15N2 formations were observed. In subsequent pulses oxygen isotope exchange dominated as a result of highly labile oxygen in the oxide. We gratefully acknowledge the US Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy/Vehicle Technologies Program for the support of this work. The research described in this paper was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle.

  18. Propane reacts with O2 and H2 on gold supported TS-1 to form oxygenates with high selectivity

    E-Print Network [OSTI]

    Bravo Suarez, Juan J.

    2008-06-13

    Gold nanoparticles supported on a microporous titanosilicate (TS-1) were found to be highly selective (95%) towards the formation of acetone and isopropanol from propane, O2, and H2 at moderate temperatures (443 K)....

  19. JOURNAL OF MATERIALS SCIENCE LETTERS 17 (1998) 20832086 Effect of oxygen plasma treatment on SiO2 aerogel lms

    E-Print Network [OSTI]

    Jo, Moon-Ho

    1998-01-01

    aerogel ®lms H.-H. PARK, M.-H. JO, H.-R. KIM, S.-H. HYUN Department of Ceramic Engineering, Yonsei with a lower dielectric constant material as an intermetal dielectric (IMD). SiO2 aerogel is a promising aerogel ®lm with 70% porosity exhibited the static dielectric constant of 2 at 1 MHz, and a leakage

  20. DISSOCIATIVE CHARGE EXCHANGE AND IONIZATION OF O2 BY FAST H+ ENERGETIC ION INTERACTIONS IN EUROPA'S OXYGEN

    E-Print Network [OSTI]

    Johnson, Robert E.

    ABSTRACT Measurements of electron capture and ionization of O2 molecules in collisions with H+ and O+ ions to Oþ 2 product formation are shown to be dominant for both the H+ and the O+ projectiles in the capture, and sulfur ions (Cooper et al. 2001; Paranicas et al. 2002). Collisions with these ions can lead

  1. Abiotic ozone and oxygen in atmospheres similar to prebiotic Earth

    SciTech Connect (OSTI)

    Domagal-Goldman, Shawn D.; Segura, Antígona; Claire, Mark W.; Robinson, Tyler D.; Meadows, Victoria S.

    2014-09-10

    The search for life on planets outside our solar system will use spectroscopic identification of atmospheric biosignatures. The most robust remotely detectable potential biosignature is considered to be the detection of oxygen (O{sub 2}) or ozone (O{sub 3}) simultaneous to methane (CH{sub 4}) at levels indicating fluxes from the planetary surface in excess of those that could be produced abiotically. Here we use an altitude-dependent photochemical model with the enhanced lower boundary conditions necessary to carefully explore abiotic O{sub 2} and O{sub 3} production on lifeless planets with a wide variety of volcanic gas fluxes and stellar energy distributions. On some of these worlds, we predict limited O{sub 2} and O{sub 3} buildup, caused by fast chemical production of these gases. This results in detectable abiotic O{sub 3} and CH{sub 4} features in the UV-visible, but no detectable abiotic O{sub 2} features. Thus, simultaneous detection of O{sub 3} and CH{sub 4} by a UV-visible mission is not a strong biosignature without proper contextual information. Discrimination between biological and abiotic sources of O{sub 2} and O{sub 3} is possible through analysis of the stellar and atmospheric context—particularly redox state and O atom inventory—of the planet in question. Specifically, understanding the spectral characteristics of the star and obtaining a broad wavelength range for planetary spectra should allow more robust identification of false positives for life. This highlights the importance of wide spectral coverage for future exoplanet characterization missions. Specifically, discrimination between true and false positives may require spectral observations that extend into infrared wavelengths and provide contextual information on the planet's atmospheric chemistry.

  2. Uranium in iron formations and the rise of atmospheric oxygen C.A. Partin a,

    E-Print Network [OSTI]

    Konhauser, Kurt

    Uranium in iron formations and the rise of atmospheric oxygen C.A. Partin a, , S.V. Lalonde b , N Paleoproterozoic Geochemical uranium cycle The concept of the Great Oxidation Event (GOE), during which atmospheric oxygenation through the record of uranium (U) concentrations in iron formations (IF). Just as IF are important

  3. Element- and charge-state-resolved ion energies in the cathodic arc plasma from composite AlCr cathodes in argon, nitrogen and oxygen atmospheres

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

    Franz, Robert; Polcik, Peter; Anders, André

    2015-06-01

    The energy distribution functions of ions in the cathodic arc plasma using composite AlCr cathodes were measured as a function of the background gas pressure in the range 0.5 to 3.5 Pa for different cathode compositions and gas atmospheres. The most abundant aluminium ions were Al+ regardless of the background gas species, whereas Cr2+ ions were dominating in Ar and N2 and Cr+ in O2 atmospheres. The energy distributions of the aluminium and chromium ions typically consisted of a high-energy fraction due to acceleration in the expanding plasma plume from the cathode spot and thermalised ions that were subjected tomore »collisions in the plasma cloud. The fraction of the latter increased with increasing background gas pressure. Atomic nitrogen and oxygen ions showed similar energy distributions as the aluminium and chromium ions, whereas the argon and molecular nitrogen and oxygen ions were formed at greater distance from the cathode spot and thus less subject to accelerating gradients. In addition to the positively charged metal and gas ions, negatively charged oxygen and oxygen-containing ions were observed in O2 atmosphere. The obtained results are intended to provide a comprehensive overview of the ion energies and charge states in the arc plasma of AlCr composite cathodes in different gas atmospheres as such plasmas are frequently used to deposit thin films and coatings.« less

  4. Crossed beam reaction of the phenyl radical, (C6H5, X2 with molecular oxygen O2; X3

    E-Print Network [OSTI]

    Kaiser, Ralf I.

    ) plus carbon monoxide (CO) (reac- tion (4)) [5]. However, experimental data on the reaction products of the combustion-relevant reaction of phenyl radicals with molecular oxygen were investigated in a crossed beam to its importance of incipient soot formation and also in the combustion processes of aromatic hydro

  5. Understanding oxygen photochemistry in CO2-dominated planetary atmospheres

    E-Print Network [OSTI]

    Strong, Kimberly

    of confidence in forecasting the temperature profile for the Martian atmosphere over the aerobraking region temperature, dust load, water concentrations, etc., on the vertical ii #12;structure of the emissions the NO airglow emission in the Mars atmosphere from the SPICAM instrument. The method is tested with one year

  6. MONTE CARLO SIMULATION OF METASTABLE OXYGEN PHOTOCHEMISTRY IN COMETARY ATMOSPHERES

    SciTech Connect (OSTI)

    Bisikalo, D. V.; Shematovich, V. I. [Institute of Astronomy of the Russian Academy of Sciences, Moscow (Russian Federation); Gérard, J.-C.; Hubert, B. [Laboratory for Planetary and Atmospheric Physics (LPAP), University of Liège, Liège (Belgium); Jehin, E.; Decock, A. [Origines Cosmologiques et Astrophysiques (ORCA), University of Liège (Belgium); Hutsemékers, D. [Extragalactic Astrophysics and Space Observations (EASO), University of Liège (Belgium); Manfroid, J., E-mail: B.Hubert@ulg.ac.be [High Energy Astrophysics Group (GAPHE), University of Liège (Belgium)

    2015-01-01

    Cometary atmospheres are produced by the outgassing of material, mainly H{sub 2}O, CO, and CO{sub 2} from the nucleus of the comet under the energy input from the Sun. Subsequent photochemical processes lead to the production of other species generally absent from the nucleus, such as OH. Although all comets are different, they all have a highly rarefied atmosphere, which is an ideal environment for nonthermal photochemical processes to take place and influence the detailed state of the atmosphere. We develop a Monte Carlo model of the coma photochemistry. We compute the energy distribution functions (EDF) of the metastable O({sup 1}D) and O({sup 1}S) species and obtain the red (630 nm) and green (557.7 nm) spectral line shapes of the full coma, consistent with the computed EDFs and the expansion velocity. We show that both species have a severely non-Maxwellian EDF, that results in broad spectral lines and the suprathermal broadening dominates due to the expansion motion. We apply our model to the atmosphere of comet C/1996 B2 (Hyakutake) and 103P/Hartley 2. The computed width of the green line, expressed in terms of speed, is lower than that of the red line. This result is comparable to previous theoretical analyses, but in disagreement with observations. We explain that the spectral line shape does not only depend on the exothermicity of the photochemical production mechanisms, but also on thermalization, due to elastic collisions, reducing the width of the emission line coming from the O({sup 1}D) level, which has a longer lifetime.

  7. Atmospheric pressure intercalation of oxygen via wrinkles between graphene and a metal

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    intercalation, of Si and O, even showed great promise for the transfer-free preparation of graphene questions, by studying high quality graphene prepared by CVD on Ir(111) thin films. Iridium is one of thoseAtmospheric pressure intercalation of oxygen via wrinkles between graphene and a metal Amina

  8. EVOLUTION OF ATMOSPHERIC OXYGEN D Catling, University of Washington, Seattle, WA, USA

    E-Print Network [OSTI]

    Winglee, Robert M.

    , the biological process in which water molecules are split using the energy of sunlight. Today, green plants as the standard history of the Earth's atmosphere. This history has been a major influence on life. All animals, multicellular plants, and fungi rely on free oxygen to maintain their energy intensive lifestyles. Life

  9. Application of a Differential Fuel-Cell Analyzer for Measuring Atmospheric Oxygen Variations

    E-Print Network [OSTI]

    Stephens, Britton B.

    Application of a Differential Fuel-Cell Analyzer for Measuring Atmospheric Oxygen Variations available differential fuel-cell analyzer has been adapted to make field-based ppm-level measurements of implementation of the fuel-cell analyzer make it particularly useful for a wide range of unattended field

  10. Influence of in-plane and bridging oxygen vacancies of SnO_2 nanostructures on CH_4 sensing at low operating temperatures

    E-Print Network [OSTI]

    Bonu, Venkataramana; Prasad, Arun K; Krishna, Nanda Gopala; Dhara, Sandip; Tyagi, A K

    2015-01-01

    Role of 'O' defects in sensing pollutant with nanostructured SnO_2 is not well understood, especially at low temperatures. SnO_2 nanoparticles were grown by soft chemistry route followed by subsequent annealing treatment under specific conditions. Nanowires were grown by chemical vapor deposition technique. A systematic photoluminescence (PL) investigation of 'O' defects in SnO_2 nanostructures revealed a strong correlation between shallow donors created by the in-plane and the bridging 'O' vacancies and gas sensing at low temperatures. These SnO_2 nanostructures detected methane (CH_4), a reducing and green house gas at a low temperature of 50 ^oC. Response of CH_4 was found to be strongly dependent on surface defect in comparison to surface to volume ratio. Control over 'O' vacancies during the synthesis of SnO2 nanomaterials, as supported by X-ray photoelectron spectroscopy and subsequent elucidation for low temperature sensing are demonstrated.

  11. Influence of oxygen traces on an atmospheric-pressure radio-frequency capacitive argon plasma discharge

    SciTech Connect (OSTI)

    Li Shouzhe; Wu Qi; Yan Wen; Wang Dezhen [Key Laboratory of Materials Modification by Laser, Ion, Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China) and School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China); Uhm, Han S. [Kwangwoon Academy of Advanced Studies, Kwangwoon University, 447-1 Wolgye-dong, Nowon-gu, Seoul 137-701 (Korea, Republic of)

    2011-10-15

    An atmospheric-pressure capacitive discharge source driven by radio-frequency power supply at 13.56 MHz has been developed experimentally that is capable of producing a homogeneous and cold glow discharge in O{sub 2}/Ar. With respect to the influence of oxygen component when diluted into argon plasma discharge on the discharge characteristics, the measurements of the electrical parameters (impedance, phase angle, resistance, and reactance) are made systematically and the densities of the metastable and resonant state of argon are determined by means of optical emission spectroscopy (OES). It is shown that the admixture of oxygen into argon plasma not only changes the electric characteristics but also alters the optical emission spectra greatly due to strong interaction between the oxygen content and the argon in the plasma environment.

  12. Charge-state and element-resolved ion energies in the cathodic arc plasma from composite AlCr cathodes in argon, nitrogen and oxygen atmospheres

    E-Print Network [OSTI]

    Franz, Robert; Anders, André

    2014-01-01

    The energy distribution functions of ions in the cathodic arc plasma using composite AlCr cathodes were measured as a function of the background gas pressure in the range 0.5 to 3.5 Pa for different cathode compositions and gas atmospheres. The most abundant aluminium ions were Al$^{+}$ regardless of the background gas species, whereas Cr$^{2+}$ ions were dominating in Ar and N$_2$ and Cr$^{+}$ in O$_2$ atmospheres. The energy distributions of the aluminium and chromium ions typically consisted of a high energy fraction due to acceleration in the expanding plasma plume from the cathode spot and thermalised ions that were subjected to collisions in the plasma cloud. The fraction of the latter increased with increasing background gas pressure. Atomic nitrogen and oxygen ions showed similar energy distributions as the aluminium and chromium ions, whereas the argon and molecular nitrogen and oxygen ions were mainly thermalised. In addition to the positively charged metal and gas ions, negatively charged oxygen an...

  13. Fractal and Multifractal Analysis of the Rise of Oxygen in Earth's Early Atmosphere

    E-Print Network [OSTI]

    Satish Kumar; Manfred Cuntz; Zdzislaw E. Musielak

    2015-06-09

    The rise of oxygen in Earth's atmosphere that occurred 2.4 to 2.2 billion years ago is known as the Earth's Great Oxidation, and its impact on the development of life on Earth has been profound. Thereafter, the increase in Earth's oxygen level persisted, though at a more gradual pace. The proposed underlying mathematical models for these processes are based on physical parameters whose values are currently not well-established owing to uncertainties in geological and biological data. In this paper, a previously developed model of Earth's atmosphere is modified by adding different strengths of noise to account for the parameters' uncertainties. The effects of the noise on the time variations of oxygen, carbon and methane for the early Earth are investigated by using fractal and multifractal analysis. We show that the time variations following the Great Oxidation cannot properly be described by a single fractal dimension because they exhibit multifractal characteristics. The obtained results demonstrate that the time series as obtained exhibit multifractality caused by long-range time correlations.

  14. Chemical Constraints on the Water and Total Oxygen Abundances in the Deep Atmosphere of Saturn

    E-Print Network [OSTI]

    Channon Visscher; Bruce Fegley Jr

    2005-01-07

    Thermochemical equilibrium and kinetic calculations for the trace gases CO, PH3, and SiH4 give three independent constraints on the water and total oxygen abundances of Saturn's deep atmosphere. A lower limit to the water abundance of H2O/H2 > 1.7 x 10^-3 is given by CO chemistry while an upper limit of H2O/H2 water enrichment on Saturn of 1.9 to 6.1 times the solar system abundance (H2O/H2 = 8.96 x 10^-4). The total oxygen abundance must be at least 1.7 times the solar system abundance (O/H2 = 1.16 x 10^-3) in order for the SiH4 to remain below a detection limit of SiH4/H2 < 2 x 10^-10. A combination of the CO, PH3, and SiH4 constraints suggests that the total oxygen abundance on Saturn is 3.2 to 6.4 times the solar system abundance. Our results indicate that oxygen on Saturn is less enriched than other heavy elements (such as C and P) relative to a solar system composition. This work was supported by NASA NAG5-11958.

  15. Standard Test Method for Determination of Uranium, Oxygen to Uranium (O/U), and Oxygen to Metal (O/M) in Sintered Uranium Dioxide and Gadolinia-Uranium Dioxide Pellets by Atmospheric Equilibration

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2007-01-01

    Standard Test Method for Determination of Uranium, Oxygen to Uranium (O/U), and Oxygen to Metal (O/M) in Sintered Uranium Dioxide and Gadolinia-Uranium Dioxide Pellets by Atmospheric Equilibration

  16. Nanoscale Phase Separation, Cation Ordering, and Surface Oxygen Chemistry in Pristine Li1.2Ni0.2Mn0.6O2 for Li-Ion Batteries

    SciTech Connect (OSTI)

    Gu, Meng; Genc, Arda; Belharouak, Ilias; Wang, Dapeng; Amine, Khalil; Thevuthasan, Suntharampillai; Baer, Donald R.; Zhang, Jiguang; Browning, Nigel D.; Liu, Jun; Wang, Chong M.

    2013-05-14

    Li-rich layered material Li1.2Ni0.2Mn0.6O2 possesses high voltage and high specific capacity, which makes it an attractive candidate for the transportation industry and sustainable energy storage systems. The rechargeable capacity of the Li-ion battery is linked largely to the structural stability of the cathode materials during the charge-discharge cycles. However, the structure and cation distribution in pristine (un-cycled) Li1.2Ni0.2Mn0.6O2 have not yet been fully characterized. Using a combination of aberration-corrected scanning/transmission electron microscopy, X-ray dispersive energy spectroscopy (XEDS), electron energy loss spectroscopy (EELS), and complementary multislice image simulation, we have probed the crystal structure, cation/anion distribution, and electronic structure of Li1.2Ni0.2Mn0.6O2 nanoparticle. We discovered that the electronic structure and valence state of transition metal ions show significant variations, which have been identified to be attributed to the oxygen deficiency near the particle surfaces. Characterization of the nanoscale phase separation and cation ordering in the pristine material are critical for understanding the capacity and voltage fading of this material for battery application.

  17. Tropospheric O 3 from photolysis of O 2

    E-Print Network [OSTI]

    Prather, Michael J

    2009-01-01

    I (NNG06GB84G) and NSF Atmospheric Chemistry (ATM-0550234).impact on global atmospheric chemistry is small, i.e. , ±photolytic rate for atmospheric chemistry is that of O 2 (J-

  18. Revision of the global carbon budget due to changing air-sea oxygen fluxes

    E-Print Network [OSTI]

    Stocker, Thomas

    -derived relationship between changes in atmospheric O2/N2 due to oceanic outgassing and heat fluxes to estimate ocean O2 outgassing. The inferred terrestrial carbon sink for the 1990s is reduced by a factor of two: global carbon budget, changes in ocean heat content, oceanic oxygen outgassing, ocean and land sinks

  19. A dominant role of oxygen additive on cold atmospheric-pressure He + O{sub 2} plasmas

    SciTech Connect (OSTI)

    Yang, Aijun; Liu, Dingxin E-mail: xhw@mail.xjtu.edu.cn; Rong, Mingzhe; Wang, Xiaohua E-mail: xhw@mail.xjtu.edu.cn; Kong, Michael G.

    2014-08-15

    We present in this paper how oxygen additive impacts on the cold atmospheric-pressure helium plasmas by means of a one-dimensional fluid model. For the oxygen concentration [O{sub 2}]?>??0.1%, the influence of oxygen on the electron characteristics and the power dissipation becomes important, e.g., the electron density, the electron temperature in sheath, the electron-coupling power, and the sheath width decreasing by 1.6 to 16 folds with a two-log increase in [O{sub 2}] from 0.1% to 10%. Also the discharge mode evolves from the ? mode to the ? mode. The reactive oxygen species are found to peak in the narrow range of [O{sub 2}]?=?0.4%–0.9% in the plasmas, similar to their power-coupling values. This applies to their wall fluxes except for those of O* and O{sub 2}{sup ?}. These two species have very short lifetimes, thus only when generated in boundary layers within several micrometers next to the electrode can contribute to the fluxes. The dominant reactive oxygen species and the corresponding main reactions are schematically presented, and their relations are quantified for selected applications.

  20. Analysis of the atmospheric distribution, sources, and sinks of oxygenated volatile organic chemicals based on

    E-Print Network [OSTI]

    Jacob, Daniel J.

    chemicals based on measurements over the Pacific during TRACE-P H. B. Singh,1 L. J. Salas,1 R. B. Chatfield measurements of a large number of oxygenated volatile organic chemicals (OVOC) were carried out in the Pacific of OVOC is comparable to that of methane and far exceeds that of NMHC. A comparison of these data

  1. Reconstruction of regional atmospheric circulation features during the late Pleistocene in subtropical Brazil from oxygen isotope

    E-Print Network [OSTI]

    Vuille, Mathias

    in subtropical Brazil from oxygen isotope composition of speleothems F.W. Cruz Jr. a,b,, S.J. Burns a , I, CEP 05508-080, São Paulo-SP, Brazil c Berkeley Geochronology Center, 2455 Ridge Road, Berkeley, CA of speleothems from caves located in subtropical Brazil provide a broad view of regional climate variations

  2. Abstract The O2 requirements for biomass pro-duction and supplying maintenance energy de-

    E-Print Network [OSTI]

    Daugulis, Andrew J.

    Abstract The O2 requirements for biomass pro- duction and supplying maintenance energy de- mands-state data. For benzene and ethylbenzene, the biomass yield on O2, YX=O2 , was estimated on a cell dry weight.022 mgO2 mg CDW­1 h­1 , respec- tively. Keywords Bioscrubber Æ BTEX Æ Maintenance energy Æ Oxygen

  3. Comparison of on-line and off-line methods to quantify reactive oxygen species (ROS) in atmospheric aerosols

    E-Print Network [OSTI]

    Fuller, S. J.; Wragg, F. P. H.; Nutter, J.; Kalberer, M.

    2014-04-08

      a   wide   range   of   inorganic   and   organic  72   compounds   such   as   transition  metals,   hydrogen  peroxide   (H2O2),   radicals   (e.g.,  73   OH??,  O2???),  and  organic  (hydro...   H2O2  were  used  to  optimize  operation  conditions  of  the  on-­?line  instrument  and  276   to   compare   the   performance   of   on-­?line   and   off-­?line   quantification   methods.  277...

  4. Commercial demonstration of atmospheric medium BTU fuel gas production from biomass without oxygen the Burlington, Vermont Project

    SciTech Connect (OSTI)

    Rohrer, J.W.

    1995-12-31

    The first U.S. demonstration of a gas turbine operating on fuel gas produced by the thermal gasification of biomass occurred at Battelle Columbus Labs (BCL) during 1994 using their high throughput indirect medium Btu gasification Process Research Unit (PRU). Zurn/NEPCO was retained to build a commercial scale gas plant utilizing this technology. This plant will have a throughput rating of 8 to 12 dry tons per hour. During a subsequent phase of the Burlington project, this fuel gas will be utilized in a commercial scale gas turbine. It is felt that this process holds unique promise for economically converting a wide variety of biomass feedstocks efficiently into both a medium Btu (500 Btu/scf) gas turbine and IC engine quality fuel gas that can be burned in engines without modification, derating or efficiency loss. Others are currently demonstrating sub-commercial scale thermal biomass gasification processes for turbine gas, utilizing both atmospheric and pressurized air and oxygen-blown fluid bed processes. While some of these approaches hold merit for coal, there is significant question as to whether they will prove economically viable in biomass facilities which are typically scale limited by fuel availability and transportation logistics below 60 MW. Atmospheric air-blown technologies suffer from large sensible heat loss, high gas volume and cleaning cost, huge gas compressor power consumption and engine deratings. Pressurized units and/or oxygen-blown gas plants are extremely expensive for plant scales below 250 MW. The FERCO/BCL process shows great promise for overcoming the above limitations by utilizing an extremely high throughout circulation fluid bed (CFB) gasifier, in which biomass is fully devolitalized with hot sand from a CFB char combustor. The fuel gas can be cooled and cleaned by a conventional scrubbing system. Fuel gas compressor power consumption is reduced 3 to 4 fold verses low Btu biomass gas.

  5. Rate-Dependent Morphology of Li2O2 Growth in Li-O2 Batteries Birger Horstmann,1, 2, 3, 4

    E-Print Network [OSTI]

    Bazant, Martin Z.

    Rate-Dependent Morphology of Li2O2 Growth in Li-O2 Batteries Birger Horstmann,1, 2, 3, 4 Betar continuum model for the growth of Li2O2 crystals in lithium-oxygen batteries with organic electrolytes-ion batteries. As in the case of lithium insertion in phase-separating LiFePO4 nanoparticles, the theory

  6. Striving toward noble-metal-free photocatalytic water splitting: The hydrogenated-graphene-TiO2 prototype

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

    Nguyen-Phan, Thuy -Duong; Luo, Si; Liu, Zongyuan; Gamalski, Andrew D.; Tao, Jing; Xu, Wenqian; Stach, Eric A.; Polyansky, Dmitry E.; Senanayake, Sanjaya D.; Fujita, Etsuko; et al

    2015-08-20

    Graphane, graphone and hydrogenated graphene (HG) have been extensively studied in recent years due to their interesting properties and potential use in commercial and industrial applications. The present study reports investigation of hydrogenated graphene/TiO2-x (HGT) nanocomposites as photocatalysts for H2 and O2 production from water without the assistance of a noble metal co-catalyst. By combination of several techniques, the morphologies, bulk/atomic structure and electronic properties of all the powders were exhaustively interrogated. Hydrogenation treatment efficiently reduces TiO2 nanoparticles, while the graphene oxide sheets undergo the topotactic transformation from a graphene-like structure to a mixture of graphitic and turbostratic carbon (amorphous/disordered)more »upon altering the calcination atmosphere from a mildly reducing to a H2-abundant environment. Remarkably, the hydrogenated graphene-TiO2-x composite that results upon H2-rich reduction exhibits the highest photocatalytic H2 evolution performance equivalent to low loading of Pt (~0.12 wt%), whereas the addition of HG suppresses the O2 production. As a result, we propose that such an enhancement can be attributed to a combination of factors including the introduction of oxygen vacancies and Ti3+ states, retarding the recombination of charge carriers and thus, facilitating the charge transfer from TiO2-x to the carbonaceous sheet.« less

  7. 2O 2O2O 2OAn Executive's Guide to the Criteria for Performance Excellence

    E-Print Network [OSTI]

    #12;BALDRIGE 2O 2O2O 2OAn Executive's Guide to the Criteria for Performance Excellence That Used the Criteria to Become U.S. Role Models #12;Baldrige Performance Excellence Program National, Millie Glick, Harry Hertz, Scott Kurtz, and Jeff Lucas. Book design and illustrations by Capitol

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

    E-Print Network [OSTI]

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

    2013-01-01

    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.

  9. Atmospheric Pressure Humid Argon DBD Plasma for the Application of Sterilization -Measurement and Simulation of Hydrogen, Oxygen, and Hydrogen

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    and Simulation of Hydrogen, Oxygen, and Hydrogen Peroxide Formation M.J. Kirkpatrick, B. Dodet, E. Odic Département Energie - Supélec, F-91192 Gif-sur-Yvette cedex, France AbstractHydrogen, oxygen, and hydrogen. The yield of the three species was studied as a function of the discharge power and gas flow rate. Hydrogen

  10. Deciphering brain oxygenation and its change with age using phosphorescence

    E-Print Network [OSTI]

    Meunier, Michel

    for energy metabolism in every cell in the body. · The functioning of the brain is critically dependent #12;Oxygenation biomarkers · Average tissue pO2 · Spatial heterogeneity in tissue pO2 · pO2 gradient

  11. Virtual Oxygen Sensor for Innovative NOx and PM Emission Control...

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

    Virtual Oxygen Sensor for Innovative NOx and PM Emission Control Technologies Virtual Oxygen Sensor for Innovative NOx and PM Emission Control Technologies A virtual O2 sensor for...

  12. Artificial oxygen transport protein

    DOE Patents [OSTI]

    Dutton, P. Leslie

    2014-09-30

    This invention provides heme-containing peptides capable of binding molecular oxygen at room temperature. These compounds may be useful in the absorption of molecular oxygen from molecular oxygen-containing atmospheres. Also included in the invention are methods for treating an oxygen transport deficiency in a mammal.

  13. Large-scale fluctuations in Precambrian atmospheric and oceanic oxygen levels from the record of U in shales

    E-Print Network [OSTI]

    Konhauser, Kurt

    Academy of Sciences, St. Petersburg, Russia g Zavaritskii Institute of Geology and Geochemistry, Urals Branch, Russian Academy of Sciences, Ekaterinburg, Russia h Department of Earth and Atmospheric Sciences

  14. Absolute atomic oxygen and nitrogen densities in radio-frequency driven atmospheric pressure cold plasmas: Synchrotron vacuum ultra-violet high-resolution Fourier-transform absorption measurements

    SciTech Connect (OSTI)

    Niemi, K.; O'Connell, D.; Gans, T.; Oliveira, N. de; Joyeux, D.; Nahon, L.; Booth, J. P.

    2013-07-15

    Reactive atomic species play a key role in emerging cold atmospheric pressure plasma applications, in particular, in plasma medicine. Absolute densities of atomic oxygen and atomic nitrogen were measured in a radio-frequency driven non-equilibrium plasma operated at atmospheric pressure using vacuum ultra-violet (VUV) absorption spectroscopy. The experiment was conducted on the DESIRS synchrotron beamline using a unique VUV Fourier-transform spectrometer. Measurements were carried out in plasmas operated in helium with air-like N{sub 2}/O{sub 2} (4:1) admixtures. A maximum in the O-atom concentration of (9.1 {+-} 0.7) Multiplication-Sign 10{sup 20} m{sup -3} was found at admixtures of 0.35 vol. %, while the N-atom concentration exhibits a maximum of (5.7 {+-} 0.4) Multiplication-Sign 10{sup 19} m{sup -3} at 0.1 vol. %.

  15. Measuring Metabolism Using O2 and CO2 Class note readings: Review the section on aerobic metabolism. Be sure that you understand

    E-Print Network [OSTI]

    Prestwich, Ken

    Principle of Respiratory Gas Measurements: When using gas fraction respirometry, V · O2 and V · CO21 Measuring Metabolism Using O2 and CO2 1 Class note readings: Review the section on aerobic of oxygen used per unit time or M · O2 which is the number of mols of oxygen used per unit time or · V · CO2

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

    SciTech Connect (OSTI)

    Li, Yan; Wei, Zhehao; Gao, Feng; Kovarik, Libor; Peden, Charles HF; Wang, Yong

    2014-05-13

    CeO2 supports with dominating facets, i.e., low index (100), (110) and (111) facets, are prepared. The facet effects on the structure and catalytic performance of supported vanadium oxide catalysts are investigated using oxidative dehydrogenation of methanol as a model reaction. In the presence of mixed facets, Infrared and Raman characterizations demonstrate that surface vanadia species preferentially deposit on CeO2 (100) facets, presumably because of its higher surface energy. At the same surface vanadium densities, VOx species on (100) facets show better dispersion, followed by (110) and (111) facets. The VOx species on CeO2 nanorods with (110) and (100) facets display higher activity and lower apparent activation energies compared to that on CeO2 nanopolyhedras with dominating (111) facets and CeO2 nanocubes with dominating (100) facets. The higher activity for VOx/CeO2(110) might be related to the more abundant oxygen vacancies present on the (110) facets, evidenced from Raman spectroscopic measurements.

  17. Melt processing of the Bi[sub 2]Sr[sub 2]CaCu[sub 2]O[sub y] superconductor in oxygen and argon atmospheres

    SciTech Connect (OSTI)

    Holesinger, T.G.; Miller, D.J. ); Chumbley, L.S. )

    1992-08-01

    Solidification and subsequent annealing of Bi[sub 2]Sr[sub 2]CaCu[sub 2]O[sub y] (2212) in oxygen and argon atmospheres were investigated in order to identify alternative processing routes for controlling microstructures and superconducting properties. In addition to 2212, several other phases formed on cooling in O[sub 2] and did not disappear upon subsequent annealing. Crystallization in Ar resulted in a divorced eutetic structure of Bi[sub 2]Sr[sub 3-x]Ca[sub x]O[sub y] and Cu[sub 2]O/CuO. The superconductor was formed on subsequent anneals. Samples melted in Ar and then annealed generally possessed a more uniform microstructure compared with samples that were melted in oxygen and annealed. Compositional measurements of the 2212 phase suggest that CaO segregation in the melt may be minimized with an overall composition such as Bi[sub 2.15]Sr[sub 2]Ca[sub 0.85]Cu[sub 2]O[sub y].

  18. Melt processing of the Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub y} superconductor in oxygen and argon atmospheres

    SciTech Connect (OSTI)

    Holesinger, T.G.; Miller, D.J.; Chumbley, L.S.

    1992-08-01

    Solidification and subsequent annealing of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub y} (2212) in oxygen and argon atmospheres were investigated in order to identify alternative processing routes for controlling microstructures and superconducting properties. In addition to 2212, several other phases formed on cooling in O{sub 2} and did not disappear upon subsequent annealing. Crystallization in Ar resulted in a divorced eutetic structure of Bi{sub 2}Sr{sub 3-x}Ca{sub x}O{sub y} and Cu{sub 2}O/CuO. The superconductor was formed on subsequent anneals. Samples melted in Ar and then annealed generally possessed a more uniform microstructure compared with samples that were melted in oxygen and annealed. Compositional measurements of the 2212 phase suggest that CaO segregation in the melt may be minimized with an overall composition such as Bi{sub 2.15}Sr{sub 2}Ca{sub 0.85}Cu{sub 2}O{sub y}.

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

    SciTech Connect (OSTI)

    Davidson, Stephen; Sun, Junming; Wang, Yong

    2013-12-02

    A series of ZnO promoted Co/CeO2 catalysts were synthesized and characterized using XRD, TEM, H2-TPR, CO chemisorption, O2-TPO, IR-Py, and CO2-TPD. The effects of ZnO on the catalytic performances of Co/CeO2 were studied in ethanol steam reforming. It was found that the addition of ZnO facilitated the oxidation of Co0 via enhanced oxygen mobility of the CeO2 support which decreased the activity of Co/CeO2 in C–C bond cleavage of ethanol. 3 wt% ZnO promoted Co/CeO2 exhibited minimum CO and CH4 selectivity and maximum CO2 selectivity. This resulted from the combined effects of the following factors with increasing ZnO loading: (1) enhanced oxygen mobility of CeO2 facilitated the oxidation of CHx and CO to form CO2; (2) increased ZnO coverage on CeO2 surface reduced the interaction between CHx/CO and Co/CeO2; and (3) suppressed CO adsorption on Co0 reduced CO oxidation rate to form CO2. In addition, the addition of ZnO also modified the surface acidity and basicity of CeO2, which consequently affected the C2–C4 product distributions.

  20. Hole Trapping at Surfaces of m?ZrO2 and m?HfO2 Nanocrystals

    SciTech Connect (OSTI)

    Wolf, Matthew J.; Mckenna, Keith P.; Shlyuger, Alexander L.

    2012-12-03

    We investigate hole trapping at the most prevalent facets of monoclinic zirconia (m-ZrO2) and hafnia (m-HfO2) nanocrystals using first-principles methods. The localization of holes at surface oxygen ions is more favorable than in the bulk crystal by up to ?1 eV. This is caused mainly by the reduction of the absolute value of the electrostatic potential at the surface ions with respect to the bulk and by the significant surface distortion caused by the hole localization. The mobility of holes at surfaces is much lower than that found in the bulk and is fairly isotropic. Unlike in cubic oxides, such as MgO and CaO, we do not find a significant driving force for preferential trapping of holes at steps on the m-ZrO2 surface. These fundamental results are relevant to mechanisms of water oxidation, photocatalysis, contact charging, and photodesorption.

  1. Reactive Oxygen Species Driven Angiogenesis by Inorganic Nanorods

    E-Print Network [OSTI]

    Patra, Chitta Ranjan

    The exact mechanism of angiogenesis by europium hydroxide nanorods was unclear. In this study we have showed that formation of reactive oxygen species (H2O2 and O2·?) is involved in redox signaling pathways during angiogenesis, ...

  2. Strongly enhanced oxygen ion transport through samarium-doped...

    Office of Scientific and Technical Information (OSTI)

    Strongly enhanced oxygen ion transport through samarium-doped CeO2 nanopillars in nanocomposite films Citation Details In-Document Search This content will become publicly...

  3. Non-linear response of carbon dioxide and methane emissions to oxygen availability in a drained histosol

    E-Print Network [OSTI]

    McNicol, Gavin; Silver, Whendee L

    2015-01-01

    emissions to oxygen availability in a drained HistosolIncreased O 2 availability from wetland drainage and climateunder greater O 2 availability. We varied gas-phase O 2

  4. trans-K3[TcO2(CN)4

    SciTech Connect (OSTI)

    Chatterjee, Sayandev; Del Negro, Andrew S.; Edwards, Matthew K.; Twamley, Brendan; Krause, Jeanette A.; Bryan, Samuel A.

    2010-07-14

    The dioxotetracyanotechnetate anion, [TcO2(CN)4]3-, of the title complex has octahedral symmetry. The technetium is located on a center of inversion and is bound by two oxygen atoms and four cyano ligands. The Tc?O bond distance of 1.7721 (12) Å is consistent with double bond character. The potassium cations [located on special (1/2,0,1) and general positions] reside in octahedral or tetrahedral environments; interionic K···O and K···N interactions occur in the 2.7877 (19)-2.8598 (15) Å range.

  5. Mechanism of Electron-Induced Hydrogen Desorption from Hydroxylated Rutile TiO2 (110) D. P. Acharya,

    E-Print Network [OSTI]

    Ciobanu, Cristian

    Mechanism of Electron-Induced Hydrogen Desorption from Hydroxylated Rutile TiO2 (110) D. P. Acharya electrons with controlled energy and flux into single surface hydroxyls (OH) in cryogenic scanning tunneling on the bridging oxygen (Obr) rows on TiO2(110) generates a bridge-bonded hydroxyl (OHbr), has received attention

  6. Dye Surface Coating Enables Visible Light Activation of TiO2 Nanoparticles Leading to Degradation of

    E-Print Network [OSTI]

    Brown, Eric

    Dye Surface Coating Enables Visible Light Activation of TiO2 Nanoparticles Leading to Degradation that an alizarin red S ~ARS! dye coating on TiO2 nanoparticles enables visible light activation of reactive oxygen species. Successful coating of nanoparti- cles with dye is demonstrated through

  7. Inferring middle atmospheric ozone height profiles from ground-based measurements of molecular oxygen emission rates. 2. Comparison with O[sub 2]([sup 1][Delta][sub g])(0,1) band measurements at sunset

    SciTech Connect (OSTI)

    Sica, R.J.; Lowe, R.P. (Univ. of Western Ontario, London (Canada))

    1993-01-20

    The ability to routinely acquire measurements of the ozone density profile in the mesosphere and lower thermosphere is important for use in chemical-dynamical models of the middle atmosphere. Zenith measurements of the O[sub 2]([sup 1][Delta][sub g]) (0,1) band emission rate in the evening twilight were acquired near the spring equinox of 1982 with a Michelson interferometer from London, Ontario, Canada. Knowledge of the change of the O[sub 2]([sup 1][Delta][sub g])(0,1) band emission rate at twilight can be related directly to ozone density, since ozone destruction by sunlight is the primary source of O[sub 2]([sup 1][Delta][sub g]) in the atmosphere. Measurements and calculations have shown that a secondary peak in the ozone density often exists in the middle atmosphere. A model has been developed to infer the ozone profile in the middle atmosphere by simultaneously solving the time-dependent chemistry of the molecular oxygen atmospheric and atmospheric-IR bands and O(ID) during twilight. Calculations are presented which show the effect of a secondary peak in the ozone density at various heights on the O[sub 2]([sup 1][Delta][sub g]) (0,1) band emission rate during twilight. The model is used to demonstrate that the London measurements are consistent with an ozone profile with a secondary peak at 85-90 km. 17 refs., 7 figs.

  8. The Mechanisms of Oxygen Reduction and Evolution Reactions in Nonaqueous Lithium-Oxygen Batteries

    SciTech Connect (OSTI)

    Cao, Ruiguo; Walter, Eric D.; Xu, Wu; Nasybulin, Eduard N.; Bhattacharya, Priyanka; Bowden, Mark E.; Engelhard, Mark H.; Zhang, Jiguang

    2014-09-01

    The oxygen reduction/evolution reaction (ORR/OER) mechanisms in nonaqueous Li-O2 batteries have been investigated by using electron paramagnetic resonance spectroscopy in this work. We identified the superoxide radical anion (O2•-) as an intermediate in the ORR process using 5,5-dimethyl-pyrroline N-oxide as a spin trap, while no O2•- in OER was detected during the charge process. These findings provide insightful understanding on the fundamental oxygen reaction mechanisms in rechargeable nonaqueous Li-O2 batteries.

  9. PATHWAYS TO OXYGEN-BEARING MOLECULES IN THE INTERSTELLAR MEDIUM AND IN PLANETARY ATMOSPHERES: CYCLOPROPENONE (c-C3H2O)

    E-Print Network [OSTI]

    Kaiser, Ralf I.

    isomers suggest (pseudo-) first-order kinetics. The cyclic structure (c-C3H2O) is formed via an addition for the heterogeneous oxygen chemistry of Titan and icy terrestrial planets and satellites suggest that the production

  10. O2 constraints from Paleoproterozoic detrital pyrite and uraninite Jena E. Johnson1,

    E-Print Network [OSTI]

    Fischer, Woodward

    , California Institute of Technology, Pasadena, California 91125, USA 2 Department of Geology, Occidental College, 1600 Campus Road, Los Angeles, California 90041, USA ABSTRACT Redox-sensitive detrital grains are rapidly chemically weathered within short transport distances. Prior to the rise of oxygen, low O2

  11. Journal of Solid State Chemistry 177 (2004) 39954000 Microwave dielectric properties of BaO2CeO2nTiO2 ceramics

    E-Print Network [OSTI]

    Osnabrück, Universität

    2004-01-01

    ÀnTiO2 ceramics H. Sreemoolanadhana,1 , M.T. Sebastiana,Ã, R. Ratheeshb,2 , R. Blachnikb , M. Woehleckec , B. Schneiderc , M. Neumannc , P. Mohanand a Regional Research Laboratory, Ceramic Technology online 6 October 2004 Abstract The BaO­2CeO2­nTiO2 ceramics with n ¼ 3; 4 and 5 have been prepared

  12. Geochemistry of Surface-Atmosphere Interactions on

    E-Print Network [OSTI]

    Withers, Paul

    , T, and atmospheric composition ¥ ...Kinetics ¥ What are the major minerals? ¥ What is the oxidation of terrestrial alkaline igneous rocks #12;Oxidation State of the Surface ¥ 2CO + O2 = 2CO2 controls O2 ¥ Lack. ¥ S in lower atmosphere is kinetically controlled ¥ CaCO3 + SO2 = CaSO4 + CO removes SO2 , deposits CaSO4 ¥ Fe

  13. Faster Proton Transfer Dynamics of Water on SnO2 Compared to TiO2

    SciTech Connect (OSTI)

    Kumar, Nitin [ORNL; Kent, Paul R [ORNL; Bandura, Andrei V. [St. Petersburg State University, St. Petersburg, Russia; Kubicki, James D. [Pennsylvania State University; Wesolowski, David J [ORNL; Cole, David R [ORNL; Sofo, Jorge O. [Pennsylvania State University

    2011-01-01

    Proton jump processes in the hydration layer on the isostructural TiO2 rutile (110) and SnO2 cassiterite (110) surfaces were studied with density functional theory molecular dynamics. We find that the proton jump rate is more than three times faster on cassiterite compared with rutile. A local analysis based on the correlation between the stretching band of the O-H vibrations and the strength of H-bonds indicates that the faster proton jump activity on cassiterite is produced by a stronger H-bond formation between the surface and the hydration layer above the surface. The origin of the increased H-bond strength on cassiterite is a combined effect of stronger covalent bonding and stronger electrostatic interactions due to differences of its electronic structure. The bridging oxygens form the strongest H-bonds between the surface and the hydration layer. This higher proton jump rate is likely to affect reactivity and catalytic activity on the surface. A better understanding of its origins will enable methods to control these rates.

  14. Water, O2 and Ice in Molecular Clouds

    E-Print Network [OSTI]

    David Hollenbach; Michael J. Kaufman; Edwin A. Bergin; Gary J. Melnick

    2009-03-02

    We model the temperature and chemical structure of molecular clouds as a function of depth into the cloud, assuming a cloud of constant density n illuminated by an external FUV (6 eV < E < 13.6 eV) flux G_0 (scaling factor in multiples of the local interstellar field). Extending previous photodissociation region models, we include the freezing of species, simple grain surface chemistry, and desorption (including FUV photodesorption) of ices. We also treat the opaque cloud interior with time-dependent chemistry. Here, under certain conditions, gas phase elemental oxygen freezes out as water ice and the elemental C/O abundance ratio can exceed unity, leading to complex carbon chemistry. Gas phase H2O and O2 peak in abundance at intermediate depth into the cloud, roughly A_V~3-8 from the surface, the depth proportional to ln(G_0/n). Closer to the surface, molecules are photodissociated. Deeper into the cloud, molecules freeze to grain surfaces. At intermediate depths photodissociation rates are attenuated by dust extinction, but photodesorption prevents total freezeout. For G_0 < 500, abundances of H2O and O2 peak at values ~10^(-7), producing columns ~10^(15) per cm^2, independent of G_0 and n. The peak abundances depend primarily on the product of the photodesorption yield of water ice and the grain surface area per H nucleus. At higher values of G_0, thermal desorption of O atoms from grains enhances the gas phase H2O peak abundance and column slightly, whereas the gas phase O2 peak abundance rises to ~10^(-5) and the column to ~2x10^(16) per cm^2. We present simple analytic equations for the abundances as a function of depth which clarify the dependence on parameters. The models are applied to observations of H2O, O2, and water ice in a number of sources, including B68, NGC 2024, and Rho Oph.

  15. Constraining bubble dynamics and mixing with dissolved gases: Implications for productivity measurements by oxygen mass balance

    E-Print Network [OSTI]

    Hamme, Roberta C

    2006-01-01

    Implications for productivity measurements by oxygen masszone. Because the productivity measurement in the mixedproductivity estimates from continuous O 2 /Ar ratio measurements

  16. ALMA observations of TiO$_2$ around VY Canis Majoris

    E-Print Network [OSTI]

    De Beck, E; Muller, S; Black, J H; O'Gorman, E; Richards, A M S; Baudry, A; Maercker, M; Decin, L; Humphreys, E M

    2015-01-01

    Titanium dioxide, TiO$_2$, is a refractory species that could play a crucial role in the dust-condensation sequence around oxygen-rich evolved stars. To date, gas phase TiO$_2$ has been detected only in the complex environment of the red supergiant VY CMa. We aim to constrain the distribution and excitation of TiO$_2$ around VY CMa in order to clarify its role in dust formation. We analyse spectra and channel maps for TiO$_2$ extracted from ALMA science verification data. We detect 15 transitions of TiO$_2$, and spatially resolve the emission for the first time. The maps demonstrate a highly clumpy, anisotropic outflow in which the TiO$_2$ emission likely traces gas exposed to the stellar radiation field. A roughly east-west oriented, accelerating bipolar-like structure is found, of which the blue component runs into and breaks up around a solid continuum component. A distinct tail to the south-west is seen for some transitions, consistent with features seen in the optical and near-infrared. We find that a si...

  17. Location Of Hole And Electron Traps On Nanocrystalline Anatase TiO2

    SciTech Connect (OSTI)

    Mercado, Candy C.; Knorr, Fritz J.; McHale, Jeanne L.; Usmani, Shirin M.; Ichimura, Andrew S.; Saraf, Laxmikant V.

    2012-05-17

    The defect photoluminescence from TiO2 nanoparticles in the anatase phase is reported for nanosheets which expose predominantly (001) surfaces, and compared to that from conventional anatase nanoparticles which expose mostly (101) surfaces. Also reported is the weak defect photoluminescence of TiO2 nanotubes, which we find using electron back-scattered diffraction to consist of walls which expose (110) and (100) facets. The nanotubes exhibit photoluminescence that is blue-shifted and much weaker than that from conventional TiO2 nanoparticles. Despite the preponderance of (001) surfaces in the nanosheet samples, they exhibit photoluminescence similar to that of conventional nanoparticles. We assign the broad visible photoluminescence of anatase nanoparticles to two overlapping distributions: hole trap emission associated with oxygen vacancies on (101) exposed surfaces, which peaks in the green, and a broader emission extending into the red which results from electron traps on under-coordinated titanium atoms, which are prevalent on (001) facets. The results of this study suggest how morphology of TiO2 nanoparticles could be optimized to control the distribution and activity of surface traps. Our results also shed light on the mechanism by which the TiCl4 surface treatment heals traps on anatase and mixed-phase TiO2 films, and reveals distinct differences in the trap-state distributions of TiO2 nanoparticles and nanotubes. The molecular basis for electron and hole traps and their spatial separation on different facets is discussed.

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

    SciTech Connect (OSTI)

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

    2008-11-15

    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.

  19. Investigation of the electrocatalytic oxygen reduction and evolution reactions in lithium–oxygen batteries

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

    Zheng, Dong; Zhang, Xuran; Qu, Deyu; Yang, Xiao -Qing; Lee, Hung -Sui; Qu, Deyang

    2015-04-21

    Oxygen reduction and oxygen evolution reactions were examined on graphite electrodes with different crystal orientations. The kinetics for the redox couple O2/O2•- are very fast, therefore no catalyst seems necessary to assist the charge transfer process. Apparently, the main source of the overpotential for the O2 reduction reaction is from mass diffusion. Li2O2 becomes soluble in non-aqueous electrolytes in the presence of the tetraethylammonium tetrafluoroborate additive. The soluble B-O22- ions can be oxidized electro-catalytically. The edge orientation of graphite demonstrates superior catalytic activity for the oxidation over basal orientation. The findings reveal an opportunity for recharging Li-air batteries efficiently andmore »a new strategy of developing the catalyst for oxygen evolution reaction.« less

  20. Investigation of the electrocatalytic oxygen reduction and evolution reactions in lithium–oxygen batteries

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

    Zheng, Dong [Univ. of Wisconsin, Milwaukee, WI (United States). Collece of Engineering and Applied Science; Zhang, Xuran [Wuhan Univ. of Technology, Wuhan (China). School of Science; Qu, Deyu [Wuhan Univ. of Technology, Wuhan (China). School of Science; Yang, Xiao-Qing [Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Dept.; Lee, Hung-Sui [Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Dept.; Qu, Deyang [Univ. of Wisconsin, Milwaukee, WI (United States). Collece of Engineering and Applied Science

    2015-08-01

    Oxygen reduction and oxygen evolution reactions were studied on graphite electrodes with different crystal orientations. The kinetics for the redox couple O2/O2•- are very fast, therefore no catalyst seems necessary to assist the charge transfer process. Apparently, the main source of the overpotential for the O2 reduction reaction is from mass diffusion. Li2O2 becomes soluble in non-aqueous electrolytes in the presence of the tetraethylammonium tetrafluoroborate additive. The soluble B-O22- ions can be oxidized electro-catalytically. The edge orientation of graphite demonstrates superior catalytic activity for the oxidation over basal orientation. The findings reveal an opportunity for recharging Li-air batteries efficiently and a new strategy of developing the catalyst for oxygen evolution reaction.

  1. Oxygen analyzer

    DOE Patents [OSTI]

    Benner, W.H.

    1984-05-08

    An oxygen analyzer which identifies and classifies microgram quantities of oxygen in ambient particulate matter and for quantitating organic oxygen in solvent extracts of ambient particulate matter. A sample is pyrolyzed in oxygen-free nitrogen gas (N/sub 2/), and the resulting oxygen quantitatively converted to carbon monoxide (CO) by contact with hot granular carbon (C). Two analysis modes are made possible: (1) rapid determination of total pyrolyzable obtained by decomposing the sample at 1135/sup 0/C, or (2) temperature-programmed oxygen thermal analysis obtained by heating the sample from room temperature to 1135/sup 0/C as a function of time. The analyzer basically comprises a pyrolysis tube containing a bed of granular carbon under N/sub 2/, ovens used to heat the carbon and/or decompose the sample, and a non-dispersive infrared CO detector coupled to a mini-computer to quantitate oxygen in the decomposition products and control oven heating.

  2. WO3/TiO2 nanotube photoanodes for solar water splitting with simultaneous wastewater treatment.

    SciTech Connect (OSTI)

    Reyes, Karla Rosa; Robinson, David B.

    2013-05-01

    Nanostructured WO3/TiO2 nanotubes with properties that enhance solar photoconversion reactions were developed, characterized and tested. The TiO2 nanotubes were prepared by anodization of Ti foil, and WO3 was electrodeposited on top of the nanotubes. SEM images show that these materials have the same ordered structure as TiO2 nanotubes, with an external nanostructured WO3 layer. Diffuse reflectance spectra showed an increase in the visible absorption relative to bare TiO2 nanotubes, and in the UV absorption relative to bare WO3 films. Incident simulated solar photon-to-current efficiency increased from 30% (for bare WO3) to 50% (for WO3/TiO2 composites). With the addition of diverse organic pollutants, the photocurrent densities exhibited more than a 5-fold increase. Chemical oxygen demand measurements showed the simultaneous photodegradation of organic pollutants. The results of this work indicate that the unique structure and composition of these composite materials enhance the charge carrier transport and optical properties compared with the parent materials.

  3. Phosphorescent semiconductor nanocrystals and proteins for biological oxygen sensing

    E-Print Network [OSTI]

    McLaurin, Emily J. (Emily Jane)

    2011-01-01

    Oxygen is required for cellular respiration by all complex life making it a key metabolic profiling factor in biological systems. Tumors are defined by hypoxia (low pO2), which has been shown to influence response to ...

  4. Ammonia formation from NO reaction with surface hydroxyls on rutile TiO2 (110) - 1×1

    SciTech Connect (OSTI)

    Kim, Boseong; Kay, Bruce D.; Dohnalek, Zdenek; Kim, Yu Kwon

    2015-01-15

    The reaction of NO with hydroxylated rutile TiO2(110)-1×1 surface (h-TiO2) was investigated as a function of NO coverage using temperature-programmed desorption. Our results show that NO reaction with h-TiO2 leads to formation of NH3 which is observed to desorb at ~ 400 K. Interestingly, the amount of NH3 produced depends nonlinearly on the coverage of NO. The yield increases up to a saturation value of ~1.3×1013 NH3/cm2 at a NO dose of 5×1013 NO/cm2, but subsequently decreases at higher NO doses. Preadsorbed H2O is found to have a negligible effect on the NH3 desorption yield. Additionally, no NH3 is formed in the absence of surface hydroxyls (HOb’s) upon coadsorption of NO and H2O on a stoichiometric TiO2(110) (s-TiO2(110)). Based on these observations, we conclude that nitrogen from NO has a strong preference to react with HOb’s on the bridge-bonded oxygen rows (but not with H2O) to form NH3. The absolute NH3 yield is limited by competing reactions of HOb species with titanium-bound oxygen adatoms to form H2O. Our results provide new mechanistic insight about the interactions of NO with hydroxyl groups on TiO2(110) .

  5. Effects of oxygen on embryonic stem proliferation, energetics, and differentiation into cardiomyocytes

    E-Print Network [OSTI]

    Powers, Daryl E

    2007-01-01

    Most embryonic stem (ES) cell research has been performed using a gas-phase oxygen partial pressure (pO2gas) of 142 mmHg, whereas embryonic cells in early development are exposed to cellular pO2 (pO2cell) values of about ...

  6. A calorimetric analysis of a polymer electrolyte fuel cell and the production of H2O2 at the cathode

    E-Print Network [OSTI]

    Kjelstrup, Signe

    31.08.2009 1 A calorimetric analysis of a polymer electrolyte fuel cell and the production of H2O2 fuel cell that is operated on hydrogen and oxygen at 50 °C and 1 bar. The cell had a SolviCore Catalyst 1. INTRODUCTION The energy that is dissipated as heat in fuel cells is interesting for several

  7. Tin oxide thick film by doping rare earth for detecting traces of CO{sub 2}: Operating in oxygen-free atmosphere

    SciTech Connect (OSTI)

    Xiong, Ya; Zhang, Guozhu; Zhang, Shunping; Zeng, Dawen; Xie, Changsheng, E-mail: csxie@mail.hust.edu.cn

    2014-04-01

    Highlights: • La, Gd, and Lu doped SnO{sub 2} with their sensing properties toward CO{sub 2} were compared. • The microstructures of SnO{sub 2}-based nanoparticles were elaborately characterized. • La-SnO{sub 2} thick film shows superior response toward trace ppm CO{sub 2}. • Our sensing material can be recommended to employ in oxygen-free environment. - Abstract: SnO{sub 2} thick films doped with atomic ratios ranging from 0 up to 8 at.% La, 8 at.% Gd, 8 at.% Lu were fabricated, respectively, via hydrothermal and impregnation methods. The crystal phase, morphology, and chemical composition of the SnO{sub 2}-based nanoparticles were characterized by XRD, FE-SEM, EDX, HRTEM and XPS. Sensing properties of La-SnO{sub 2}, Gd-SnO{sub 2}, Lu-SnO{sub 2} films, as well as the pure SnO{sub 2} film, were analyzed toward CO{sub 2} in the absence of O{sub 2}. It was found that the optimal doping element was La and the best doping ratio was 4 at.%. The maximum response appeared at an operating temperature of 250 °C, on which condition the 4 at.% La-SnO{sub 2} exhibited a remarkable improvement of response from 5.12 to 29.8 when increasing CO{sub 2} concentration from 50 to 500 ppm. Furthermore, the working mechanism underlying such enhancement in CO{sub 2}-sensing functions by La additive in the absence of O{sub 2} was proposed and discussed.

  8. High-Performance ZrO2-Coated LiNiO2 Cathode Material Jaephil Cho,a,

    E-Print Network [OSTI]

    Park, Byungwoo

    O2 has a high-fracture toughness of 8-12 MPa m.16 Experimental LiNiO2 powders were prepared from lattice structure. Since metal oxides with low ductility initiate mechanically induced micro- cracks

  9. Thermodynamic stability of oxygen point defects in cubic Zirconia

    E-Print Network [OSTI]

    Samanta, Amit; Li, Ju

    2010-01-01

    Zirconia (ZrO2) is an important material with technological applications which are affected by point defect physics. Ab-initio calculations are performed to understand the structural and electronic properties of oxygen vacancies and interstitials in different charge states in cubic zirconia. We find oxygen interstitials in cubic ZrO2 can have five different configurations - dumbbell, dumbbell, crowd-ion, octahedral, and distorted dumbbell. For a neutral and singly charged oxygen interstitial, the lowest energy configuration is the dumbbell, while for a doubly charged oxygen interstitial the octahedral site is energetically the most favorable. Both the oxygen interstitial and the oxygen vacancy are negative-U, so that the singly charged defects are unstable at any Fermi level. The thermodynamic stability of these defects are studied in terms of Fermi level, oxygen partial pressure and temperature. A method to determine the chemical potential of the system as a function of temperature and pressure is propo...

  10. Reactivity and reaction intermediates for acetic acid adsorbed on CeO2(111)

    SciTech Connect (OSTI)

    Calaza, Florencia; Chen, Tsung-Liang; Mullins, David R; Xu, Ye; Overbury, Steven {Steve} H

    2015-01-01

    Adsorption and reaction of acetic acid on a CeO2(1 1 1) surface was studied by a combination of ultra-highvacuum based methods including temperature desorption spectroscopy (TPD), soft X-ray photoelectronspectroscopy (sXPS), near edge X-ray absorption spectroscopy (NEXAFS) and reflection absorption IRspectroscopy (RAIRS), together with density functional theory (DFT) calculations. TPD shows that thedesorption products are strongly dependent upon the initial oxidation state of the CeO2surface, includingselectivity between acetone and acetaldehyde products. The combination of sXPS and NEXAFS demon-strate that acetate forms upon adsorption at low temperature and is stable to above 500 K, above whichpoint ketene, acetone and acetic acid desorb. DFT and RAIRS show that below 500 K, bridge bondedacetate coexists with a moiety formed by adsorption of an acetate at an oxygen vacancy, formed bywater desorption.

  11. Oxygen and organic matter thresholds for benthic faunal activity on the Pakistan margin oxygen minimum zone (7001100 m)

    E-Print Network [OSTI]

    Levin, Lisa

    Oxygen and organic matter thresholds for benthic faunal activity on the Pakistan margin oxygen) on the bathyal Pakistan margin, where sediments grade from fully laminated sediment at 700 m (0.12 mL LÀ1 O2 [5 m matter to generate abrupt faunal transitions on the Pakistan margin. & 2008 Elsevier Ltd. All rights

  12. Importance of Diffusion in Methanol Photochemistry on TiO2(110)

    SciTech Connect (OSTI)

    Shen, Mingmin; Acharya, Danda P.; Dohnalek, Zdenek; Henderson, Michael A.

    2012-12-06

    The photoactivity of methanol on the rutile TiO2(110) surface is shown to depend on the ability of methanol to diffuse on the surface and find sites active for its thermal dissociation to methoxy. Temperature programmed desorption (TPD) results show that the extent of methanol photodecomposition to formaldehyde is negligible on the clean TiO2(110) surface at 100 K due to a scarcity of sites that can convert (photoinactive) methanol to (photoactive) methoxy. The extent of photoactivity at 100 K significantly increases when methanol is coadsorbed with oxygen, however only those molecules able to adsorb near (next to) a coadsorbed oxygen species are active. Preannealing coadsorbed methanol and oxygen to above 200 K prior to UV irradiation results in a significant increase in photoactivity. Scanning tunneling microscopy (STM) images clearly show that the advent of increased photoactivity in TPD correlates with the onset of methanol diffusion along the surface’s Ti4+ rows at ~200 K. These results demonstrate that optimizing thermal processes (such as diffusion or proton transfer reactions) can be critical to maximizing photocatalytic reactivity on TiO2 surfaces. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle under contract DEAC05-76RL01830. The research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

  13. Sputtering of Oxygen Ice by Low Energy Ions

    E-Print Network [OSTI]

    Muntean, E A; Field, T A; Fitzsimmons, A; Hunniford, C A; McCullough, R W

    2015-01-01

    Naturally occurring ices lie on both interstellar dust grains and on celestial objects, such as those in the outer solar system. These ices are continu- ously subjected to irradiation by ions from the solar wind and/or cosmic rays, which modify their surfaces. As a result, new molecular species may form which can be sputtered off into space or planetary atmospheres. We determined the experimental values of sputtering yields for irradiation of oxygen ice at 10 K by singly (He+, C+, N+, O+ and Ar+) and doubly (C2+, N2+ and O2+) charged ions with 4 keV kinetic energy. In these laboratory experiments, oxygen ice was deposited and irradiated by ions in an ultra high vacuum chamber at low temperature to simulate the environment of space. The number of molecules removed by sputtering was observed by measurement of the ice thickness using laser interferometry. Preliminary mass spectra were taken of sputtered species and of molecules formed in the ice by temperature programmed desorption (TPD). We find that the experi...

  14. DOI: 10.1002/adma.200601830 RuO2 Nanowires and RuO2/TiO2 Core/Shell Nanowires: From

    E-Print Network [OSTI]

    Wang, Zhong L.

    the energy loss owing to the difference in refractive index between Ta2O5 and SiO2. Following the successful Research and Engineering (DDR&E), the Defense Advanced Research Project Agency (N66001

  15. Detoxification of superoxide without production of H2O2: antioxidant activity of superoxide reductase complexed with ferrocyanide

    E-Print Network [OSTI]

    Molina-Heredia, Fernando P; Berthomieu, Catherine; Touati, Danièle; Tremey, Emilie; Favaudon, Vincent; Adam, Virgile; Nivière, Vincent

    2015-01-01

    The superoxide radical O(2)(-.) is a toxic by-product of oxygen metabolism. Two O(2)(-.) detoxifying enzymes have been described so far, superoxide dismutase and superoxide reductase (SOR), both forming H2O2 as a reaction product. Recently, the SOR active site, a ferrous iron in a [Fe(2+) (N-His)(4) (S-Cys)] pentacoordination, was shown to have the ability to form a complex with the organometallic compound ferrocyanide. Here, we have investigated in detail the reactivity of the SOR-ferrocyanide complex with O(2)(-.) by pulse and gamma-ray radiolysis, infrared, and UV-visible spectroscopies. The complex reacts very efficiently with O(2)(-.). However, the presence of the ferrocyanide adduct markedly modifies the reaction mechanism of SOR, with the formation of transient intermediates different from those observed for SOR alone. A one-electron redox chemistry appears to be carried out by the ferrocyanide moiety of the complex, whereas the SOR iron site remains in the reduced state. Surprisingly, the toxic H2O2 s...

  16. DFT+U Study of CeO2 and Its Native Defects

    E-Print Network [OSTI]

    Huang, Bolong; Gillen, Roland; Robertson, John

    2014-10-14

    , Frenkel defect, pseudopotential transferability, oxidation catalyst 1. Introduction CeO2 is an important lanthanide oxide which is widely used as an oxygen buffer in car exhaust catalysts1, as a fast ion conductor in solid state fuel cells2, as a... 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 in a plane-wave basis set. The ensemble DFT (EDFT) method of Marzari et al48 is used...

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

    E-Print Network [OSTI]

    Atrazhev, Vadim V

    2014-01-01

    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.

  18. Strongly enhanced oxygen ion transport through samarium-doped CeO2

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail. (Conference)Feedback System inStatus of the MEICThermometry.nanopillars in

  19. ATMOSPHERIC CHEMISTRY AND PHYSICS

    E-Print Network [OSTI]

    Brandenburg, Axel

    of electronic formats. Some content that appears in print may not be available in electronic formats. For more information about Wiley products, visit our web site at www.wiley.com. Library of Congress Cataloging components of the atmosphere, nitrogen, oxygen, water, carbon dioxide, and the noble gases. In the late

  20. Oxygen production and carbon sequestration in an upwelling coastal Burke Hales,1

    E-Print Network [OSTI]

    Oxygen production and carbon sequestration in an upwelling coastal margin Burke Hales,1 Lee Karp), Oxygen production and carbon sequestration in an upwelling coastal margin, Global Biogeochem. Cycles, 20 of particulate organic carbon (POC) and dissolved O2 during the upwelling season off the Oregon coast. Oxygen

  1. Abiotic O$_{2}$ Levels on Planets around F, G, K, and M Stars: Possible False Positives for Life?

    E-Print Network [OSTI]

    Harman, C E; Schottelkotte, J C; Kasting, J F

    2015-01-01

    In the search for life on Earth-like planets around other stars, the first (and likely only) information will come from the spectroscopic characterization of the planet's atmosphere. Of the countless number of chemical species terrestrial life produces, only a few have the distinct spectral features and the necessary atmospheric abundance to be detectable. The easiest of these species to observe in Earth's atmosphere is O$_{2}$ (and its photochemical byproduct, O$_{3}$). But O$_{2}$ can also be produced abiotically by photolysis of CO$_{2}$, followed by recombination of O atoms with each other. CO is produced in stoichiometric proportions. Whether O$_{2}$ and CO can accumulate to appreciable concentrations depends on the ratio of far-UV to near-UV radiation coming from the planet's parent star and on what happens to these gases when they dissolve in a planet's oceans. Using a one-dimensional photochemical model, we demonstrate that O$_{2}$ derived from CO$_{2}$ photolysis should not accumulate to measurable c...

  2. Radiation damage in cubic-ZrO2 and yttria-stabilized zirconia from molecular dynamics simulations

    SciTech Connect (OSTI)

    Aidhy, Dilpuneet S; Zhang, Yanwen; Weber, William J

    2015-01-01

    We perform molecular dynamics simulation on cubic ZrO2 and yttria-stabilized zirconia (YSZ) to elucidate defect cluster formation resulting from radiation damage, and evaluate the impact of Y-dopants. Interstitial clusters composed of split-interstitial building blocks, i.e., Zr-Zr or Y-Zr are formed. Oxygen vacancies control cation defect migration; in their presence, Zr interstitials aggregate to form split-interstitials whereas in their absence Zr interstitials remain immobile, as isolated single-interstitials. Y-doping prevents interstitial cluster formation due to sequestration of oxygen vacancies.

  3. SnO2 atomic layer deposition on ZrO2 and Al nanoparticles: Pathway to enhanced thermite materials

    E-Print Network [OSTI]

    George, Steven M.

    SnO2 atomic layer deposition on ZrO2 and Al nanoparticles: Pathway to enhanced thermite materials J of Colorado, Boulder, CO 80309-0414, United States Available online 1 June 2005 Abstract Thermite mixtures with traditional thermite mixtures. One technique to create thermite mixtures with improved contact is to deposit

  4. Strain-induced phase and oxygen-vacancy stability in ionic interfaces from first-principles calculations

    SciTech Connect (OSTI)

    Aidhy, Dilpuneet S; Liu, Bin; Zhang, Yanwen; Weber, William J

    2014-01-01

    Understanding interfacial chemistry is becoming crucial in materials design for heterointerfaces. Using density functional theory, we elucidate the effect of strained interfaces on phase and oxygen-vacancy stability for CeO2 | ZrO2, ThO2 | ZrO2 and CeO2 | ThO2 interfaces. The calculations show that ZrO2 transforms from cubic fluorite to the orthorhombic columbite under tensile strain providing evidence of a previous experimental speculation of an unrecognized ZrO2 phase. We also show that oxygen vacancies could be preferably stabilized on either side of the interface by manipulating strain. We predict that they are stable in tensile-strain, and unstable in compressivestrained materials.

  5. Identification of an Archean marine oxygen oasis

    SciTech Connect (OSTI)

    Riding, Dr Robert E; Fralick, Dr Philip; Liang, Liyuan

    2014-01-01

    The early Earth was essentially anoxic. A number of indicators suggest the presence of oxygenic photosynthesis 2700 3000 million years (Ma) ago, but direct evidence for molecular oxygen (O2) in seawater has remained elusive. Here we report rare earth element (REE) analyses of 2800 million year old shallowmarine limestones and deep-water iron-rich sediments at Steep Rock Lake, Canada. These show that the seawater from which extensive shallow-water limestones precipitated was oxygenated, whereas the adjacent deeper waters where iron-rich sediments formed were not. We propose that oxygen promoted limestone precipitation by oxidative removal of dissolved ferrous iron species, Fe(II), to insoluble Fe(III) oxyhydroxide, and estimate that at least 10.25 M oxygen concentration in seawater was required to accomplish this at Steep Rock. This agrees with the hypothesis that an ample supply of dissolved Fe(II) in Archean oceans would have hindered limestone formation. There is no direct evidence for the oxygen source at Steep Rock, but organic carbon isotope values and diverse stromatolites in the limestones suggest the presence of cyanobacteria. Our findings support the view that during the Archean significant oxygen levels first developed in protected nutrient-rich shallow marine habitats. They indicate that these environments were spatially restricted, transient, and promoted limestone precipitation. If Archean marine limestones in general reflect localized oxygenic removal of dissolved iron at the margins of otherwise anoxic iron-rich seas, then early oxygen oases are less elusive than has been assumed.

  6. Atmospheric Environment ] (

    E-Print Network [OSTI]

    Raman, Sethu

    that the influence of the urban region on wind patterns and atmospheric stability could be studied. HeightAtmospheric Environment ] (

  7. Role of Water in Methanol Photochemistry on Rutile TiO2(110)

    SciTech Connect (OSTI)

    Shen, Mingmin; Henderson, Michael A.

    2012-08-07

    Photochemistry of the molecularly and dissociatively adsorbed forms of methanol on the vacuum-annealed rutile TiO2(110) surface was explored using temperature programmed desorption (TPD), both with and without coadsorbed water. Methoxy, and not methanol, was confirmed as the photochemically active form of adsorbed methanol on this surface. UV irradiation of methoxy-covered TiO2(110) lead to depletion of the methoxy coverage and formation of formaldehyde and a surface OH group. Coadsorbed water did not promote either molecular methanol photochemistry or thermal decomposition of methanol to methoxy. However, terminal OH groups (OHt), prepared by coadsorption of water and oxygen atoms, thermally converted molecularly adsorbed methanol to methoxy at 120 K, thus enabling photoactivity. While chemisorbed water molecules had no influence on methoxy photochemistry, water molecules hydrogen-bonded in the second layer to bridging oxygen (Obr) sites inhibited the methoxy photodecomposition to formaldehyde. From this we conclude that Obr sites accept protons from the hole-mediated conversion of methoxy to formaldehyde. These results provide new fundamental understanding of the hole-scavenging role of methanol in photochemical processes on TiO2-based materials and how water influences this photochemistry. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle under contract DEAC05-76RL01830. The research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

  8. Structure of epitaxial (Fe,N) codoped rutile TiO2 thin films by x-ray absorption

    SciTech Connect (OSTI)

    Kaspar, Tiffany C.; Ney, A.; Mangham, Andrew N.; Heald, Steve M.; Joly, Yves; Ney, V.; Wilhelm, F.; Rogalev, A.; Yakou, Flora; Chambers, Scott A.

    2012-07-23

    Homoepitaxial thin films of Fe:TiO2 and (Fe,N):TiO2 were deposited on rutile(110) by molecular beam epitaxy. X-ray absorption near edge spectroscopy (XANES) spectra were collected at the Ti L-edge, Fe L-edge, O K-edge, N K-edge, and Ti K-edge. No evidence of structural disorder associated with a high concentration of oxygen vacancies is observed. Substitution of Fe for Ti could not be confirmed, although secondary phase Fe2O3 and metallic Fe can be ruled out. The similarity of the N K-edge spectra to O, and the presence of a strong x-ray linear dichroism (XLD) signal for the N K-edge, indicates that N is substitutional for O in the rutile lattice, and is not present as a secondary phase such as TiN. Simulations of the XANES spectra qualitatively confirm substitution, although N appears to be present in more than one local environment. Neither Fe:TiO2 nor (Fe,N):TiO2 exhibit intrinsic room temperature ferromagnetism, despite the presence of mixed valence Fe(II)/Fe(III) in the reduced (Fe,N):TiO2 film.

  9. Electron-Stimulated Reactions and O-2 Production in Methanol-Covered Amorphous Solid Water Films

    SciTech Connect (OSTI)

    Akin, Minta C.; Petrik, Nikolay G.; Kimmel, Gregory A.

    2009-03-14

    The low-energy, electron-stimulated desorption (ESD) of molecular products from amorphous solid water (ASW) films capped with methanol is investigated versus methanol coverage (0 - 4 x 1015 cm-2) at 50 K using 100 eV incident electrons. The major ESD products from a monolayer of methanol on ASW are quite similar to the ESD products from bulk methanol film: H2, CH4, H2O, C2H6, CO, CH2O, and CH3OH. For 40 ML ASW films, the molecular oxygen, hydrogen, and water ESD yields from the ASW are suppressed with increasing methanol coverage, while the CH3OH ESD yield increases proportionally to the methanol coverage. The suppression of the water ESD products by methanol is consistent with the non-thermal reactions occurring preferentially at or near the ASW/vacuum interface and not in the interior of the film. The water and molecular hydrogen ESD yields from the water layer decrease exponentially with the methanol cap coverage with 1/e constants of ~ 0.6 x 1015 cm-2 and 1.6 x 1015 cm-2, respectively. In contrast, the O2 ESD from the water layer is very efficiently quenched by small amounts of methanol (1/e ~ 6.5 x 1013 cm-2). The rapid suppression of O2 production by small amounts of methanol is due to reactions between CH3OH and the precursors for the O2 - mainly OH radicals. A kinetic model for the O2 ESD which semi-quantitatively accounts for the observations is presented.

  10. Photocatalytic reduction of methylene blue by TiO2 nanotube arrays: effects of TiO2 crystalline phase

    E-Print Network [OSTI]

    Kang, Xiongwu; Chen, Shaowei

    2010-01-01

    arrays: effects of TiO 2 crystalline phase Xiongwu Kang •formation of well- de?ned anatase crystalline phase. Moreat 470 °C, the brookite crystalline phase also started to

  11. Sulfur and Oxygen Isotope Analysis of Sulfate at Micromole Levels Using a Pyrolysis Technique in a

    E-Print Network [OSTI]

    Alexander, Becky

    Sulfur and Oxygen Isotope Analysis of Sulfate at Micromole Levels Using a Pyrolysis Technique sample. The technique takes advantage of the easy pyrolysis of Ag2SO4 to SO2, O2, and Ag metal

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

    E-Print Network [OSTI]

    Microelectronically fabricated LiCoO2/SiO2/polycrystalline-silicon power cells planarized and characterized ultrathin solid-state thin-film power cells consisting of LiCoO2, SiO2, and polysilicon. Cells. Integrating a power unit onto a silicon chip requires the implementation of a thin-film solid-state battery

  13. Surface-structure sensitivity of CeO2 nanocrystals in photocatalysis and enhancing the reactivity with nanogold

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

    Lei, Wanying; Zhang, Tingting; Gu, Lin; Liu, Ping; Rodriguez, José A.; Liu, Gang; Liu, Minghua

    2015-06-19

    Structure–function correlations are a central theme in heterogeneous (photo)catalysis. In this research, using aberration-corrected scanning transmission electron microscopy (STEM), the atomic surface structures of well-defined one-dimensional (1D) CeO2 nanorods (NRs) and 3D nanocubes (NCs) are directly visualized at subangstrom resolution. CeO2 NCs predominantly expose the {100} facet, with {110} and {111} as minor cutoff facets at the respective edges and corners. Notably, the outermost surface layer of the {100} facet is nearly O-terminated. Neither surface relaxations nor reconstructions on {100} are observed, indicating unusual polarity compensation, which is primarily mediated by near-surface oxygen vacancies. The surface of CeO2 NRs ismore »highly stepped, with the enclosed {110} facet exposing Ce cations and O anions on terraces. On the basis of STEM profile-view imaging and electronic structure analysis, the photoreactivity of CeO2 nanocrystals toward aqueous methyl orange degradation under UV is revealed to be surface-structure-sensitive, following the order: {110} >> {100}. The underlying surface-structure sensitivity can be attributed to the variation in low-coordinate surface cerium cations between {110} and {100} facets. To further enhance light absorption, Au nanoparticles (NPs) are deposited on CeO2 NRs to form Au/CeO2 plasmonic nanocomposites, which dramatically promotes the photoreactivity that is Au particle size- and excitation light wavelength-dependent. The mechanisms responsible for the enhancement of photocatalytic activity are discussed, highlighting the crucial role of photoexcited charge carrier transfer.« less

  14. OXYGEN TRANSPORT CERAMIC MEMBRANES

    SciTech Connect (OSTI)

    Dr. Sukumar Bandopadhyay; Dr. Nagendra Nagabhushana

    2000-10-01

    This is the third quarterly report on oxygen Transport Ceramic Membranes. In the following, the report describes the progress made by our university partners in Tasks 1 through 6, experimental apparatus that was designed and built for various tasks of this project, thermodynamic calculations, where applicable and work planned for the future. (Task 1) Design, fabricate and evaluate ceramic to metal seals based on graded ceramic powder/metal braze joints. (Task 2) Evaluate the effect of defect configuration on ceramic membrane conductivity and long term chemical and structural stability. (Task 3) Determine materials mechanical properties under conditions of high temperatures and reactive atmospheres. (Task 4) Evaluate phase stability and thermal expansion of candidate perovskite membranes and develop techniques to support these materials on porous metal structures. (Task 5) Assess the microstructure of membrane materials to evaluate the effects of vacancy-impurity association, defect clusters, and vacancy-dopant association on the membrane performance and stability. (Task 6) Measure kinetics of oxygen uptake and transport in ceramic membrane materials under commercially relevant conditions using isotope labeling techniques.

  15. On the Origin and Implications of Li$_2$O$_2$ Toroid Formation in Nonaqueous Li-O$_2$ Batteries

    E-Print Network [OSTI]

    Aetukuri, Nagaphani B; García, Jeannette M; Krupp, Leslie E; Viswanathan, Venkatasubramanian; Luntz, Alan C

    2014-01-01

    The lithium-air (Li-O$_2$) battery has received enormous attention as a possible alternative to current state-of-the-art rechargeable Li-ion batteries given their high theoretical specific energy. However, the maximum discharge capacity in nonaqueous Li-O$_2$ batteries is limited to a small fraction of its theoretical value due to the insulating nature of lithium peroxide, Li$_2$O$_2$, the battery$'$s primary discharge product. In this work, we show that the inclusion of trace amounts of electrolyte additives, such as H$_2$O, significantly improve the capacity of the Li-O$_2$ battery. These additives trigger a solution-based growth mechanism due to their solvating properties, thereby circumventing the Li$_2$O$_2$ conductivity limitation. Experimental observations and a growth model imply that this solution mechanism is responsible for Li$_2$ toroid formation. We present a general formalism describing an additive$'$s tendency to trigger the solution process, providing a rational design route for electrolytes t...

  16. Reactivity Screening of Anatase TiO2 Nanotube Arrays and Anatase Thin Films: A Surface Chemistry Point of View

    SciTech Connect (OSTI)

    Funk, S.; Hokkanen, B.; Nurkic, T.; Goering, J.; Kadossov, E.; Burghaus, Uwe; Ghicov, A.; Schmuki, P.; Yu, Zhongqing; Thevuthasan, Suntharampillai; Saraf, Laxmikant V.

    2008-09-19

    As a reactivity screening we collected thermal desorption spectroscopy (TDS) data of iso-butane, O2, CO2, and CO adsorbed on ordered TiO2 nanotube (TiNTs) arrays. As a reference system iso-butane adsorption on an anatase TiO2 thin film has been considered as well. The as-grown TiNTs are vertically aligned and amorphous. Polycrystalline (poly.) anatase or poly. anatase/rutile mixed nanotubes are formed by annealing confirmed by x-ray diffraction (XRD) and scanning electron microscopy (SEM). The anatase thin film was grown on SrTiO3(001) and characterized by XRD and atomic force microscopy (AFM). Surprisingly, oxygen distinctly interacts with the TiNTs whereas this process is not observed on fully oxidized single crystal rutile TiO2(110). Desorption temperatures of 110-150 K and 100-120 K were observed for CO2 and CO, respectively, on the TiNTs. Variations in the binding energies of the alkanes on TiNTs and anatase thin films also were present, i.e., a structure-activity relationship (SAR) is evident.

  17. Constructing Hierarchical Interfaces: TiO2-Supported PtFe-FeOx Nanowires for Room Temperature CO Oxidation

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

    Zhu, Huiyuan; Wu, Zili; Dong, Su; Veith, Gabriel M; Lu, Hanfeng; Zhang, Pengfei; Chai, Songhai; Dai, Sheng

    2015-08-05

    This is a report of a facile approach to constructing catalytic active hierarchical interfaces in one-dimensional (1D) nanostructure, exemplified by the synthesis of TiO2-supported PtFe–FeOx nanowires (NWs). The hierarchical interface, constituting atomic level interactions between PtFe and FeOx within each NW and the interactions between NWs and support (TiO2), enables CO oxidation with 100% conversion at room temperature. We identify the role of the two interfaces by probing the CO oxidation reaction with isotopic labeling experiments. Both the oxygen atoms (Os) in FeOx and TiO2 participate in the initial CO oxidation, facilitating the reaction through a redox pathway. Moreover, themore »intact 1D structure leads to the high stability of the catalyst. After 30 h in the reaction stream, the PtFe–FeOx/TiO2 catalyst exhibits no activity decay. These results provide a general approach and new insights into the construction of hierarchical interfaces for advanced catalysis.« less

  18. Artificial Photosynthesis on TiO2-Passivated InP Nanopillars

    E-Print Network [OSTI]

    2015-01-01

    of TiO 2 by atomic layer deposition. The role of theseof TiO 2 by atomic layer deposition. Plane wave-densitycontaminants. 8 Atomic layer deposition (ALD) of TiO 2 was

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

    SciTech Connect (OSTI)

    Schaef, Herbert T.; Horner, Jacob A.; Owen, Antionette T.; Thompson, Christopher J.; Loring, John S.; McGrail, B. Peter

    2014-05-01

    Sequestering carbon dioxide (CO2) containing minor amounts of co-contaminants in geologic formations was investigated in the laboratory through the use of high pressure static experiments. Five different basalt samples were immersed in water equilibrated with supercritical CO2 containing 1wt% sulfur dioxide (SO2) and 1wt% oxygen (O2) at reservoir conditions (~100 bar, 90°C) for 49 and 98 days. Gypsum (CaSO4) was a common precipitate, occurred early as elongated blades with striations, and served as substrates for other mineral products. Bimodal pulses of water released during dehydroxylation were key indicators along with X-ray diffraction for verifying the presences of jarosite-alunite group minerals. Well-developed pseudocubic jarosite crystals formed surface coatings, and in some instances mixtures of natrojarosite and natroalunite aggregated into spherically shaped structures measuring 100 ?m in diameter. Reaction products were also characterized using infrared spectroscopy, which indicated OH and Fe-O stretching modes. The presences of jarosite-alunite group minerals were found in the lower wavenumber region from 700–400 cm-1. A strong preferential incorporation of Fe(III) into natrojarosite was attributed to the oxidation potential of O2. Evidence of CO2 was detected during thermal decomposition of precipitates, suggesting the onset of mineral carbonation.

  20. EFFICIENT OXYGEN SEPARATION MEMBRANE

    E-Print Network [OSTI]

    Mucina, Ladislav

    EFFICIENT OXYGEN SEPARATION MEMBRANE Summary of technology Oxygen can be separated from air using a uniquely structured ceramic ion transport membrane for oxygen separation thatshowsremarkablyhighflux © Curtin University 2013 Gas diffusion in conventional membrane Gas diffusion in new membrane New membrane

  1. igh-dielectricshavebeenactivelypursuedtoreplaceSiO2 asgate insulatorsforsilicondevices1

    E-Print Network [OSTI]

    McEuen, Paul L.

    with advanced gate dielectrics may open a new route to advanced miniature field- effectdevices. Single gates with SiO2 dielectrics18 and electrochemical gates with an aqueous electrolyte solution obtained by annealing the devices in hydrogen exhibit S ~ 90 mV per decade. High voltage gains of up to 60

  2. Comparative studies of low-temperature watergas shift reaction over Pt=CeO2, Au=CeO2,

    E-Print Network [OSTI]

    Gulari, Erdogan

    , has shown that ceria affects in a number of catalytic reactions. Cerium oxide or Ceria (CeO2) may attention re- cently because of their catalytic activity in low temperature CO oxidation, catalytic; accepted 13 March 2003 Abstract We studied catalytic low-temperature water­gas shift (WGS) reaction over

  3. Optical properties of bismuth-doped SiO2- or GeO2-based glass core optical fibers

    E-Print Network [OSTI]

    Firstova, Elena G

    2015-01-01

    A detailed study of optical properties of bismuth-doped fibers based on SiO2 and GeO2 glasses containing no other dopants has been carried out. To provide important information about spectroscopic properties of IR bismuth-related active centers (BAC) the excitation-emission fluorescence spectra for a spectral region of 220-2000 nm have been measured. The obtained three-dimensional spectra have been presented for different host glass compositions: silicate, germanate, aluminosilicate and phosphosilicate. Energy-level configuration and main radiative transitions associated with BACs in GeO2 and SiO2 glasses have been revealed. Fluorescence lifetime analysis of the basic radiative transitions of BAC have been carried out. It has been shown that the energy-level schemes of BAC-Si and BAC-Ge (BAC associated with silicon and germanium, respectively) are similar, corresponding BAC-Ge energy levels lying 10-16% lower than those of BAC-Si. It has been determined that BAC-Si, BAC-Ge and BAC-Si, BAC-P can exist simultan...

  4. Ascorbate dynamics and oxygen consumption during arousal from hibernation in Arctic ground squirrels

    E-Print Network [OSTI]

    Drew, Kelly L.

    at the time of peak O2 consumption and peak plasma urate production. The ascor- bate decrease didAscorbate dynamics and oxygen consumption during arousal from hibernation in Arctic ground and oxygen consumption during arousal from hibernation in Arctic ground squirrels. Am J Physiol Regulatory

  5. Photoelectrochemical and photocatalytic properties of N + S co-doped TiO2 nanotube array films under visible light irradiation

    E-Print Network [OSTI]

    Yan, Guotian; Houa, Jian; Yang, Jianjun; 10.1016/j.matchemphys.2011.04.063

    2011-01-01

    In this paper, we report on the co-doping nitrogen and sulfur has been achieved in the TiO2 nanotube array films by treatment with thiourea and calcination under vacuum at 500 {\\deg}C for 3 h. The samples were characterized by scanning electron microscopy, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and ultraviolet-visible diffuse reflectance spectroscopy. XPS spectra revealed that N might coexist in the forms of NTiO and NOTi, S was incorporated into the lattice of TiO2 through substituting oxygen atoms in the N + S co-doped TiO2 nanotube array films. XRD patterns indicated that improved crystallinity was obtained for N + S co-doped TiO2 nanotube arrays as compared to that of undoped TiO2 nanotube arrays. In photoelectrochemical measurements, the photocurrent of N + S co-doped TiO2 nanotube array films was greatly enhanced compared to that of undoped samples under visible light irradiation. And the photocatalytic activities of the samples were evaluated on the removal of methylene blue un...

  6. Synthesis of Na-Stabilized Nonporous tZrO2 Supports and Pt/t-ZrO2 Catalysts and Application to Water-Gas-Shift Reaction

    E-Print Network [OSTI]

    Poeppelmeier, Kenneth R.

    steam reforming,10 and epoxidation of olefins.11 ZrO2 exists primarily in three different polymorphs significantly affect the catalytic performance for chemical reactions. Ma et al. prepared t-ZrO2 using Na2CO3 catalytic performance for methanol synthesis from CO hydrogenation compared to amorphous and m-ZrO2

  7. Surface Passivation of Nanoporous TiO2 via Atomic Layer Deposition of ZrO2 for Solid-State Dye-Sensitized Solar Cell Applications

    E-Print Network [OSTI]

    Surface Passivation of Nanoporous TiO2 via Atomic Layer Deposition of ZrO2 for Solid-State Dye; ReVised Manuscript ReceiVed: August 22, 2009 We report here the utilization of atomic layer deposition to passivate surface trap states in mesoporous TiO2 nanoparticles for solid-state dye

  8. Basalt-Atmosphere Interactions on Venus -

    E-Print Network [OSTI]

    Treiman, Allan H.

    Atmosphere? · CaAl2Si2O8 + SO3 CaSO4 + Al2SiO5 + SiO2 ­ Anhydrite + andalusite + quartz !!! · Does this reaction proceed? ­ Venus atmosphere est'd 0.2 - 0.3 ppt SO3. #12;Reaction Position · From this, very possible that SO3 is buffered! · But ... SO3 value is not known very well - who knows what is really going

  9. Short communication TiO2 nanoparticles-decorated carbon nanotubes for significantly improved

    E-Print Network [OSTI]

    Short communication TiO2 nanoparticles-decorated carbon nanotubes for significantly improved to synthesize nanohybrids of anatase TiO2 nanoparticles-decorating carbon nanotubes (CNTs@TiO2). The nanohybrid a l a b s t r a c t TiO2 nanoparticles-decorated CNTs.

  10. Carbon monoxide annealed TiO2 nanotube array electrodes for efficient biosensor applications

    E-Print Network [OSTI]

    Cao, Guozhong

    Carbon monoxide annealed TiO2 nanotube array electrodes for efficient biosensor applications-grown and the O2-annealed TNT array electrodes. The improved biosensor properties of the TiO2 nanotube arrays were, particularly TiO2 nanotubes (TNT), which possess large surface areas, have been widely used as chemical sensors

  11. Anisotropic thermal transport in highly ordered TiO2 nanotube arrays Liying Guo,1

    E-Print Network [OSTI]

    Lin, Zhiqun

    Anisotropic thermal transport in highly ordered TiO2 nanotube arrays Liying Guo,1 Jun Wang,2 Zhiqun amorphous and anatase TiO2 nanotube arrays. Strong anisotropic thermal conductivity is observed: 0.617 W K-1 for amorphous TiO2 nanotube arrays. The anatase TiO2 nanotube arrays are found to have a higher and anisotropic

  12. Experimental study of the structure of rich premixed 1,3-butadiene/CH4/O2/Ar flame

    E-Print Network [OSTI]

    Gueniche, Hadj-Ali; Fournet, René; Battin-Leclerc, Frédérique

    2006-01-01

    The structure of a laminar rich premixed 1,3-C4H6/CH4/O2/Ar flame have been investigated. 1,3-Butadiene, methane, oxygen and argon mole fractions are 0.033; 0.2073; 0.3315, and 0.4280, respectively, for an equivalent ratio of 1.80. The flame has been stabilized on a burner at a pressure of 6.7 kPa (50 Torr). The concentration profiles of stable species were measured by gas chromatography after sampling with a quartz probe. Quantified species included carbon monoxide and dioxide, methane, oxygen, hydrogen, ethane, ethylene, acetylene, propyne, allene, propene, cyclopropane, 1,3-butadiene, butenes, 1-butyne, vinylacetylene, diacetylene, C5 compounds, benzene, and toluene. The temperature was measured thanks to a thermocouple in PtRh (6%)-PtRh (30%) settled inside the enclosure and ranged from 900 K close to the burner up to 2100 K.

  13. Net light-induced oxygen evolution in photosystem I deletion mutants of the cyanobacterium Synechocystis sp. PCC 6803

    E-Print Network [OSTI]

    Govindjee

    Net light-induced oxygen evolution in photosystem I deletion mutants of the cyanobacterium of net light-induced O2 evo- lution in vivo. The net light-induced O2 evolution requires glucose and can assimilate more CO2 in the light compared to the dark. However, the rate of the light-minus-dark CO2

  14. Solid state oxygen sensor

    DOE Patents [OSTI]

    Garzon, F.H.; Chung, B.W.; Raistrick, I.D.; Brosha, E.L.

    1996-08-06

    Solid state oxygen sensors are provided with a yttria-doped zirconia as an electrolyte and use the electrochemical oxygen pumping of the zirconia electrolyte. A linear relationship between oxygen concentration and the voltage arising at a current plateau occurs when oxygen accessing the electrolyte is limited by a diffusion barrier. A diffusion barrier is formed herein with a mixed electronic and oxygen ion-conducting membrane of lanthanum-containing perovskite or zirconia-containing fluorite. A heater may be used to maintain an adequate oxygen diffusion coefficient in the mixed conducting layer. 4 figs.

  15. Solid state oxygen sensor

    DOE Patents [OSTI]

    Garzon, Fernando H. (Sante Fe, NM); Chung, Brandon W. (Los Alamos, NM); Raistrick, Ian D. (Los Alamos, NM); Brosha, Eric L. (Los Alamos, NM)

    1996-01-01

    Solid state oxygen sensors are provided with a yttria-doped zirconia as an electrolyte and use the electrochemical oxygen pumping of the zirconia electrolyte. A linear relationship between oxygen concentration and the voltage arising at a current plateau occurs when oxygen accessing the electrolyte is limited by a diffusion barrier. A diffusion barrier is formed herein with a mixed electronic and oxygen ion-conducting membrane of lanthanum-containing perovskite or zirconia-containing fluorite. A heater may be used to maintain an adequate oxygen diffusion coefficient in the mixed conducting layer.

  16. Site Competition During Coadsorption of Acetone with Methanol and Water on TiO2(110)

    SciTech Connect (OSTI)

    Shen, Mingmin; Henderson, Michael A.

    2011-08-02

    The competitive interaction between acetone and two solvent molecules (methanol and water) for surface sites on rutile TiO2(110) was studied using temperature programmed desorption (TPD). On a vacuum reduced TiO2(110) surface, which possessed ~5% oxygen vacancy sites, excess methanol displaced preadsorbed acetone molecules to weakly bound and physisorbed desorption states below 200 K, whereas acetone was stabilized to 250 K against displacement by methanol on an oxidized surface through formation of an acetone-diolate species. These behaviors of acetone differ from the competitive interactions between acetone and water in that acetone is less susceptible to displacement by water. Examination of acetone+methanol and acetone+water multilayer combinations shows that acetone is more compatible in water-ice films than in methanol-ice films, presumably because water has greater potential as a hydrogen-bond donor than does methanol. Acetone molecules displaced from the TiO2(110) surface by water are more likely to be retained in the near-surface region, having a greater opportunity to revisit the surface, than when methanol is used as a coadsorbate. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  17. Compatibility of Lithium Salts with Solvent of the Non-Aqueous Electrolyte in Li–O2 Batteries

    SciTech Connect (OSTI)

    Du, Peng; Lu, Jun; Lau, Kah Chun; Luo, Xiangyi; Bareno, Javier; Zhang, Xiaoyi; Ren, Yang; Zhang, Zhengcheng; Curtiss, Larry A.; Sun, Yang-Kook; Amine, Khalil

    2013-02-20

    The stability of lithium salts, especially in the presence of reduced oxygen species, O2 and H2O (even in a small amount), plays an important role in the cyclability and capacity of Li–O2 cells. This combined experimental and computational study provides evidence that the stability of the electrolyte used in Li–O2 cells strongly depends on the compatibility of lithium salts with solvent. In the case of the LiPF6–1NM3 electrolyte, the decomposition of LiPF6 occurs in the cell as evidenced by in situ XRD, FT-IR and XPS analysis, which triggers the decomposition of 1NM3 solvent due to formation of HF from the decomposition of LiPF6. These reactions lead to degradation of the electrolyte and cause poor cyclability of the cell. The same reactions are not observed when LiTFSI and LiCF3SO3 are used as the lithium salts in 1NM3 solvent, or LiPF6 is used in TEGDME solvent.

  18. Heat Transfer between Graphene and Amorphous SiO2

    E-Print Network [OSTI]

    B. N. J. Persson; H. Ueba

    2010-07-22

    We study the heat transfer between graphene and amorphous SiO2. We include both the heat transfer from the area of real contact, and between the surfaces in the non-contact region. We consider the radiative heat transfer associated with the evanescent electromagnetic waves which exist outside of all bodies, and the heat transfer by the gas in the non-contact region. We find that the dominant contribution to the heat transfer result from the area of real contact, and the calculated value of the heat transfer coefficient is in good agreement with the value deduced from experimental data.

  19. O2Diesel Corporation formerly Dynamic Ventures | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QAsource History ViewMayo, Maryland:NPI VenturesNewSt. Louis, Minnesota:Nulato,Nyack, New Jump to:Medians |O2Diesel

  20. Compact Potentiometric O2/NOx Sensor | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:FinancingPetroleum Based Fuels|Programs |ChartPresentations:UlJmately , the1 DOE Hydrogen andO2/NOx

  1. Atmospheric Neutrinos

    E-Print Network [OSTI]

    Thomas K. Gaisser

    2006-12-11

    This paper is a brief overview of the theory and experimental data of atmospheric neutrino production at the fiftieth anniversary of the experimental discovery of neutrinos.

  2. Small, Inexpensive Combined NOx Sensor and O2 Sensor

    SciTech Connect (OSTI)

    W. N. Lawless; C. F. Clark, Jr.

    2008-09-08

    It has been successfully demonstrated in this program that a zirconia multilayer structure with rhodium-based porous electrodes performs well as an amperometric NOx sensor. The sensitivity of the sensor bodies operating at 650 to 700 C is large, with demonstrated current outputs of 14 mA at 500 ppm NOx from sensors with 30 layers. The sensor bodies are small (4.5 x 4.2 x 3.1 mm), rugged, and inexpensive. It is projected the sensor bodies will cost $5 - $10 in production. This program has built on another successful development program for an oxygen sensor based on the same principles and sponsored by DOE. This oxygen sensor is not sensitive to NOx. A significant technical hurdle has been identified and solved. It was found that the 100% Rh electrodes oxidize rapidly at the preferred operating temperatures of 650 - 700 C, and this oxidation is accompanied by a volume change which delaminates the sensors. The problem was solved by using alloys of Rh and Pt. It was found that a 10%/90% Rh/Pt alloy dropped the oxidation rate of the electrodes by orders of magnitude without degrading the NOx sensitivity of the sensors, allowing long-term stable operation at the preferred operating temperatures. Degradation in the sensor output caused by temperature cycling was identified as a change in resistance at the junction between the sensor body and the external leads attached to the sensor body. The degradation was eliminated by providing strong mechanical anchors for the wire and processing the junctions to obtain good electrical bonds. The NOx sensors also detect oxygen and therefore the fully-packaged sensor needs to be enclosed with an oxygen sensor in a small, heated zirconia chamber exposed to test gas through a diffusion plug which limits the flow of gas from the outside. Oxygen is pumped from the interior of the chamber to lower the oxygen content and the combination of measurements from the NOx and oxygen sensors yields the NOx content of the gas. Two types of electronic control units were designed and built. One control unit provides independent constant voltages to the NOx and oxygen sensors and reads the current from them (that is, detects the amount of test gas present). The second controller holds the fully-assembled sensor at the desired operating temperature and controllably pumps excess oxygen from the test chamber. While the development of the sensor body was a complete success, the development of the packaging was only partially successful. All of the basic principles were demonstrated, but the packaging was too complex to optimize the operation within the resources of the program. Thus, no fully-assembled sensors were sent to outside labs for testing of cross-sensitivities, response times, etc. Near the end of the program, Sensata Technologies of Attleboro, MA tested the sensor bodies and confirmed the CeramPhysics measurements as indicated in the following attached letter. Sensata was in the process of designing their own packaging for the sensor and performing cross-sensitivity tests when they stopped all sensor development work due to the automotive industry downturn. Recently Ceramatec Inc. of Salt Lake City has expressed an interest in testing the sensor, and other licensing opportunities are being pursued.

  3. Small, Inexpensive Combined NOx and O2 Sensor

    SciTech Connect (OSTI)

    W. Lawless; C. Clark

    2008-09-01

    It has been successfully demonstrated in this program that a zirconia multilayer structure with rhodium-based porous electrodes performs well as an amperometric NO{sub x} sensor. The sensitivity of the sensor bodies operating at 650 to 700 C is large, with demonstrated current outputs of 14 mA at 500 ppm NO{sub x} from sensors with 30 layers. The sensor bodies are small (4.5 x 4.2 x 3.1 mm), rugged, and inexpensive. It is projected the sensor bodies will cost $5-$10 in production. This program has built on another successful development program for an oxygen sensor based on the same principles and sponsored by DOE. This oxygen sensor is not sensitive to NO{sub x}. A significant technical hurdle has been identified and solved. It was found that the 100% Rh electrodes oxidize rapidly at the preferred operating temperatures of 650-700 C, and this oxidation is accompanied by a volume change which delaminates the sensors. The problem was solved by using alloys of Rh and Pt. It was found that a 10%/90% Rh/Pt alloy dropped the oxidation rate of the electrodes by orders of magnitude without degrading the NO{sub x} sensitivity of the sensors, allowing long-term stable operation at the preferred operating temperatures. Degradation in the sensor output caused by temperature cycling was identified as a change in resistance at the junction between the sensor body and the external leads attached to the sensor body. The degradation was eliminated by providing strong mechanical anchors for the wire and processing the junctions to obtain good electrical bonds. The NO{sub x} sensors also detect oxygen and therefore the fully-packaged sensor needs to be enclosed with an oxygen sensor in a small, heated zirconia chamber exposed to test gas through a diffusion plug which limits the flow of gas from the outside. Oxygen is pumped from the interior of the chamber to lower the oxygen content and the combination of measurements from the NO{sub x} and oxygen sensors yields the NO{sub x} content of the gas. Two types of electronic control units were designed and built. One control unit provides independent constant voltages to the NOx and oxygen sensors and reads the current from them (that is, detects the amount of test gas present). The second controller holds the fully-assembled sensor at the desired operating temperature and controllably pumps excess oxygen from the test chamber. While the development of the sensor body was a complete success, the development of the packaging was only partially successful. All of the basic principles were demonstrated, but the packaging was too complex to optimize the operation within the resources of the program. Thus, no fully-assembled sensors were sent to outside labs for testing of cross-sensitivities, response times, etc. Near the end of the program, Sensata Technologies of Attleboro, MA tested the sensor bodies and confirmed the CeramPhysics measurements as indicated in the following attached letter. Sensata was in the process of designing their own packaging for the sensor and performing cross-sensitivity tests when they stopped all sensor development work due to the automotive industry downturn. Recently Ceramatec Inc. of Salt Lake City has expressed an interest in testing the sensor, and other licensing opportunities are being pursued.

  4. Solid state oxygen sensor

    DOE Patents [OSTI]

    Garzon, Fernando H. (Santa Fe, NM); Brosha, Eric L. (Los Alamos, NM)

    1997-01-01

    A potentiometric oxygen sensor is formed having a logarithmic response to a differential oxygen concentration while operating as a Nernstian-type sensor. Very thin films of mixed conducting oxide materials form electrode services while permitting diffusional oxygen access to the interface between the zirconia electrolyte and the electrode. Diffusion of oxygen through the mixed oxide is not rate-limiting. Metal electrodes are not used so that morphological changes in the electrode structure do not occur during extended operation at elevated temperatures.

  5. Measurements and analysis of CO and O2 emissions in CH4/CO2/O2 flames

    E-Print Network [OSTI]

    Lieuwen, Timothy C.

    accommodate carbon dioxide capture and sequestration. Oxy-fuel combustion, where the fuel is combusted Inc. All rights reserved. Keywords: Oxy-fuel; Carbon dioxide; Carbon capture; Carbon monoxide; Oxygen combus- tion techniques that can accommodate capture and sequestration of carbon dioxide. This can

  6. Synthesis, Structure, and Electrochemical Performance of High Capacity Li2Cu0.5Ni0.5O2 Cathodes

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

    Ruther, Rose E; Zhou, Hui; Dhital, Chetan; Saravanan, Kuppan; Kercher, Andrew K.; Chen, Guoying; Huq, Ashfia; Delnick, Frank M.; Nanda, Jagjit

    2015-09-08

    Orthorhombic Li2NiO2, Li2CuO2, and solid solutions thereof have been studied as potential cathode materials for lithium-ion batteries due to their high theoretical capacity and relatively low cost. While neither endmember shows good cycling stability, the intermediate composition, Li2Cu0.5Ni0.5O2, yields reasonably high reversible capacities. A new synthetic approach and detailed characterization of this phase and the parent Li2CuO2 are presented. The cycle life of Li2Cu0.5Ni0.5O2 is shown to depend critically on the voltage window. The formation of Cu1+ at low voltage and oxygen evolution at high voltage limit the electrochemical reversibility. In situ X-ray absorption spectroscopy (XAS), in situ Raman spectroscopy,more »and gas evolution measurements are used to follow the chemical and structural changes that occur as a function of cell voltage.« less

  7. Oxygen partial pressure sensor

    DOE Patents [OSTI]

    Dees, D.W.

    1994-09-06

    A method for detecting oxygen partial pressure and an oxygen partial pressure sensor are provided. The method for measuring oxygen partial pressure includes contacting oxygen to a solid oxide electrolyte and measuring the subsequent change in electrical conductivity of the solid oxide electrolyte. A solid oxide electrolyte is utilized that contacts both a porous electrode and a nonporous electrode. The electrical conductivity of the solid oxide electrolyte is affected when oxygen from an exhaust stream permeates through the porous electrode to establish an equilibrium of oxygen anions in the electrolyte, thereby displacing electrons throughout the electrolyte to form an electron gradient. By adapting the two electrodes to sense a voltage potential between them, the change in electrolyte conductivity due to oxygen presence can be measured. 1 fig.

  8. Oxygen partial pressure sensor

    DOE Patents [OSTI]

    Dees, Dennis W. (Downers Grove, IL)

    1994-01-01

    A method for detecting oxygen partial pressure and an oxygen partial pressure sensor are provided. The method for measuring oxygen partial pressure includes contacting oxygen to a solid oxide electrolyte and measuring the subsequent change in electrical conductivity of the solid oxide electrolyte. A solid oxide electrolyte is utilized that contacts both a porous electrode and a nonporous electrode. The electrical conductivity of the solid oxide electrolyte is affected when oxygen from an exhaust stream permeates through the porous electrode to establish an equilibrium of oxygen anions in the electrolyte, thereby displacing electrons throughout the electrolyte to form an electron gradient. By adapting the two electrodes to sense a voltage potential between them, the change in electrolyte conductivity due to oxygen presence can be measured.

  9. Improved thermal stability of LiCoO2 by nanoparticle AlPO4 coating with respect to spinel Li1:05Mn1:95O4

    E-Print Network [OSTI]

    Cho, Jaephil

    secondary batteries has rapidly expanded due to their applicability to mobile electron- ics batteries use LiCoO2 as a cathode material due to the higher volumetric energy density and excel- lent, resulting in oxygen generation [7]. In addition, the deposited lithium on the graphite anode increases

  10. Low Temperature Autoignition of C8H16O2 Ethyl and Methyl Esters...

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

    Temperature Autoignition of C8H16O2 Ethyl and Methyl Esters in a Motored Engine Low Temperature Autoignition of C8H16O2 Ethyl and Methyl Esters in a Motored Engine qThe alkyl chain...

  11. Activation of a MnO2 cathode by water-stimulated Mg2+ insertion...

    Office of Scientific and Technical Information (OSTI)

    Activation of a MnO2 cathode by water-stimulated Mg2+ insertion for a magnesium ion battery Citation Details In-Document Search Title: Activation of a MnO2 cathode by...

  12. In-situ Electrical Conductivity of LixMnO2 Nanowires as a Function...

    Office of Scientific and Technical Information (OSTI)

    In-situ Electrical Conductivity of LixMnO2 Nanowires as a Function of "x" and Size Citation Details In-Document Search Title: In-situ Electrical Conductivity of LixMnO2 Nanowires...

  13. Fabrication of 3D Core-Shell Multiwalled Carbon Nanotube@RuO2...

    Office of Scientific and Technical Information (OSTI)

    Multiwalled Carbon Nanotube@RuO2 Lithium-Ion Battery Electrodes through a RuO2 Atomic Layer Deposition Process Citation Details In-Document Search Title: Fabrication of 3D...

  14. The Molecular Oxygen Tetramer: Intermolecular Interactions and Implications for the $\\epsilon$ Solid Phase

    E-Print Network [OSTI]

    Bartolomei, Massimiliano; Hernández, Marta I; Pérez-Ríos, Jesús; Campos-Martínez, José; Hernández-Lamoneda, Ramón

    2011-01-01

    Recent data have determined that the structure of the high pressure $\\epsilon$ phase of solid oxygen consists of clusters composed of four O$_2$ molecules. This finding has opened the question about the nature of the intermolecular interactions within the molecular oxygen tetramer. We use multiconfigurational ab initio calculations to obtain an adequate characterization of the ground singlet state of (O$_2$)$_4$ which is compatible with the non magnetic character of the $\\epsilon$ phase. In contrast to previous suggestions implying chemical bonding, we show that (O$_2$)$_4$ is a van der Waals like cluster where exchange interactions preferentially stabilize the singlet state. However, as the cluster shrinks, there is an extra stabilization due to many-body interactions that yields a significant softening of the repulsive wall. We show that this short range behavior is a key issue for the understanding of the structure of $\\epsilon$-oxygen.

  15. CO Oxidation at the Interface between Doped CeO2 and Supported Au Nanoclusters

    E-Print Network [OSTI]

    Henkelman, Graeme

    nanoclusters (NCs) supported on either CeO2 or doped (X-Ce)O2 (X = Au, Pt, Pd, Ti, Ru, Zr) show that dopingCO Oxidation at the Interface between Doped CeO2 and Supported Au Nanoclusters Hyun You Kim, we study the e ect of doping on CO oxidation catalyzed by CeO2-supported Au13 NCs and, especially, CO

  16. Imaging Hindered Rotations of Alkoxy Species on TiO2(110)

    SciTech Connect (OSTI)

    Zhang, Zhenrong; Rousseau, Roger J.; Gong, Jinlong; Kay, Bruce D.; Dohnalek, Zdenek

    2009-12-16

    We present the first study of the rotational dynamics of organic species on any oxide surface. Specifically, variable-temperature scanning tunneling microscopy (STM) and dispersion-corrected density functional theory are used to study the alkyl chain conformational disorder and dynamics of 1-, 2-, 3- and 4-octoxy on rutile TiO2(110). Initially, the geminate pairs of the octoxy and bridging hydroxyl species are created via octanol dissociation on bridging-oxygen (Ob) vacancy defects. The STM images provide time averaged snapshots of octoxy species rotating among multiple energetically nearly-degenerate configurations accessible at a given temperature. In the calculations we find that the underlying corrugated potential energy surface is a result of the interplay between attractive Van der Waals dispersion forces leading to weak attractive C...Ti and repulsive C...Ob interactions which lead to large barriers of 50-70kJmol-1 for the rotation of the octoxy alkyl chains across the Ob rows. In the presence of the germinal hydroxyl groups we find that the relative populations of the various conformations as well as the rotational barriers are perturbed by the presence of geminate hydroxyl due to additional C...hydroxyl repulsions.

  17. The change in oceanic O2 inventory associated with recent global warming

    E-Print Network [OSTI]

    Keeling, Ralph

    The change in oceanic O2 inventory associated with recent global warming Ralph F. Keeling, 2002 (received for review September 24, 2001) Oceans general circulation models predict that global warming may cause a decrease in the oceanic O2 inventory and an associated O2 outgassing. An independent

  18. Retrieval of global hydrogen peroxide (H2O2) profiles using ENVISAT-MIPAS

    E-Print Network [OSTI]

    Oxford, University of

    Retrieval of global hydrogen peroxide (H2O2) profiles using ENVISAT-MIPAS E. Papandrea,1,2 A2O2. We demonstrate the feasibility of profile retrievals in the range 6­35 km and obtain zonal mean), Retrieval of global hydrogen peroxide (H2O2) profiles using ENVISAT-MIPAS, Geophys. Res. Lett., 32, L14809

  19. Branched CNT@SnO2 nanorods@carbon hierarchical heterostructures for lithium ion

    E-Print Network [OSTI]

    Qi, Limin

    Branched CNT@SnO2 nanorods@carbon hierarchical heterostructures for lithium ion batteries with high used as an anode material in lithium ion batteries, the branched CNT@SnO2@C heterostructures exhibited of the 1D mesocrystalline SnO2 nanorods. Introduction Lithium ion batteries (LIBs) have become

  20. Investigation into Photoconductivity in Single CNF/TiO2-Dye Core–Shell Nanowire Devices

    E-Print Network [OSTI]

    Li, Zhuangzhi; Rochford, Caitlin; Baca, Francisco Javier A.

    2010-06-15

    A vertically aligned carbon nanofiber array coated with anatase TiO2 (CNF/TiO2) is an attractive possible replacement for the sintered TiO2 nanoparticle network in the original dye-sensitized solar cell (DSSC) design due to the potential...

  1. Exciton-like trap states limit electron mobility in TiO2 nanotubes

    E-Print Network [OSTI]

    Exciton-like trap states limit electron mobility in TiO2 nanotubes Christiaan Richter and Charles A , that low mobility in polycrystalline TiO2 nanotubes is not due to scattering from grain boundaries (electrons) be transported through an anodic TiO2 electrode, either along the length of nanotubes in the case

  2. Electromechanical properties of freestanding graphene functionalized with tin oxide (SnO2) nanoparticles

    E-Print Network [OSTI]

    Thibado, Paul M.

    -type inorganic nanocrystals formed from materials such as ZnO, TiO2, SnO2, etc.2,3 In particular, SnO2,8 Single-walled carbon nanotubes promise even more efficient conversion due to their potentially large sur carbon nanotubes by a chemical solution route.10 Nanotubes have proved difficult to work with, however

  3. Freestanding TiO2 Nanotube Arrays with Ultrahigh Aspect Ratio via Electrochemical Anodization

    E-Print Network [OSTI]

    Lin, Zhiqun

    Articles Freestanding TiO2 Nanotube Arrays with Ultrahigh Aspect Ratio via Electrochemical,5 photocatalytic,6 and solar cells.7­10 In the latter context, each individual TiO2 nanotube is perpendicular acid (HF) aqueous solution was used as electrolyte, the maximum thickness of TiO2 nanotube arrays

  4. Significantly accelerated osteoblast cell growth on aligned TiO2 nanotubes

    E-Print Network [OSTI]

    Daraio, Chiara

    Significantly accelerated osteoblast cell growth on aligned TiO2 nanotubes Seunghan Oh, Chiara: Vertically aligned yet laterally spaced nanoscale TiO2 nanotubes have been grown on Ti by anodization/propagation of the osteoblast is substantially improved by the topography of the TiO2 nanotubes with the filopodia of growing

  5. Leakage current and dielectric breakdown behavior in annealed SiO2 aerogel films

    E-Print Network [OSTI]

    Jo, Moon-Ho

    Leakage current and dielectric breakdown behavior in annealed SiO2 aerogel films Moon-Ho Jo behavior in annealed SiO2 aerogel films for intermetal dielectric applications was investigated in a metal­insulator­semiconductor structure. SiO2 aerogel films with porosities of 70% exhibited Poole­Frenkel conduction both before

  6. Oxygen contamination in liquid Argon: combined effects on ionization electron charge and scintillation light

    E-Print Network [OSTI]

    R. Acciarri; M. Antonello; B. Baibussinov; M. Baldo-Ceolin; P. Benetti; F. Calaprice; E. Calligarich; M. Cambiaghi; N. Canci; F. Carbonara; F. Cavanna; S. Centro; A. G. Cocco; F. Di Pompeo; G. Fiorillo; C. Galbiati; V. Gallo; L. Grandi; G. Meng; I. Modena; C. Montanari; O. Palamara; L. Pandola; F. Pietropaolo; G. L. Raselli; M. Roncadelli; M. Rossella; C. Rubbia; E. Segreto; A. M. Szelc; F. Tortorici; S. Ventura; C. Vignoli

    2008-04-08

    A dedicated test of the effects of Oxygen contamination in liquid Argon has been performed at the INFN-Gran Sasso Laboratory (LNGS, Italy) within the WArP R&D program. Two detectors have been used: the WArP 2.3 lt prototype and a small (0.7 lt) dedicated detector, coupled with a system for the injection of controlled amounts of gaseous Oxygen. Purpose of the test with the 0.7 lt detector is to detect the reduction of the long-lived component lifetime of the Argon scintillation light emission at increasing O2 concentration. Data from the WArP prototype are used for determining the behavior of both the ionization electron lifetime and the scintillation long-lived component lifetime during the O2-purification process activated in closed loop during the acquisition run. The electron lifetime measurements allow to infer the O2 content of the Argon and correlate it with the long-lived scintillation lifetime data. The effect of Oxygen contamination on the scintillation light has been thus measured over a wide range of O2 concentration, spanning from about 10^-3 ppm up to about 10 ppm. The rate constant of the light quenching process induced by Oxygen in LAr has been found to be k'(O2)=0.54+-0.03 micros^-1 ppm^-1.

  7. Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries

    E-Print Network [OSTI]

    Thygesen, Kristian

    -O2 batteries V. Viswanathan, K. S. Thygesen, J. S. Hummelshøj, J. K. Nørskov, G. Girishkumar et al limitations in non-aqueous Li-O2 batteries V. Viswanathan,1 K. S. Thygesen,2 J. S. Hummelshøj,3 J. K. Nørskov energy density battery couple. Such cells, however, show sudden death at capacities far below

  8. Systematic Modulation of Quantum (Electron) Tunneling Behavior by Atomic Layer Deposition on Nanoparticulate SnO2 and TiO2

    E-Print Network [OSTI]

    Systematic Modulation of Quantum (Electron) Tunneling Behavior by Atomic Layer Deposition were conformally created on SnO2 and TiO2 photo- electrodes via atomic layer deposition (ALD undesired, additional conduits for ET.13 In contrast, atomic layer deposition (ALD),14-19 which typically

  9. Density functional theory study of first-layer adsorption of ZrO2 and HfO2 on Ge(100)

    E-Print Network [OSTI]

    Kummel, Andrew C.

    in this manuscript), usually grown by atomic layer deposition (ALD). These oxides, under normal Ge process- ingDensity functional theory study of first-layer adsorption of ZrO2 and HfO2 on Ge(100) T.J. Grassman

  10. Charging properties of cassiterite (alfa-SnO2) surfaces

    SciTech Connect (OSTI)

    Rosenqvist, Jorgen K; Machesky, Michael L.; Vlcek, L.; Cummings, Peter T; Wesolowski, David J

    2009-01-01

    The acid-base properties of cassiterite (alfa-SnO2) surfaces at 10 50 C were studied using potentiometric titrations of powder suspensions in aqueous NaCl and RbCl media. The proton sorption isotherms exhibited common intersection points in the pH-range 4.0 to 4.5 at all conditions and the magnitude of charging was similar but not identical in NaCl and RbCl. The hydrogen bonding configuration at the oxide-water interface, obtained from classical Molecular Dynamics (MD) simulations, was analyzed in detail and the results were explicitly incorporated in calculations of protonation constants for the reactive surface sites using the revised MUSIC model. The calculations indicated that the terminal SnOH2 group is more acidic than the bridging Sn2OH group, with protonation constants (log KH) of 3.60 and 5.13 at 25 C, respectively. This is contrary to the situation on the isostructural alfa-TiO2 (rutile), apparently due to the difference in electronegativity between Ti and Sn. MD simulations and speciation calculations indicated considerable differences in the speciation of Na+ and Rb+, despite the similarities in overall charging. Adsorbed sodium ions are almost exclusively found in bidentate surface complexes, while adsorbed rubidium ions form comparable amounts of bidentate and tetradentate complexes. Also, the distribution of adsorbed Na+ between the different complexes shows a considerable dependence on surface charge density (pH), while the distribution of adsorbed Rb+ is almost independent of pH. A Surface Complexation Model (SCM) capable of accurately describing both the measured surface charge and the MD predicted speciation of adsorbed Na+/Rb+ was formulated. According to the SCM, the deprotonated terminal group (SnOH-0.40) and the protonated bridging group (Sn2OH+0.36) dominate the surface speciation over the entire pH-range (2.7 10), illustrating the ability of positively and negatively charged surface groups to coexist. Complexation of the medium cations increases significantly with increasing negative surface charge and at pH 10 roughly 40 percent of the terminal sites are predicted to form cation complexes, while anion complexation is minor throughout the studied pH-range.

  11. Integrated turbomachine oxygen plant

    SciTech Connect (OSTI)

    Anand, Ashok Kumar; DePuy, Richard Anthony; Muthaiah, Veerappan

    2014-06-17

    An integrated turbomachine oxygen plant includes a turbomachine and an air separation unit. One or more compressor pathways flow compressed air from a compressor through one or more of a combustor and a turbine expander to cool the combustor and/or the turbine expander. An air separation unit is operably connected to the one or more compressor pathways and is configured to separate the compressed air into oxygen and oxygen-depleted air. A method of air separation in an integrated turbomachine oxygen plant includes compressing a flow of air in a compressor of a turbomachine. The compressed flow of air is flowed through one or more of a combustor and a turbine expander of the turbomachine to cool the combustor and/or the turbine expander. The compressed flow of air is directed to an air separation unit and is separated into oxygen and oxygen-depleted air.

  12. Oxygen ion conducting materials

    DOE Patents [OSTI]

    Carter, J. David; Wang, Xiaoping; Vaughey, John; Krumpelt, Michael

    2004-11-23

    An oxygen ion conducting ceramic oxide that has applications in industry including fuel cells, oxygen pumps, oxygen sensors, and separation membranes. The material is based on the idea that substituting a dopant into the host perovskite lattice of (La,Sr)MnO.sub.3 that prefers a coordination number lower than 6 will induce oxygen ion vacancies to form in the lattice. Because the oxygen ion conductivity of (La,Sr)MnO.sub.3 is low over a very large temperature range, the material exhibits a high overpotential when used. The inclusion of oxygen vacancies into the lattice by doping the material has been found to maintain the desirable properties of (La,Sr)MnO.sub.3, while significantly decreasing the experimentally observed overpotential.

  13. Oxygen ion conducting materials

    DOE Patents [OSTI]

    Vaughey, John (Elmhurst, IL); Krumpelt, Michael (Naperville, IL); Wang, Xiaoping (Downers Grove, IL); Carter, J. David (Bolingbrook, IL)

    2003-01-01

    An oxygen ion conducting ceramic oxide that has applications in industry including fuel cells, oxygen pumps, oxygen sensors, and separation membranes. The material is based on the idea that substituting a dopant into the host perovskite lattice of (La,Sr)MnO.sub.3 that prefers a coordination number lower than 6 will induce oxygen ion vacancies to form in the lattice. Because the oxygen ion conductivity of (La,Sr)MnO.sub.3 is low over a very large temperature range, the material exhibits a high overpotential when used. The inclusion of oxygen vacancies into the lattice by doping the material has been found to maintain the desirable properties of (La,Sr)MnO.sub.3, while significantly decreasing the experimentally observed overpotential.

  14. Oxygen ion conducting materials

    DOE Patents [OSTI]

    Vaughey, John; Krumpelt, Michael; Wang, Xiaoping; Carter, J. David

    2005-07-12

    An oxygen ion conducting ceramic oxide that has applications in industry including fuel cells, oxygen pumps, oxygen sensors, and separation membranes. The material is based on the idea that substituting a dopant into the host perovskite lattice of (La,Sr)MnO.sub.3 that prefers a coordination number lower than 6 will induce oxygen ion vacancies to form in the lattice. Because the oxygen ion conductivity of (La,Sr)MnO.sub.3 is low over a very large temperature range, the material exhibits a high overpotential when used. The inclusion of oxygen vacancies into the lattice by doping the material has been found to maintain the desirable properties of (La,Sr)MnO.sub.3, while significantly decreasing the experimentally observed overpotential.

  15. INEL 6069, Sandra L. Cruz Pol 4/6/14 Microwave Interactions with Atmospheric

    E-Print Network [OSTI]

    Cruz-Pol, Sandra L.

    .93 Ni O2 Ar Other components: Carbon dioxide (CO2), Neon (Ne), Helium (He), Methane (CH4), Krypton (Kr Microwave Interactions with the Atmosphere Dr. Sandra Cruz Pol Microwave Remote Sensing INEL 6669 Dept

  16. Co-operativity among defect sites in AnO2+ and An4O9 (An = U, Np or Pu)

    SciTech Connect (OSTI)

    Andersson, Anders David; Lezama Pacheco, Juan; Uberuaga, Blas P; Conradson, Steven D

    2008-01-01

    Actinide dioxides derived from the AnO{sub 2} fluorite lattice are of high technological relevance due to their application in nuclear reactor fuels. Oxidation of AnO{sub 2} compounds emerges as a central theme in fuel fabrication, reactor operation, long-term storage forms for both spent fuels and surplus weapons materials, and environmental actinide migration. In this paper, we use density functional theory calculations to study the oxidation of uranium, neptunium and plutonium dioxides, AnO{sub 2} (An = U, Np or Pu), in O{sub 2} and O{sub 2}/H{sub 2}O environments. We pay particular attention to the formation of oxygen clusters (co-operativity) in AnO{sub 2+x} and how this phenomenon govern oxidation thermodynamics and the development of ordered An{sub 4}O{sub 9} compounds. The so-called split di-interstitial, which is composed of two nearest neighbor octahedral oxygen interstitials that are distorted in such a way that they dislocate one regular fluorite lattice oxygen ion to form a cluster of triangular geometry, is predicted to be the fundamental building block of the most stable cluster configurations. We also identify how the formation of oxygen defect clusters and the degree of oxidation in AnO{sub 2+x} are both governed by the characer of the An-5f to excess O-2p charger transfer, i.e. the charge transfer to the O-2p orbitals of the interstitial-like (+x) ions, and the ability of the excess O-2p orbitals to hybridize with regular fluorite lattice ions.

  17. Synergistic Oxygen Evolving Activity of a TiO2Rich Reconstructed SrTiO3(001) Surface

    E-Print Network [OSTI]

    Rappe, Andrew M.

    19104-6323 United States Department of Materials Science and Engineering, University of Pennsylvania in photochemical solar energy conversion, since the UV range is only 9% of the solar energy output. It has also, Philadelphia, Pennsylvania 19104-6202 United States Center for Computational Science, Korea Institute

  18. Solid state oxygen sensor

    DOE Patents [OSTI]

    Garzon, F.H.; Brosha, E.L.

    1997-12-09

    A potentiometric oxygen sensor is formed having a logarithmic response to a differential oxygen concentration while operating as a Nernstian-type sensor. Very thin films of mixed conducting oxide materials form electrode services while permitting diffusional oxygen access to the interface between the zirconia electrolyte and the electrode. Diffusion of oxygen through the mixed oxide is not rate-limiting. Metal electrodes are not used so that morphological changes in the electrode structure do not occur during extended operation at elevated temperatures. 6 figs.

  19. Lithium Salts for Advanced Lithium Batteries: Li-metal, Li-O2, and Li-S

    SciTech Connect (OSTI)

    Younesi, Reza; Veith, Gabriel M; Johansson, Patrik; Edstrom, Kristina; Vegge, Tejs

    2015-01-01

    Presently lithium hexafluorophosphate (LiPF6) is the dominant Li-salt used in commercial rechargeable lithium-ion batteries (LIBs) based on a graphite anode and a 3-4 V cathode material. While LiPF6 is not the ideal Li-salt for every important electrolyte property, it has a uniquely suitable combination of properties (temperature range, passivation, conductivity, etc.) rendering it the overall best Li-salt for LIBs. However, this may not necessarily be true for other types of Li-based batteries. Indeed, next generation batteries, for example lithium-metal (Li-metal), lithium-oxygen (Li-O2), and lithium sulphur (Li-S), require a re-evaluation of Li-salts due to the different electrochemical and chemical reactions and conditions within such cells. This review explores the critical role Li-salts play in ensuring in these batteries viability.

  20. Ti-substituted tunnel-type Na0.44MnO2 oxide as a negative electrode for aqueous sodium-ion batteries

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

    Wang, Yuesheng; Liu, Jue; Lee, Byungju; Qiao, Ruimin; Yang, Zhenzhong; Xu, Shuyin; Yu, Xiqian; Gu, Lin; Hu, Yong-Sheng; Yang, Wanli; et al

    2015-03-25

    The aqueous sodium-ion battery system is a safe and low-cost solution for large-scale energy storage, due to the abundance of sodium and inexpensive aqueous electrolytes. Although several positive electrode materials, e.g., Na0.44MnO2, were proposed, few negative electrode materials, e.g., activated carbon and NaTi2(PO4)3, are available. Here we show that Ti-substituted Na0.44MnO2 (Na0.44[Mn1-xTix]O2) with tunnel structure can be used as a negative electrode material for aqueous sodium-ion batteries. This material exhibits superior cyclability even without the special treatment of oxygen removal from the aqueous solution. Atomic-scale characterizations based on spherical aberration-corrected electron microscopy and ab initio calculations are utilized to accuratelymore »identify the Ti substitution sites and sodium storage mechanism. Ti substitution tunes the charge ordering property and reaction pathway, significantly smoothing the discharge/charge profiles and lowering the storage voltage. Both the fundamental understanding and practical demonstrations suggest that Na0.44[Mn1-xTix]O2 is a promising negative electrode material for aqueous sodium-ion batteries.« less

  1. Ti-substituted tunnel-type Na0.44MnO2 oxide as a negative electrode for aqueous sodium-ion batteries

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

    Wang, Yuesheng [Chinese Academy of Sciences (CAS), Beijing (China). Inst. of High Energy Physics (IHEP); Liu, Jue [Brookhaven National Lab. (BNL), Upton, NY (United States); Lee, Byungju [Seoul National Univ. (Korea, Republic of); Qiao, Ruimin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source; Yang, Zhenzhong [Chinese Academy of Sciences (CAS), Beijing (China). Inst. of High Energy Physics (IHEP); Xu, Shuyin [Chinese Academy of Sciences (CAS), Beijing (China). Inst. of High Energy Physics (IHEP); Yu, Xiqian [Brookhaven National Lab. (BNL), Upton, NY (United States)] (ORCID:000000018513518X); Gu, Lin [Chinese Academy of Sciences (CAS), Beijing (China). Inst. of High Energy Physics (IHEP); Hu, Yong-Sheng [Chinese Academy of Sciences (CAS), Beijing (China). Inst. of High Energy Physics (IHEP)] (ORCID:0000000284306474); Yang, Wanli [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source] (ORCID:0000000306668063); Kang, Kisuk [Seoul National Univ. (Korea, Republic of); Li, Hong [Chinese Academy of Sciences (CAS), Beijing (China). Inst. of High Energy Physics (IHEP)] (ORCID:000000028659086X); Yang, Xiao-Qing [Brookhaven National Lab. (BNL), Upton, NY (United States); Chen, Liquan [Chinese Academy of Sciences (CAS), Beijing (China). Inst. of High Energy Physics (IHEP); Huang, Xuejie [Chinese Academy of Sciences (CAS), Beijing (China). Inst. of High Energy Physics (IHEP)

    2015-03-25

    The aqueous sodium-ion battery system is a safe and low-cost solution for large-scale energy storage, due to the abundance of sodium and inexpensive aqueous electrolytes. Although several positive electrode materials, e.g., Na0.44MnO2, were proposed, few negative electrode materials, e.g., activated carbon and NaTi2(PO4)3, are available. Here we show that Ti-substituted Na0.44MnO2 (Na0.44[Mn1-xTix]O2) with tunnel structure can be used as a negative electrode material for aqueous sodium-ion batteries. This material exhibits superior cyclability even without the special treatment of oxygen removal from the aqueous solution. Atomic-scale characterizations based on spherical aberration-corrected electron microscopy and ab initio calculations are utilized to accurately identify the Ti substitution sites and sodium storage mechanism. Ti substitution tunes the charge ordering property and reaction pathway, significantly smoothing the discharge/charge profiles and lowering the storage voltage. Both the fundamental understanding and practical demonstrations suggest that Na0.44[Mn1-xTix]O2 is a promising negative electrode material for aqueous sodium-ion batteries.

  2. I.. , .., I.., .. i i H2, H2O ii i i SiO2

    E-Print Network [OSTI]

    of the adsorbtion of H2, H2O and uranyl ions on the SiO2 surface I.V. Stasyuk,T.S.Mysakovych, I.R.Dulepa, V.O.Krasnov Abstract. Using the quantum chemical calculations the adsorption of H2, H2O and uranyl ions on the SiO2 into atoms take place at the adsorption. The adsorption of the uranyl ions on the SiO2 surface was the object

  3. Photocatalytic Inhibition of Algae Growth Using TiO2, WO3, and

    E-Print Network [OSTI]

    Ouellette, Anthony J. A.

    Photocatalytic Inhibition of Algae Growth Using TiO2, WO3, and Cocatalyst Modifications C L O V I Road, Cocoa, Florida 32922-5703 TiO2 and WO3, with and without noble metal cocatalysts, were employed structures. Introduction Wide band gap metal oxides such as TiO2 and WO3 (Eg ) 3.1 and 2.7 eV, respectively

  4. KINETICS, CATALYSIS, AND REACTION ENGINEERING Staged O2 Introduction and Selective H2 Combustion during

    E-Print Network [OSTI]

    Iglesia, Enrique

    KINETICS, CATALYSIS, AND REACTION ENGINEERING Staged O2 Introduction and Selective H2 Combustion2 increased the selectivity of propane conversion to aromatics o

  5. Synthesis of Highly Ordered TiO2 Nanotubes Using Ionic Liquids for Photovoltaics Applications

    SciTech Connect (OSTI)

    2009-04-01

    This factsheet describes a study that deals with a new, ‘green’ approach of synthesizing highly ordered TiO2 nanotubes using ionic liquids for photovoltaics (PV) applications.

  6. Hydrogen production using hydrogenase-containing oxygenic photosynthetic organisms

    DOE Patents [OSTI]

    Melis, Anastasios; Zhang, Liping; Benemann, John R.; Forestier, Marc; Ghirardi, Maria; Seibert, Michael

    2006-01-24

    A reversible physiological process provides for the temporal separation of oxygen evolution and hydrogen production in a microorganism, which includes the steps of growing a culture of the microorganism in medium under illuminated conditions to accumulate an endogenous substrate, depleting from the medium a nutrient selected from the group consisting of sulfur, iron, and/or manganese, sealing the culture from atmospheric oxygen, incubating the culture in light whereby a rate of light-induced oxygen production is equal to or less than a rate of respiration, and collecting an evolved gas. The process is particularly useful to accomplish a sustained photobiological hydrogen gas production in cultures of microorganisms, such as Chlamydomonas reinhardtii.

  7. Hydrogen Production Using Hydrogenase-Containing Oxygenic Photosynthetic Organisms

    DOE Patents [OSTI]

    Melis, A.; Zhang, L.; Benemann, J. R.; Forestier, M.; Ghirardi, M.; Seibert, M.

    2006-01-24

    A reversible physiological process provides for the temporal separation of oxygen evolution and hydrogen production in a microorganism, which includes the steps of growing a culture of the microorganism in medium under illuminated conditions to accumulate an endogenous substrate, depleting from the medium a nutrient selected from the group consisting of sulfur, iron, and/or manganese, sealing the culture from atmospheric oxygen, incubating the culture in light whereby a rate of light-induced oxygen production is equal to or less than a rate of respiration, and collecting an evolved gas. The process is particularly useful to accomplish a sustained photobiological hydrogen gas production in cultures of microorganisms, such as Chlamydomonas reinhardtii.

  8. Adsorption of water on O(2x2)/Ru(0001): thermal stability and inhibition of dissociation by H2O-O bonding

    SciTech Connect (OSTI)

    Mugarza, Aitor; Shimizu, Tomoko; Cabrera-Sanfelix, Pepa; Sanchez-Portal, Daniel; Arnau, Andres; Salmeron, Miquel

    2008-08-01

    The effect of preadsorbed oxygen on the subsequent adsorption and reactions of water on Ru(0001) has been studied using low temperature scanning tunneling microscopy and DFT calculations. Experiments were carried out for O coverages close to 0.25 ML. It was found that no dissociation of water takes place up to the desorption temperature of {approx}180-230 K. DFT calculations show that intact water on O(2x2)/Ru(0001) is {approx} 0.49 eV more stable than the dissociation products, H and OH, at their preferred fcc and top adsorption sites.

  9. High Selectivity Oxygen Delignification

    SciTech Connect (OSTI)

    Lucian A. Lucia

    2005-11-15

    Project Objective: The objectives of this project are as follows: (1) Examine the physical and chemical characteristics of a partner mill pre- and post-oxygen delignified pulp and compare them to lab generated oxygen delignified pulps; (2) Apply the chemical selectivity enhancement system to the partner pre-oxygen delignified pulps under mill conditions (with and without any predetermined amounts of carryover) to determine how efficiently viscosity is preserved, how well selectivity is enhanced, if strength is improved, measure any yield differences and/or bleachability differences; and (3) Initiate a mill scale oxygen delignification run using the selectivity enhancement agent, collect the mill data, analyze it, and propose any future plans for implementation.

  10. Experimental Evaluation of a Model for Oxygen Exchange in a Pulsating Intravascular Artificial Lung

    E-Print Network [OSTI]

    Federspiel, William J.

    Experimental Evaluation of a Model for Oxygen Exchange in a Pulsating Intravascular Artificial Lung an intravascular hollow fiber artificial lung that uses a pulsating balloon located within the fiber bundle in pulsating intravascular artificial lungs. In this study we evaluate the O2 exchange model with gas exchange

  11. Discharge-driven electric oxygen-iodine laser superlinear enhancement via increasing g0L

    E-Print Network [OSTI]

    Carroll, David L.

    length, g0L. A factor of 4.4 increase in laser power output on the 1315 nm atomic iodine transition geometry, discharge power to O2 flow ratio, He diluent ratio, atomic oxygen control (quenching mechanisms-frequency discharges. Continuous wave (CW) average total laser power of 481 W was extracted with g0L 0.042. © 2012

  12. Evolution of Hollow TiO2 Nanostructures via the Kirkendall Effect Driven by Cation Exchange with Enhanced Photoelectrochemical

    E-Print Network [OSTI]

    Wang, Xudong

    . The evolution of TiO2 nanotubes from ZnO NW scaffolds was seamlessly integrated with TiO2 NR branch growthEvolution of Hollow TiO2 Nanostructures via the Kirkendall Effect Driven by Cation Exchange. In this paper, we report a discovery of hollow TiO2 nanostructure evolution in a vapor-solid deposition system

  13. Introduction The vertebrate O2 transport and delivery system can be

    E-Print Network [OSTI]

    Saltzman, Wendy

    of the increase O2 gradient.] We compared maximum aerobic capacity during forced exercise (VO22max) in hypoxia (PO in a metabolic chamber that allowed altered PO22. Individual variation in VO22max was highly repeatable within metabolism if central organs provide more O2. Although the existence of central limitations in S lines cannot

  14. Stochastic bi-resonance without external signal in the CO O2 catalytic oxidation reaction system

    E-Print Network [OSTI]

    Yang, Lingfa

    Stochastic bi-resonance without external signal in the CO O2 catalytic oxidation reaction system reaction systems13 including the catalytic oxidation of carbon monoxide (CO O2) and the catalytic reduction; accepted 19 April 1999 The noisy dynamic behavior of a surface catalytic reaction model to describe

  15. Enhanced Electrochemical Lithium Storage Activity of LiCrO2 by Size Effect

    SciTech Connect (OSTI)

    Feng, G.; Li, L; Liu, J; Liu, N; Li, H; Yang, X; Huang, X; Chen, L; Nam, K; Yoon, W

    2009-01-01

    Cr8O21 was chemically lithiated using a lithium-biphenyl-dimethoxyethane solution. Lithiated Cr8O21 shows a structure in which as-formed LiCrO2 units are sandwiched between Cr2O3 superlattice layers. Chemically lithiated Cr8O21 shows a delithiation capacity of 200 mAh g-1. It means that LiCrO2 units in lithiated Cr8O21 are electrochemically active. This finding is opposite to previous reports that LiCrO2 materials have very poor Li-storage capacities. Our new result implies that LiCrO2 with extremely small domain size could show enhanced reactivity. This proposal is proved unambiguously by the fact that LiCrO2 powder materials with smaller grain size (<20 nm) show much higher capacities than LiCrO2 materials with larger grain size (>50 nm). In addition, it is found that the cation mixing is more significantly in LiCrO2 materials with smaller grain size, which seems a key factor for the storage and transport of lithium in layered Cr-based materials. The cation mixing may also explain the result that the lattice parameters of LiCrO2 do not change significantly upon lithium extraction and insertion, investigated by in situ and ex situ XRD techniques.

  16. MODELING AND CONTROL OF A O2/CO2 GAS TURBINE CYCLE FOR CO2 CAPTURE

    E-Print Network [OSTI]

    Foss, Bjarne A.

    MODELING AND CONTROL OF A O2/CO2 GAS TURBINE CYCLE FOR CO2 CAPTURE Lars Imsland Dagfinn Snarheim and control of a semi-closed O2/CO2 gas turbine cycle for CO2 capture. In the first part the process predictive control, Gas turbines, CO2 capture 1. INTRODUCTION Gas turbines are widely used for power

  17. Hard templating synthesis of mesoporous and nanowire SnO2 lithium battery anode materials

    E-Print Network [OSTI]

    Cho, Jaephil

    Hard templating synthesis of mesoporous and nanowire SnO2 lithium battery anode materials Hyesun materials for lithium batteries were prepared using KIT-6 and SBA-15 SiO2 templates as an anode material for lithium batteries due to its high capacity (>600 mAh gÀ1 ) compared with graphite

  18. Electrochemical Monitoring of TiO2 Atomic Layer Deposition by Chronoamperometry and Scanning Electrochemical Microscopy

    E-Print Network [OSTI]

    Yu, Edward T.

    Electrochemical Monitoring of TiO2 Atomic Layer Deposition by Chronoamperometry and Scanning) was used to characterize the atomic layer deposition (ALD) of TiO2 on indium-doped tin oxide (ITO). KEYWORDS: atomic layer deposition (ALD), scanning electrochemical microscopy (SECM), nanoporous films

  19. Application of SiO2 aerogel film with low dielectric constant to intermetal dielectrics

    E-Print Network [OSTI]

    Jo, Moon-Ho

    Application of SiO2 aerogel film with low dielectric constant to intermetal dielectrics Moon-Ho Jo aerogel film was characterized from its structural and chemical viewpoints. High porosity of material infrared spectroscopy (FT-IR) for their chemical states. The improved electrical properties of SiO2 aerogel

  20. THREE-DIMENSIONAL ATOMIC STRUCTURE OF NiO ZrO2(CUBIC) INTERFACES

    E-Print Network [OSTI]

    Pennycook, Steve

    THREE-DIMENSIONAL ATOMIC STRUCTURE OF NiO± ZrO2(CUBIC) INTERFACES E. C. DICKEY{1 , V. P. DRAVID1-dimensional atomic structure of low-energy NiO±ZrO2(cubic) interfaces is determined through a combination of electron the structural and chemical aspects of the interface and associ- ated interfacial relaxation mechaubic) interface

  1. Dimerization Induced Deprotonation of Water on RuO2(110)

    SciTech Connect (OSTI)

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

    2014-10-02

    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).

  2. A calcium oxygen secondary battery

    SciTech Connect (OSTI)

    Pujare, N.U.; Semkow, K.W.; Sammells, A.F.

    1988-01-01

    The authors report preliminary work performed in their laboratory on a high-temperature electrochemically reversible calcium-oxygen cell. Following an analogous strategy to that recently discussed for the lithium-oxygen secondary system, this calcium-oxygen cell utilizes stabilized zirconia oxygen vacancy conducting solid electrolytes to achieve effective separation between half-cell reactions.

  3. Optical oxygen concentration monitor

    DOE Patents [OSTI]

    Kebabian, P.

    1997-07-22

    A system for measuring and monitoring the concentration of oxygen uses as a light source an argon discharge lamp, which inherently emits light with a spectral line that is close to one of oxygen`s A-band absorption lines. In a preferred embodiment, the argon line is split into sets of components of shorter and longer wavelengths by a magnetic field of approximately 2,000 Gauss that is parallel to the light propagation from the lamp. The longer wavelength components are centered on an absorption line of oxygen and thus readily absorbed, and the shorter wavelength components are moved away from that line and minimally absorbed. A polarization modulator alternately selects the set of the longer wavelength, or upshifted, components or the set of the shorter wavelength, or downshifted, components and passes the selected set to an environment of interest. After transmission over a path through that environment, the transmitted optical flux of the argon line varies as a result of the differential absorption. The system then determines the concentration of oxygen in the environment based on the changes in the transmitted optical flux between the two sets of components. In alternative embodiments modulation is achieved by selectively reversing the polarity of the magnetic field or by selectively supplying the magnetic field to either the emitting plasma of the lamp or the environment of interest. 4 figs.

  4. Oxygen Isotope Dynamics of Atmospheric Nitrate and Its Precursor Molecules

    E-Print Network [OSTI]

    Michalski, Greg

    processes, with anthropogenic emissions from coal burning power plants and automobiles dom- inating global.1007/978-3-642-10637-8_30, # Springer-Verlag Berlin Heidelberg 2011 613 #12;d17 O ¼ 0:52 d18 O (30.1) A plot of d17 O vs. d18 O (dual

  5. Oxygen detected in atmosphere of Saturn's moon Dione

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass mapSpeeding access toOctoberConsumption (MillionOtherOwen Chamberlain

  6. 26 E N G I N E E R I N G & S C I E N C E N O . 2 2 0 0 8 We know how to make electricity from sun-

    E-Print Network [OSTI]

    Faraon, Andrei

    26 E N G I N E E R I N G & S C I E N C E N O . 2 2 0 0 8 We know how to make electricity from sun the sun is shining, we could use it after dark, and the storage problem would be solved. Specifically, I and oxygen gas bubbling up from the anode. We want to do the same thing as grownups, but using the sun as our

  7. Formation of Interfacial Layer and Long-Term Cylability of Li-O-2 Batteries

    SciTech Connect (OSTI)

    Nasybulin, Eduard N.; Xu, Wu; Mehdi, Beata L.; Thomsen, Edwin C.; Engelhard, Mark H.; Masse, Robert C.; Bhattacharya, Priyanka; Gu, Meng; Bennett, Wendy D.; Nie, Zimin; Wang, Chong M.; Browning, Nigel D.; Zhang, Jiguang

    2014-08-27

    Extended cycling of the Li-O2 battery under full discharge/charge conditions is achievable upon selection of appropriate electrode materials and cycling protocol. However, the decomposition of the side products also contribute to the observed good cycling behavior of high capacity Li-O2 batteries. Quantitative analyses of the discharge and charge products reveals a quick switch from the predominant formation of Li2O2 to the predominant formation of side products during the first a few cycles of the Li-O2 batteries. After the switch, cycling stabilizes with a repeatable formation of Li2O2/side products at ~1:2 ratio. CNTs/Ru composite electrodes exhibits lower charge voltage and deliver 50 full discharge-charge cycles without sharp capacity drop. Ru coated glass carbon electrode can lead to more than 500 cycles without change in its cycling profiles. The better understanding on Li-O2 reaction processes developed in this work may lead to the further improvement on the long term cycling behavior of high capacity Li-O2 batteries.

  8. Doping of TiO 2 Polymorphs for Altered Optical and Photocatalytic Properties

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

    Nie, Xiliang; Zhuo, Shuping; Maeng, Gloria; Sohlberg, Karl

    2009-01-01

    This paper reviews recent investigations of the influence of dopants on the optical properties of TiO 2 polymorphs. The common undoped polymorphs of TiO 2 are discussed and compared. The results of recent doping efforts are tabulated, and discussed in the context of doping by elements of the same chemical group. Dopant effects on the band gap and photocatalytic activity are interpreted with reference to a simple qualitative picture of the TiO 2 electronic structure,more »which is supported with first-principles calculations. « less

  9. Balance the reaction MnO4 (aq) MnO2(s) + SO4

    E-Print Network [OSTI]

    Peterson, Kirk A.

    Balance the reaction MnO4 Ð (aq) + SO3 2Ð (aq) MnO2(s) + SO4 2Ð (aq) in basic solution Oxidation 2Ð SO4 2Ð (b) 2) These are already balanced in Mn and S 3) Balance O in (a) by adding H2OÕs to the right-hand-side MnO4 Ð MnO2 + 2H2O 4) Balance H by adding H + to the left-hand-side MnO4 Ð + 4H + MnO2

  10. Doping ofTiO2Polymorphs for Altered Optical and Photocatalytic Properties

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

    Nie, Xiliang; Zhuo, Shuping; Maeng, Gloria; Sohlberg, Karl

    2009-01-01

    This paper reviews recent investigations of the influence of dopants on the optical properties ofTiO2polymorphs. The common undoped polymorphs ofTiO2are discussed and compared. The results of recent doping efforts are tabulated, and discussed in the context of doping by elements of the same chemical group. Dopant effects on the band gap and photocatalytic activity are interpreted with reference to a simple qualitative picture of theTiO2electronic structure, which is supported with first-principles calculations.

  11. Optical oxygen concentration monitor

    DOE Patents [OSTI]

    Kebabian, Paul (Acton, MA)

    1997-01-01

    A system for measuring and monitoring the concentration of oxygen uses as a light source an argon discharge lamp, which inherently emits light with a spectral line that is close to one of oxygen's A-band absorption lines. In a preferred embodiment, the argon line is split into sets of components of shorter and longer wavelengths by a magnetic field of approximately 2000 Gauss that is parallel to the light propagation from the lamp. The longer wavelength components are centered on an absorption line of oxygen and thus readily absorbed, and the shorter wavelength components are moved away from that line and minimally absorbed. A polarization modulator alternately selects the set of the longer wavelength, or upshifted, components or the set of the shorter wavelength, or downshifted, components and passes the selected set to an environment of interest. After transmission over a path through that environment, the transmitted optical flux of the argon line varies as a result of the differential absorption. The system then determines the concentration of oxygen in the environment based on the changes in the transmitted optical flux between the two sets of components. In alternative embodiments modulation is achieved by selectively reversing the polarity of the magnetic field or by selectively supplying the magnetic field to either the emitting plasma of the lamp or the environment of interest.

  12. DNA Cleavage by Photogenerated Rh2(O2CCH3)4(H2O)2 Patty K.-L. Fu, Patricia M. Bradley, and Claudia Turro*

    E-Print Network [OSTI]

    Turro, Claudia

    the subject of intense investigation since, upon light activation, they can act as reporters of DNA structure and coordination of the dirhodium core to single-stranded oligonucleotides has been observed, the mode of binding-methylpyridinium tetrafluoroborate (py+),17 results in the formation of the one-electron-oxidized complex, Rh2(O2

  13. Microchannel Reactor System Design & Demonstration For On-Site H2O2 Production by Controlled H2/O2 Reaction

    SciTech Connect (OSTI)

    Adeniyi Lawal

    2008-12-09

    We successfully demonstrated an innovative hydrogen peroxide (H2O2) production concept which involved the development of flame- and explosion-resistant microchannel reactor system for energy efficient, cost-saving, on-site H2O2 production. We designed, fabricated, evaluated, and optimized a laboratory-scale microchannel reactor system for controlled direct combination of H2 and O2 in all proportions including explosive regime, at a low pressure and a low temperature to produce about 1.5 wt% H2O2 as proposed. In the second phase of the program, as a prelude to full-scale commercialization, we demonstrated our H2O2 production approach by ‘numbering up’ the channels in a multi-channel microreactor-based pilot plant to produce 1 kg/h of H2O2 at 1.5 wt% as demanded by end-users of the developed technology. To our knowledge, we are the first group to accomplish this significant milestone. We identified the reaction pathways that comprise the process, and implemented rigorous mechanistic kinetic studies to obtain the kinetics of the three main dominant reactions. We are not aware of any such comprehensive kinetic studies for the direct combination process, either in a microreactor or any other reactor system. We showed that the mass transfer parameter in our microreactor system is several orders of magnitude higher than what obtains in the macroreactor, attesting to the superior performance of microreactor. A one-dimensional reactor model incorporating the kinetics information enabled us to clarify certain important aspects of the chemistry of the direct combination process as detailed in section 5 of this report. Also, through mathematical modeling and simulation using sophisticated and robust commercial software packages, we were able to elucidate the hydrodynamics of the complex multiphase flows that take place in the microchannel. In conjunction with the kinetics information, we were able to validate the experimental data. If fully implemented across the whole industry as a result of our technology demonstration, our production concept is expected to save >5 trillion Btu/year of steam usage and >3 trillion Btu/year in electric power consumption. Our analysis also indicates >50 % reduction in waste disposal cost and ~10% reduction in feedstock energy. These savings translate to ~30% reduction in overall production and transportation costs for the $1B annual H2O2 market.

  14. Direct Observation of the Oxygenated Species during Oxygen Reduction...

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

    Direct Observation of the Oxygenated Species during Oxygen Reduction on a Platinum Fuel Cell Cathode Friday, December 20, 2013 Fuel Cell Figure 1 Figure 1. In situ x-ray...

  15. Synthesis of TiO2 photocatalyst and study on their improvement technology of photocatalytic activity

    E-Print Network [OSTI]

    Boo, Jin-Hyo

    was evaluated by the measurements of the UV/vis. irradiation, infrared spectroscopy, XPS, and contact angleO2) plays an important role in a variety of technological applications ranging from sensors

  16. Nanocrystallization of LiCoO2 Cathodes for Thin Film Batteries Utilizing Pulse Thermal Processing

    SciTech Connect (OSTI)

    2009-04-01

    This factsheet describes a study whose focus is on the nanocrystallization of the LiCoO2 cathode thin films on polyimide substrates and evaluate the microstructural evolution and resistance as a function of PTP processing conditions.

  17. 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...

  18. DNA nanoconjugates Labeling TiO2 Nanoparticles with Dyes for Optical

    E-Print Network [OSTI]

    Brown, Eric

    signal as mapped by XFM. This strongly implies the intracellular integrity of the TiO2­DNA nanoconjugates Indian Institute of Technology Bombay Powai Mumbai 400076 (India) Prof. V. Dravid Department of Material

  19. Macroporous TiO2 Photoanodes for High Efficiency PSI-Based Biohybrid Photovoltaics

    E-Print Network [OSTI]

    Macroporous TiO2 Photoanodes for High Efficiency PSI-Based Biohybrid Photovoltaics and efficiency of PSI-based biohybrid photovoltaics due to the high integraVon of PSI

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

    SciTech Connect (OSTI)

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

    2014-04-16

    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).

  1. Effect of Spin-Orbit Coupling on the Actinide Dioxides AnO2 ...

    Office of Scientific and Technical Information (OSTI)

    Coupling on the Actinide Dioxides AnO2 (AnTh, Pa, U, Np, Pu, and Am): A Screened Hybrid Density Functional Study Citation Details In-Document Search Title: Effect of...

  2. Scanning tunneling microscopic studies of SiO2 thin film supported metal nano-clusters 

    E-Print Network [OSTI]

    Min, Byoung Koun

    2005-11-01

    This dissertation is focused on understanding heterogeneous metal catalysts supported on oxides using a model catalyst system of SiO2 thin film supported metal nano-clusters. The primary technique applied to this study is scanning tunneling...

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

    E-Print Network [OSTI]

    Suslick, Kenneth S.

    2012 Keywords: TiO2 Nanostructured microsphere Silica Photocatalysis NOx a b s t r a c t The synthesis, photonic materials, batteries and membrane fuel cells, and photocatalysis [7­15]. Titanium dioxide

  4. NOx-Mediated Homogeneous Pathways for the Synthesis of Formaldehyde from CH4-O2 Mixtures

    E-Print Network [OSTI]

    Iglesia, Enrique

    NOx-Mediated Homogeneous Pathways for the Synthesis of Formaldehyde from CH4-O2 Mixtures Jeffrey M-NOx reactions is used to estimate maximum attainable formaldehyde (and methanol) yields

  5. O2-06-05 AVOXEL-BASED MORPHOMETRY STUDY OF VOLUMETRIC MRI IN FAMILIAL ALZHEIMER'S

    E-Print Network [OSTI]

    Thompson, Paul

    O2-06-05 AVOXEL-BASED MORPHOMETRY STUDY OF VOLUMETRIC MRI IN FAMILIAL ALZHEIMER'S DISEASE David the different groups. Tissue segmentation and spatial normalization of volumetric T1-weighted images were

  6. Formation of various TiO2 nanostructures from electrochemically anodized titanium

    E-Print Network [OSTI]

    Lin, Zhiqun

    widely exploited for use in the areas of gas sensors,2­4 hydrogen generation,5,6 photo- catalysts,7,8 cell separation,9 dye sensitized solar cells (DSSC),10­19 and quantum dot20­26 sensitized solar cells TiO2 nanotube is perpendicular to the membrane surface.16,29­31 Since the as-prepared anodic TiO2

  7. Electrochemical Properties of Disordered-Carbon-Coated SnO2 Nanoparticles for Li Rechargeable Batteries

    E-Print Network [OSTI]

    Park, Byungwoo

    Batteries Taeho Moon, Chunjoong Kim, Sun-Tae Hwang, and Byungwoo Park*,z School of Materials Science batteries.1-5 It is rationalized that the reactions of SnO2 with lithium are SnO2 + 4Li Sn + 2Li2O and Sn is to distribute nanoparticles uniformly on a large matrix such as graphite, mesoporous carbon, etc.12,13 However

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

    SciTech Connect (OSTI)

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

    2005-06-01

    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.

  9. Composite WO3/TiO2 nanostructures for high electrochromic activity.

    SciTech Connect (OSTI)

    Reyes, Karla Rosa; Stephens, Zachary Dan.; Robinson, David B.

    2013-05-01

    A composite material consisting of TiO2 nanotubes (NTs) with WO3 electrodeposited homogeneously on its surface has been fabricated, detached from its substrate, and attached to a fluorine-doped tin oxide film on glass for application to electrochromic (EC) reactions. A paste of TiO2 made from commercially available TiO2 nanoparticles creates an interface for the TiO2 NT film to attach to the FTO glass, which is conductive and does not cause solution-phase ions in an electrolyte to bind irreversibly with the material. The effect of NT length on the current density and the EC contrast of the material were studied. The EC redox reaction seen in this material is diffusion- limited, having relatively fast reaction rates at the electrode surface. The composite WO3/TiO2 nanostructures showed higher ion storage capacity, better stability, enhanced EC contrast and longer memory time compared with the pure WO3 and TiO2.

  10. Catalyst Activity and Post-operation Analyses of Pt/TiO2 (Rutile) Catalysts Used in the Sulfuric Acid Decomposition Reaction

    SciTech Connect (OSTI)

    Lucia M. Petkovic; Daniel M. Ginosar; Harry W. Rollins; Kyle C. Burch; Patrick J. Pinhero; Helen H. Farrell

    2007-06-01

    Production of hydrogen by splitting of water at lower temperatures than by direct thermal decomposition can be achieved by a series of particular chemical reactions that establish a thermochemical cycle [1]. Among the high number of thermochemical water-splitting cycles proposed in the literature [2], the sulfur-based group is of considerable interest. All the sulfur-based cycles employ the catalytic decomposition of sulfuric acid into SO2 and O2. The produced O2 corresponds to the O2 generated from water in the overall cycle. Research performed at the Idaho National Laboratory [3] has found that even one of the most stables catalysts, Pt supported on low surface area titania, deactivates with time on stream (TOS). To develop an understanding of the factors that cause catalyst deactivation, samples of 1% Pt supported on titania (rutile) catalyst were submitted to flowing concentrated sulfuric acid at 1123 K and atmospheric pressure for different TOSs between 0 and 548 h and a number of chemical and spectroscopic analyses applied to the spent samples.

  11. Titanium oxide (TiO2), an abundant material with photocatalytic activity and chemical stability is an important candidate for photocatalytic applications. The photocatalytic activity of the TiO2

    E-Print Network [OSTI]

    phase. In the current project, phase and morphology changes in TiO2 nanotubes were studied using ex studies were also performed to understand the phase and morphology of the nanotubes. As prepared TiO2 nanotubes transform to anatase at 450 oC and transformed to rutile when heated to 800 oC. TiO2 nanotubes

  12. High pressure oxygen furnace

    DOE Patents [OSTI]

    Morris, Donald E. (Kensington, CA)

    1992-01-01

    A high temperature high pressure oxygen furnace having a hybrid partially externally heated construction is disclosed. A metallic bar fabricated from an alloy having a composition of at least 45% nickel, 15% chrome, and 10% tungsten is utilized (the preferred alloy including 55% nickel, 22% chrome, 14% tungsten, 2% molybdenum, 3% iron (maximum) and 5% cobalt (maximum). The disclosed alloy is fabricated into 11/4 inch bar stock and has a length of about 17 inches. This bar stock is gun drilled for over 16 inches of its length with 0.400 inch aperture to define a closed high temperature, high pressure oxygen chamber. The opposite and closed end of the bar is provided with a small support aperture into which both a support and a thermocouple can be inserted. The closed end of the gun drilled bar is inserted into an oven, preferably heated by standard nickel chrome electrical elements and having a heavily insulated exterior.

  13. High pressure oxygen furnace

    DOE Patents [OSTI]

    Morris, D.E.

    1992-07-14

    A high temperature high pressure oxygen furnace having a hybrid partially externally heated construction is disclosed. A metallic bar fabricated from an alloy having a composition of at least 45% nickel, 15% chrome, and 10% tungsten is utilized, the preferred alloy including 55% nickel, 22% chrome, 14% tungsten, 2% molybdenum, 3% iron (maximum) and 5% cobalt (maximum). The disclosed alloy is fabricated into 11/4 inch bar stock and has a length of about 17 inches. This bar stock is gun drilled for over 16 inches of its length with 0.400 inch aperture to define a closed high temperature, high pressure oxygen chamber. The opposite and closed end of the bar is provided with a small support aperture into which both a support and a thermocouple can be inserted. The closed end of the gun drilled bar is inserted into an oven, preferably heated by standard nickel chrome electrical elements and having a heavily insulated exterior. 5 figs.

  14. Dilute Oxygen Combustion Phase I Final Report

    SciTech Connect (OSTI)

    Ryan, H.M.; Riley, M.F.; Kobayashi, H.

    1997-10-31

    A novel burner, in which fuel (natural gas) and oxidant (oxygen or air) are separately injected into a furnace, shows promise for achieving very low nitrogen oxide(s) (NOx) emissions for commercial furnace applications. The dilute oxygen combustion (DOC) burner achieves very low NOx through in-furnace dilution of the oxidant stream prior to combustion, resulting in low flame temperatures, thus inhibiting thermal NOx production. The results of a fundamental and applied research effort on the development of the DOC burner are presented. In addition, the results of a market survey detailing the potential commercial impact of the DOC system are disclosed. The fundamental aspects of the burner development project involved examining the flame characteristics of a natural gas turbulent jet in a high-temperature (~1366 K) oxidant (7-27% O2 vol. wet). Specifically, the mass entrainment rate, the flame lift-off height, the velocity field and major species field of the jet were evaluated as a function of surrounding-gas temperature and composition. The measured entrainment rate of the fuel jet decreased with increasing oxygen content in the surrounding high-temperature oxidant, and was well represented by the d+ scaling correlation found in the literature. The measured flame lift-off height decreased with increasing oxygen content and increasing temperature of the surrounding gas. An increase in surrounding-gas oxygen content and/or temperature inhibited the velocity decay within the jet periphery as a function of axial distance as compared to isothermal turbulent jets. However, the velocity measurements were only broadly represented by the d+ scaling correlation. Several DOC burner configurations were tested in a laboratory-scale furnace at a nominal firing rate of 185 kW (~0.63 MMBtu/h). The flue gas composition was recorded as a function of furnace nitrogen content, furnace temperature, burner geometric arrangement, firing rate, and fuel injection velocity. NOx emissions increased with increasing furnace nitrogen content and furnace temperature, but remained relatively insensitive to variations in fuel injection velocity and firing rate. NOx emissions below 5-10-3 g/MJ (10 ppm-air equivalent at 3% O2 dry) were obtained for furnace temperatures below 1533 K (2300°F) and furnace nitrogen levels between 1 and 40%. CO emissions were typically low (<35 ppm). Detailed in-furnace species measurements revealed the importance of the interior furnace circulation patterns, as influenced by fuel and oxidant injection schemes, on pollutant emissions. The combustion stability traits of several DOC burner arrangements were ascertained through furnace pressure measurements, wit6h increased stability occurring as furnace temperature increased and as the separation distance between fuel and oxidant inputs decreased. Based on current market conditions, oxy-fuel conversion of batch steel reheat furnaces with a DOC burner is justified on the basis of lower utility costs alone. However, conversion of continuous steel reheat furnaces, which are responsible for most steel production, required additional economic incentives, such as further fuel savings, increased furnace productivity, or emission credits.

  15. 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.

  16. Controlled atmosphere for fabrication of cermet electrodes

    DOE Patents [OSTI]

    Ray, Siba P. (Murrysville, PA); Woods, Robert W. (New Kensington, PA)

    1998-01-01

    A process for making an inert electrode composite wherein a metal oxide and a metal are reacted in a gaseous atmosphere at an elevated temperature of at least about 750.degree. C. The metal oxide is at least one of the nickel, iron, tin, zinc and zirconium oxides and the metal is copper, silver, a mixture of copper and silver or a copper-silver alloy. The gaseous atmosphere has an oxygen content that is controlled at about 5-3000 ppm in order to obtain a desired composition in the resulting composite.

  17. Controlled atmosphere for fabrication of cermet electrodes

    DOE Patents [OSTI]

    Ray, S.P.; Woods, R.W.

    1998-08-11

    A process is disclosed for making an inert electrode composite wherein a metal oxide and a metal are reacted in a gaseous atmosphere at an elevated temperature of at least about 750 C. The metal oxide is at least one of the nickel, iron, tin, zinc and zirconium oxides and the metal is copper, silver, a mixture of copper and silver or a copper-silver alloy. The gaseous atmosphere has an oxygen content that is controlled at about 5--3000 ppm in order to obtain a desired composition in the resulting composite. 2 figs.

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

    SciTech Connect (OSTI)

    Nasybulin, Eduard N.; Xu, Wu; Engelhard, Mark H.; Nie, Zimin; Burton, Sarah D.; Cosimbescu, Lelia; Gross, Mark E.; Zhang, Jiguang

    2013-02-05

    It is well known that the stability of nonaqueous electrolyte is critical for the rechargeable Li-O2 batteries. Although stability of many solvents used in the electrolytes has been investigated, considerably less attention has been paid to the stability of electrolyte salt which is the second major component. Herein, we report the systematic investigation of the stability of seven common lithium salts in tetraglyme used as electrolytes for Li-O2 batteries. The discharge products of Li-O2 reaction were analyzed by X-ray diffraction, X-ray photoelectron spectroscopy and nuclear magnetic resonance spectroscopy. The performance of Li-O2 batteries was strongly affected by the salt used in the electrolyte. Lithium tetrafluoroborate (LiBF4) and lithium bis(oxalato)borate (LiBOB) decompose and form LiF and lithium borates, respectively during the discharge of Li-O2 batteries. Several other salts, including lithium bis(trifluoromethane)sulfonamide (LiTFSI), lithium trifluoromethanesulfonate (LiTf), lithium hexafluorophosphate (LiPF6), lithium perchlorate (LiClO4) , and lithium bromide (LiBr) led to the discharge products which mainly consisted of Li2O2 and only minor signs of decomposition of LiTFSI, LiTf, LPF6 and LiClO4 were detected. LiBr showed the best stability during the discharge process. As for the cycling performance, LiTf and LiTFSI were the best among the studied salts. In addition to the instability of lithium salts, decomposition of tetraglyme solvent was a more significant factor contributing to the limited cycling stability. Thus a more stable nonaqueous electrolyte including organic solvent and lithium salt still need to be further developed to reach a fully reversible Li-O2 battery.

  19. Photodissociation of Ozone from 321 to 329 nm: The Relative Yields P2) with O2(X 3

    E-Print Network [OSTI]

    Houston, Paul L.

    Photodissociation of Ozone from 321 to 329 nm: The Relative Yields of O(3 P2) with O2(X 3 g - ), O2 Supporting Information ABSTRACT: Product imaging of O(3 P2) following dissociation of ozone has been used to determine the relative yields of the product channels O(3 P2) + O2(X 3 g - ) of ozone. All three channels

  20. DOI: 10.1002/asia.201200349 Dye-Sensitized TiO2 Nanotube Solar Cells: Rational Structural and Surface

    E-Print Network [OSTI]

    Lin, Zhiqun

    DOI: 10.1002/asia.201200349 Dye-Sensitized TiO2 Nanotube Solar Cells: Rational Structural and Surface Engineering on TiO2 Nanotubes Jun Wang[a] and Zhiqun Lin*[b] 2754 2012 Wiley-VCH Verlag GmbH & Co-defined structural parameters and enhanced electronic properties, highly ordered TiO2 nanotube arrays have been

  1. Selective Oxidative Degradation of Organic Pollutants by Singlet Oxygen-Mediated Photosensitization: Tin Porphyrin versus C60

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    degradation of neutral phenols under high power light irradiation. Self-sensitized destruction caused gradualSelective Oxidative Degradation of Organic Pollutants by Singlet Oxygen-Mediated Photosensitization-derivatized silica (SnP/silica and aminoC60/silica) as 1 O2 generating systems for photo- chemical degradation

  2. Redox probing study of the potential dependence of charge transport through Li2O2

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

    Knudsen, Kristian B.; Luntz, Alan C.; Jensen, Søren H.; Vegge, Tejs; Hjelm, Johan

    2015-11-20

    In the field of energy storage devices the pursuit for cheap, high energy density, reliable secondary batteries is at the top of the agenda. The Li–O2 battery is one of the possible technologies that, in theory, should be able to close the gap, which exists between the present state-of-the-art Li-ion technologies and the demand placed on batteries by technologies such as electrical vehicles. Here we present a redox probing study of the charge transfer across the main deposition product lithium peroxide, Li2O2, in the Li–O2 battery using outer-sphere redox shuttles. The change in heterogeneous electron transfer exchange rate as amore »function of the potential and the Li2O2 layer thickness (~depth-of-discharge) was determined using electrochemical impedance spectroscopy. In addition, the attenuation of the electron transfer exchange rate with film thickness is dependent on the probing potential, providing evidence that hole transport is the dominant process for charge transfer through Li2O2 and showing that the origin of the sudden death observed upon discharge is due to charge transport limitations.« less

  3. Synthesis and Characterization of PhotocatalyticTiO2-ZnFe2O4Nanoparticles

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

    Srinivasan, Sesha S.; Wade, Jeremy; Stefanakos, Elias K.

    2006-01-01

    A new coprecipitation/hydrolysis synthesis route is used to create aTiO2-ZnFe2O4nanocomposite that is directed towards extending the photoresponse ofTiO2from UV to visible wavelengths (>400?nm). The effect ofTiO2's accelerated anatase-rutile phase transformation due to the presence of the coupledZnFe2O4narrow-bandgap semiconductor is evaluated. The transformation's dependence on pH, calcinations temperature, particle size, andZnFe2O4concentration has been analyzed using XRD, SEM, and UV-visible spectrometry. The requirements for retaining the highly photoactive anatase phase present in aZnFe2O4nanocomposite are outlined. The visible-light-activated photocatalytic activity of theTiO2-ZnFe2O4nanocomposites has been compared to an AldrichTiO2reference catalyst, using a solar-simulated photoreactor formore »the degradation of phenol.« less

  4. Visible-light active TiO2 for microwave assisted photocatalytic reactions using mercury electrodeless discharge lamps

    E-Print Network [OSTI]

    Cirkva, Vladimir

    of transition metal ions in wt.% was determined by electron microprobe Ag/TiO2: 143 (Eg) 196 (Eg) 395 (B1g) 513 (A1g) 519 (B1g) 638 (Eg) -50 0 50 100 150 200 250 300 350 400 Int 5001000 Raman shift (cm-1) Raman spectroscopy anatase TiO2: A1g+2B1g+3Eg (Eg) (A1g) (B1g) (B1g) (Eg) (Eg) A B C D A-TiO2 B-V/TiO2 C-Zr/TiO2 D

  5. Dendrimer-Encapsulated Ruthenium Nanoparticles as Catalysts for Lithium-O2 Batteries

    SciTech Connect (OSTI)

    Bhattacharya, Priyanka; Nasybulin, Eduard N.; Engelhard, Mark H.; Kovarik, Libor; Bowden, Mark E.; Li, Shari; Gaspar, Daniel J.; Xu, Wu; Zhang, Jiguang

    2014-12-01

    Dendrimer-encapsulated ruthenium nanoparticles (DEN-Ru) have been used as catalysts in lithium-O2 batteries for the first time. Results obtained from UV-vis spectroscopy, electron microscopy and X-ray photoelectron spectroscopy show that the nanoparticles synthesized by the dendrimer template method are ruthenium oxide instead of metallic ruthenium reported earlier by other groups. The DEN-Ru significantly improve the cycling stability of lithium (Li)-O2 batteries with carbon black electrodes and decrease the charging potential even at low catalyst loading. The monodispersity, porosity and large number of surface functionalities of the dendrimer template prevent the aggregation of the ruthenium nanoparticles making their entire surface area available for catalysis. The potential of using DEN-Ru as stand-alone cathode materials for Li-O2 batteries is also explored.

  6. Composite oxygen transport membrane

    DOE Patents [OSTI]

    Christie, Gervase Maxwell; Lane, Jonathan A.

    2014-08-05

    A method of producing a composite oxygen ion membrane and a composite oxygen ion membrane in which a porous fuel oxidation layer and a dense separation layer and optionally, a porous surface exchange layer are formed on a porous support from mixtures of (Ln.sub.1-xA.sub.x).sub.wCr.sub.1-yB.sub.yO.sub.3-.delta. and a doped zirconia. In the porous fuel oxidation layer and the optional porous surface exchange layer, A is Calcium and in the dense separation layer A is not Calcium and, preferably is Strontium. Preferred materials are (La.sub.0.8Ca.sub.0.2).sub.0.95Cr.sub.0.5Mn.sub.0.5O.sub.3-.delta. for the porous fuel oxidation and optional porous surface exchange layers and (La.sub.0.8Sr.sub.0.2).sub.0.95Cr.sub.0.5Fe.sub.0.5O.sub.3-.delta. for the dense separation layer. The use of such materials allows the membrane to sintered in air and without the use of pore formers to reduce membrane manufacturing costs. The use of materials, as described herein, for forming the porous layers have application for forming any type of porous structure, such as a catalyst support.

  7. Visible Light Photocatalysis via CdS/TiO2Nanocomposite Materials

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

    Srinivasan, Sesha S.; Wade, Jeremy; Stefanakos, Elias K.

    2006-01-01

    Nanostructured colloidal semiconductors with heterogeneous photocatalytic behavior have drawn considerable attention over the past few years. This is due to their large surface area, high redox potential of the photogenerated charge carriers, and selective reduction/oxidation of different classes of organic compounds. In the present paper, we have carried out a systematic synthesis of nanostructured CdS-TiO2via reverse micelle process. The structural and microstructural characterizations of the as-prepared CdS-TiO2nanocomposites are determined using XRD and SEM-EDS techniques. The visible light assisted photocatalytic performance is monitored by means of degradation of phenol in water suspension.

  8. Transmission Electron Microscopy Investigation of Krypton Bubbles in Polycrystalline CeO2

    SciTech Connect (OSTI)

    Lingfeng He; Clarissa Yablinsky; Mahima Gupta; Jian Gan; Marquis A. Kirk; Todd R. Allen

    2013-05-01

    To gain an understanding of gas bubble transport in oxide nuclear fuel, this paper uses polycrystalline CeO2, composed of both nanograins and micrograins, as a surrogate material for UO2. The CeO2 was implanted with 150-keV Kr ions up to a dose of 1 x 1016 ions/cm2 at 600 degrees C. Transmission electron microscopy characterizations of small Kr bubbles in nanograin and micrograin regions were compared. The grain boundary acted as an efficient defect sink, as evidenced by smaller bubbles and a lower bubble density in the nanograin region as compared to the micrograin region.

  9. High Selectivity Oxygen Delignification

    SciTech Connect (OSTI)

    Arthur J. Ragauskas

    2005-09-30

    The overall objective of this program was to develop improved extended oxygen delignification (EOD) technologies for current U.S. pulp mill operations. This was accomplished by: (1) Identifying pulping conditions that optimize O and OO performance; (2) Identifying structural features of lignin that enhance reactivity towards EOD of high kappa pulps; (3) Identifying factors minimizing carbohydrate degradation and improve pulp strength of EOD high kappa pulps; (4) Developing a simple, reproducible method of quantifying yield gains from EOD; and (5) Developing process conditions that significantly reduce the capital requirements of EOD while optimizing the yield benefits. Key research outcomes included, demonstrating the use of a mini-O sequence such as (E+O)Dkf:0.05(E+O) or Dkf:0.05(E+O)(E+O) without interstage washing could capture approximately 60% of the delignification efficiency of a conventional O-stage without the major capital requirements associated with an O-stage for conventional SW kraft pulps. The rate of formation and loss of fiber charge during an O-stage stage can be employed to maximize net fiber charge. Optimal fiber charge development and delignification are two independent parameters and do not parallel each other. It is possible to utilize an O-stage to enhance overall cellulosic fiber charge of low and high kappa SW kraft pulps which is beneficial for physical strength properties. The application of NIR and multi-variant analysis was developed into a rapid and simple method of determining the yield of pulp from an oxygen delignification stage that has real-world mill applications. A focus point of this program was the demonstration that Kraft pulping conditions and oxygen delignification of high and low-kappa SW and HW pulps are intimately related. Improved physical pulp properties and yield can be delivered by controlling the H-factor and active alkali charge. Low AA softwood kraft pulp with a kappa number 30 has an average improvement of 2% in yield and 4 cP in viscosity in comparison to high AA pulp for the oxygen delignification. This difference is also seen for high-kappa SW kraft pulps with an average improvement of {approx}3% in yield and 3 cP in viscosity for low AA high kappa number 50 pulp. Low AA hardwood kappa number 20 pulp had an average improvement of {approx}4% in yield and 6-12 cP in viscosity as compared to high AA pulp. Lower kraft cooking temperature (160 vs. 170 C) in combination with the medium AA provides a practical approach for integrating high kappa pulping of hardwoods (i.e., low rejects) with an advanced extended oxygen delignification stage. ECF pulp bleaching of low and high kappa kraft SW and HW pulps exhibit comparable optical and physical strength properties when bleached D(EPO)D.

  10. 2H2O O2 + 4H+ + 4e b H2O OH + H+

    E-Print Network [OSTI]

    Hendry, Andrew

    2 R2 R2 Ruthenium 'blue dimer' + Figure 1 | Catalytic water oxidation. Photosynthesis is fuelled by the conversion of water into oxygen and hydrogen. a, In the first part of this process, known as water oxidation, water is converted into oxygen, four protons (H+ ) and four electrons (e­ ). b, Oxidation by the removal

  11. Evaluation of Advanced PSA and Oxygen Combustion System for Industrial Furnace Applications 

    E-Print Network [OSTI]

    Delano, M. A.; Lagree, D.; Kwan, Y.

    1988-01-01

    and a low NO x oxygen burner was evaluated for industrial furnace applications. The PSA system employs a two-bed vacuum cycle design with a capacity of 1.3 TPD at 90% O 2 purity. The oxygen generated from the PSA system was directly fed to a... Linde "A" Burner with a nominal capacity of 1 MMBTU/hr. The PSA system has shown an excellent reliability, a low power consumption, and good turndown characteristics. The burner produced a uniform temperature profile in a test furnace operated...

  12. Method and apparatus for producing oxygen and nitrogen and membrane therefor

    DOE Patents [OSTI]

    Roman, I.C.; Baker, R.W.

    1985-09-17

    Process and apparatus for the separation and purification of oxygen and nitrogen as well as a novel membrane useful therein are disclosed. The process utilizes novel facilitated transport membranes to selectively transport oxygen from one gaseous stream to another, leaving nitrogen as a byproduct. In the method, an oxygen carrier capable of reversibly binding molecular oxygen is dissolved in a polar organic membrane which separates a gaseous feed stream such as atmospheric air and a gaseous product stream. The feed stream is maintained at a sufficiently high oxygen pressure to keep the oxygen carrier in its oxygenated form at the interface of the feed stream with the membrane, while the product stream is maintained at a sufficiently low oxygen pressure to keep the carrier in its deoxygenated form at the interface of the product stream with the membrane. In an alternate mode of operation, the feed stream is maintained at a sufficiently low temperature and high oxygen pressure to keep the oxygen carrier in its oxygenated form at the interface of the feed stream with the membrane and the product stream is maintained at a sufficiently high temperature to keep the carrier in its deoxygenated form at the interface of the product stream with the membrane. Under such conditions, the carrier acts as a shuttle, picking up oxygen at the feed side of the membrane, diffusing across the membrane as the oxygenated complex, releasing oxygen to the product stream, and then diffusing back to the feed side to repeat the process. Exceptionally and unexpectedly high O[sub 2]/N[sub 2] selectivity, on the order of 10 to 30, is obtained, as well as exceptionally high oxygen permeability, on the order of 6 to 15 [times] 10[sup [minus]8] cm[sup 3]-cm/cm[sup 2]-sec-cmHg, as well as a long membrane life of in excess of 3 months, making the process commercially feasible. 2 figs.

  13. Site-Specific Imaging of Elemental Steps in Dehydration of Diols on TiO2(110)

    SciTech Connect (OSTI)

    Acharya, Danda P.; Yoon, Yeohoon; Li, Zhenjun; Zhang, Zhenrong; Lin, Xiao; Mu, Rentao; Chen, Long; Kay, Bruce D.; Rousseau, Roger J.; Dohnalek, Zdenek

    2013-11-26

    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.

  14. SnO2-CuO-NaCl/SiO2 Catalysts for Propylene Epoxidation Aaron Miller, Bahman Zohour, Anusorn Seubsai, Daniel Noon, and Selim Senkan*

    E-Print Network [OSTI]

    Senkan, Selim M.

    conversion of 1% at 250 °C and 1 bar. A product shift toward CO2, found to occur during continuous operation of propylene and molecular oxygen over a solid catalyst can also result in combustion to CO2, as well foams, insecticides, antifreeze, and cosmetics.1,2 Propylene oxide production consumes over 10

  15. Oxygen-reducing catalyst layer

    DOE Patents [OSTI]

    O'Brien, Dennis P. (Maplewood, MN); Schmoeckel, Alison K. (Stillwater, MN); Vernstrom, George D. (Cottage Grove, MN); Atanasoski, Radoslav (Edina, MN); Wood, Thomas E. (Stillwater, MN); Yang, Ruizhi (Halifax, CA); Easton, E. Bradley (Halifax, CA); Dahn, Jeffrey R. (Hubley, CA); O'Neill, David G. (Lake Elmo, MN)

    2011-03-22

    An oxygen-reducing catalyst layer, and a method of making the oxygen-reducing catalyst layer, where the oxygen-reducing catalyst layer includes a catalytic material film disposed on a substrate with the use of physical vapor deposition and thermal treatment. The catalytic material film includes a transition metal that is substantially free of platinum. At least one of the physical vapor deposition and the thermal treatment is performed in a processing environment comprising a nitrogen-containing gas.

  16. Adsorption of water on O(2x2)/Ru(0001): thermal stability and inhibition of dissociation by H2O-O bonding

    E-Print Network [OSTI]

    Mugarza, Aitor

    2009-01-01

    On the O(2x2) areas intact water monomers are still visible.Adsorption of water on O(2x2)/Ru(0001): thermal stabilityJapan. Adsorption of water on O(2x2)/Ru(0001) Corresponding

  17. The problem of a metal impurity in an oxide: ab-initio study of electronic and structural properties of Cd in Rutile TiO2

    E-Print Network [OSTI]

    L. Errico; G. Fabricius; M. Renteria

    2007-04-18

    In this work we undertake the problem of a transition metal impurity in an oxide. We present an ab-initio study of the relaxations introduced in TiO2 when a Cd impurity replaces substitutionally a Ti atom. Using the Full-Potential Linearized-Augmented-Plane-Wave method we obtain relaxed structures for different charge states of the impurity and computed the electric-field gradients (EFGs) at the Cd site. We find that EFGs, and also relaxations, are dependent on the charge state of the impurity. This dependence is very remarkable in the case of the EFG and is explained analyzing the electronic structure of the studied system. We predict fairly anisotropic relaxations for the nearest oxygen neighbors of the Cd impurity. The experimental confirmation of this prediction and a brief report of these calculations have recently been presented [P.R.L. 89, 55503 (2002)]. Our results for relaxations and EFGs are in clear contradiction with previous studies of this system that assumed isotropic relaxations and point out that no simple model is viable to describe relaxations and the EFG at Cd in TiO2 even approximately.

  18. Oxygenates from synthesis gas

    SciTech Connect (OSTI)

    Falter, W.; Keim, W.

    1994-12-31

    The direct synthesis of oxygenates starting from synthesis gas is feasible by homogeneous and heterogeneous catalysis. Homogeneous Rh and Ru based catalysts yielding methyl formate and alcohols will be presented. Interestingly, modified heterogeneous catalysts based on {open_quotes}Isobutyl Oel{close_quotes} catalysis, practized in Germany (BRD) up to 1952 and in the former DDR until recently, yield isobutanol in addition to methanol. These {open_quotes}Isobutyl Oel{close_quotes} catalysts are obtained by adding a base such as Li < Na < K < Cs to a Zn-Cr{sub 2}O{sub 3} methanol catalyst. Isobutanol is obtained in up to 15% yield. Our best catalyst a Zr-Zn-Mn-Li-Pd catalyst produced isobotanol up to 60% at a rate of 740g isobutanol per liter catalyst and hour.

  19. Photoelectrochemical Water Splitting of Nitrogen and Hydrogen Treated P25 TiO2 Films

    E-Print Network [OSTI]

    Zavodivker, Liat Shari

    2014-01-01

    Quantum Dot Solar Cells. Harvesting Light Energy with CdSeSolar Cells by Design: Photoelectrochemistry of TiO 2 Nanorod Arrays Decorated with CdSe.Solar Cells. Tuning Photoresponse through Size and Shape Control of CdSe

  20. The pore wall structure of porous semi-crystalline anatase TiO2.

    SciTech Connect (OSTI)

    Kim, Dr Man-Ho [National Institute of Standards and Technol/University of Maryland, College Park; Doh, Dr. Jeong-Mann [Harbin Institute of Technology & Korea Institute of Science and Technology; Han, Seong Chul [Harbin Institute of Technology & Korea Institute of Science and Technology; Chae, Keun Hwa [Harbin Institute of Technology & Korea Institute of Science and Technology; Yu, Byung-Yong [Harbin Institute of Technology & Korea Institute of Science and Technology; Hong, Kyung Tea [Harbin Institute of Technology & Korea Institute of Science and Technology; Jackson, Andrew [NIST Center for Neutron Research (NCRN), Gaithersburg, MD; Anovitz, Lawrence {Larry} M [ORNL

    2011-01-01

    The structure of porous TiO2 prepared by electrochemical anodization in a fluoride-containing ethylene glycol electrolyte solution was quantitatively studied using small-angle neutron scattering (SANS) and ultra-small-angle neutron scattering (USANS). The cylindrical pores along the coaxial direction were somewhat irregular in shape, were widely distributed in diameter, and seemed to have a broadly pseudo-hexagonal arrangement. The scattering from the pore wall showed a negative deviation from Porod scattering, indicating that the interface between TiO2 and the pore was not sharp. A density gradient of around 40 60 A at the pore wall (i.e. the interface between the pore and the TiO2 matrix) was estimated using both constant and semi-sigmoidal interface models. This gradient may be due to the presence of fluorine and carbon partially absorbed by the pore wall from the fluoride-containing electrolyte or to sorbed water molecules on the wall. The neutron contrast-matching point between the TiO2 matrix and the pores filled with liquid H2O/D2O mixtures was 51/49%(v/v) H2O/D2O, yielding an estimated mass density of 3.32 g cm3. The specific surface area of the sample derived from the (U)SANS data was around 939 1003 m2 cm3 (283 302 m2 g1).

  1. The pore wall structure of porous semi-crystalline anatase TiO2

    SciTech Connect (OSTI)

    Kim, Dr Man-Ho [National Institute of Standards and Technol/University of Maryland, College Park; Doh, Dr. Jeong-Mann [Harbin Institute of Technology & Korea Institute of Science and Technology; Han, Seong Chul [Harbin Institute of Technology & Korea Institute of Science and Technology; Chae, Keun Hwa [Harbin Institute of Technology & Korea Institute of Science and Technology; Yu, Byung-Yong [Harbin Institute of Technology & Korea Institute of Science and Technology; Hong, Kyung Tea [Harbin Institute of Technology & Korea Institute of Science and Technology; Jackson, Andrew [NIST Center for Neutron Research (NCRN), Gaithersburg, MD; Anovitz, Lawrence {Larry} M [ORNL

    2011-01-01

    The structure of porous TiO2 prepared by electrochemical anodization in a fluoride-containing ethylene glycol electrolyte solution was quantitatively studied using small angle neutron scattering (SANS) and ultra small angle neutron scattering (USANS). The cylindrical pores along the coaxial direction were somewhat irregular shape, were broadly distributed in diameter, and seemed to have a broadly pseudo-hexagonal arrangement. The scattering from the pore wall showed a negative deviation from Porod scattering, indicating the interface between TiO2 and the pore was not sharp. A density gradient of around 40 ~ 60 at the pore wall (i.e. interface between the pore and the TiO2 matrix) was estimated using both constant and semi-sigmoidal interface models. This may be due to the presence of fluorine and carbon partially absorbed by the pore wall from the fluoride-containing electrolyte and sorbed water molecules on the wall. The neutron contrast-matching point between the TiO2 matrix and the pores filled with liquid H2O/D2O mixtures was 51/49 vol/vol H2O/D2O, yielding an estimated mass density of 3.32 g/cm3. The specific surface area of the sample derived from the (U)SANS data, S/V, was around 939 ~ 1003 m2/cm3 (283~ 302m2/g).

  2. Optical excitations of metallic nanoclusters buried in TiO2 for solar photochemistry

    E-Print Network [OSTI]

    the absorption of the solar spectrum by through utilizing their plasmon resonances. One challengeOptical excitations of metallic nanoclusters buried in TiO2 for solar photochemistry Fei WangV range, a much better match to the solar spectrum than the 3.8 eV Ag plasmon. AFM measurements indicate

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

    E-Print Network [OSTI]

    Truong, Thanh N.

    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

  4. Photophysics of O2 excited by tunable laser radiation around 193 nm B. L. G. Bakkera)

    E-Print Network [OSTI]

    Nijmegen, University of

    Photophysics of O2 excited by tunable laser radiation around 193 nm B. L. G. Bakkera) and D. H and the velocity map imaging technique. Angular and kinetic energy distributions of the product O ions and O(3 P2 by tunable radiation around 193 nm, a wavelength falling within the Schumann­Runge bands,1 the dominant

  5. High Energy Density Cathode for Lithium Batteries: From LiCoO_(2) to Sulfur 

    E-Print Network [OSTI]

    Pu, Xiong

    2014-05-29

    be viable. This dissertation, motivated with these aims, investigated both Li-ion batteries and Li-S batteries. LiCoO_(2), though it has been commercialized in Li-ion batteries, still has the potential to achieve higher energy density, since its practical...

  6. Hydroxyl-Quenching Effects on the Photoluminescence Properties of SnO2:Eu3+ Nanoparticles

    E-Print Network [OSTI]

    Park, Byungwoo

    Hydroxyl-Quenching Effects on the Photoluminescence Properties of SnO2:Eu3+ Nanoparticles Taeho: January 20, 2007 The effects of hydroxyl quenching were examined on the photoluminescence properties of Sn, and this behavior with XPS confirmed the hydroxyl-quenching effect. Introduction For display devices, such as plasma

  7. Preparation of Size-Controlled TiO2 Nanoparticles and Derivation of Optically Transparent Photocatalytic

    E-Print Network [OSTI]

    Kim, Sang Kyu

    for controlling the size of individual particles and for obtaining the stabilized colloidal suspensions. TiO2, and the long-term stability of the suspension without ag- glomeration or precipitation is prerequisite alkoxide stabilized in acidic ethanol/water solution. The sizes of particles have been controlled

  8. Carbon Nitride-TiO2 Hybrid Modified with Hydrogenase for Visible Light Driven Hydrogen Production

    E-Print Network [OSTI]

    Caputo, Christine A.; Wang, Lidong; Beranek, Radim; Reisner, Erwin

    2015-06-29

    5.8 × 105 mol H2 (mol H2ase)–1 after 72 h in a sacrificial electron donor solution at pH 6 during solar AM 1.5G irradiation. An external quantum efficiency up to 4.8 % for photon to hydrogen conversion was achieved. The CNx-TiO2-H2ase construct...

  9. Mechanism of O2 Activation and Methanol Production by (Di(2-pyridyl)methanesulfonate)PtII

    E-Print Network [OSTI]

    Goddard III, William A.

    Mechanism of O2 Activation and Methanol Production by (Di(2- pyridyl)methanesulfonate)PtII Me observed for the SN2 functionalization to form methanol by two isomeric (dpms)PtIV Me(OH)2 complexes, one conversion of methane to methanol at low temper- ature is crucial for transportation of shale gas produced

  10. SnO2 Filled Mesoporous Tin Phosphate High Capacity Negative Electrode for Lithium Secondary Battery

    E-Print Network [OSTI]

    Cho, Jaephil

    SnO2 Filled Mesoporous Tin Phosphate High Capacity Negative Electrode for Lithium Secondary Battery insulators, and optics.1-6 On the other hand, their applications to electrode materials in lithium secondary batteries have received little attention because of the very limited candidates.7,8 Recently

  11. Graphene arch gate SiO2 shell silicon nanowire core field effect transistors

    E-Print Network [OSTI]

    Hwang, Sung Woo

    graphene into more complementary metal oxide semiconductor (CMOS)-friendly architectures. FurthermoreGraphene arch gate SiO2 shell silicon nanowire core field effect transistors J. E. Jin, J. H. Lee) metal-semiconductor field-effect transistors on single-crystal -Ga2O3 (010) substrates Appl. Phys. Lett

  12. Inorganic-modified semiconductor TiO2 nanotube arrays for photocatalysis

    E-Print Network [OSTI]

    Lin, Zhiqun

    Inorganic-modified semiconductor TiO2 nanotube arrays for photocatalysis Mengye Wang,ab James Ioccozia,b Lan Sun,*a Changjian Lin*a and Zhiqun Lin*b Semiconductor photocatalysis is a promising resistance, and nontoxicity. This Review briefly introduces the key mechanisms of photocatalysis, highlights

  13. Direct Evidence of Lithium-Induced Atomic Ordering in Amorphous TiO2 Nanotubes

    SciTech Connect (OSTI)

    Gao, Qi; Gu, Meng; Nie, Anmin; Mashayek, Farzad; Wang, Chong M.; Odegard, Gregory M.; Shahbazian-Yassar, Reza

    2014-01-27

    In this paper, we report the first direct chemical and imaging evidence of lithium-induced atomic ordering in amorphous TiO2 nanomaterials and propose new reaction mechanisms that contradict the many works in the published literature on the lithiation behavior of these materials. The lithiation process was conducted in situ inside an atomic resolution transmission electron microscope. Our results indicate that the lithiation started with the valence reduction of Ti4+ to Ti3+ leading to a LixTiO2 intercalation compound. The continued intercalation of Li ions in TiO2 nanotubes triggered an amorphous to crystalline phase transformation. The crystals were formed as nano-islands and identified to be Li2Ti2O4 with cubic structure (a = 8.375 Å). The tendency for the formation of these crystals was verified with density functional theory (DFT) simulations. The size of the crystalline islands provides a characteristic length scale (?5 nm) at which the atomic bonding configuration has been changed within a short time period. This phase transformation is associated with local inhomogeneities in Li distribution. On the basis of these observations, a new reaction mechanism is proposed to explain the first cycle lithiation behavior in amorphous TiO2 nanotubes.

  14. 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 irradiation in a vacuum show some Ti3+ centers. In contrast, under these conditions only weak signals activated by UV irradiation.1,2 However, reduced quantum yields, along with the gen- eration of undesired

  15. Rapid construction of TiO2 aggregates using microwave assisted synthesis and its application for

    E-Print Network [OSTI]

    Cao, Guozhong

    Rapid construction of TiO2 aggregates using microwave assisted synthesis and its application for dye-sensitized solar cells Xuyang Wang,a Jianjun Tian,*a Chengbin Fei,b Lili Lv,a Yajie Wangb, with a size of $500 nm have been synthesized by a microwave assisted method at 150 C in a short time ($10

  16. Effect of Niobium on the Defect Chemistry and Oxidation Kinetics of Tetragonal ZrO2

    E-Print Network [OSTI]

    Yildiz, Bilge

    of Nuclear Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge transport limits the oxidation kinetics. 1. INTRODUCTION Zirconia (ZrO2) is among the most important metal-6 Furthermore, zirconia is used in biomedical hip implants7 and dental restorations8 and recently

  17. Request for Alternative Commencement Site (Form O-2 Undergraduate Associate Students Only)

    E-Print Network [OSTI]

    Maroncelli, Mark

    Request for Alternative Commencement Site (Form O-2 Undergraduate Associate Students Only will be forwarded to the Graduation Coordinator in the Dean's Office of the alternative site College for their approval. The alternative site College being asked to consider this request reserves the right to approve

  18. Enhanced Photovoltaic Performance of Nanostructured Hybrid Solar Cell Using Highly Oriented TiO2 Nanotubes

    E-Print Network [OSTI]

    Cao, Guozhong

    -called third generation of solar cells including dye-sensitized solar cells, DSCs2,3 and organic phoEnhanced Photovoltaic Performance of Nanostructured Hybrid Solar Cell Using Highly Oriented TiO2- tovoltaics, OPVs.4-6 OPVs or polymer-based photovoltaic devices can be processed from solution and have

  19. Hierarchically structured TiO2 for Ba-filled skutterudite with enhanced thermoelectric

    E-Print Network [OSTI]

    Cao, Guozhong

    Hierarchically structured TiO2 for Ba-filled skutterudite with enhanced thermoelectric performance be considered. Thermoelectric (TE) materials are a very good candidate to achieve a more efficient usage performance of a thermoelectric material is governed by its power factor P ¼ S2 s. The challenge to develop

  20. Photoelectrochemical hydrogen production from water/ methanol decomposition using Ag/TiO2 nanocomposite

    E-Print Network [OSTI]

    coal and gasoline [3]. Moreover, hydrogen can be used in fuel cells to generate electricity, or directly as a transportation fuel [4]. Hydrogen can be generated from hydrocarbons and water resources are low cost, environmentally friendly, high efficiency and stability. TiO2 is a strong candidate due

  1. GEOPHYSICAL RESEARCH LETTERS, VOL. 40, 16, doi:10.1002/grl.50415, 2013 The importance of pickup oxygen ion precipitation to the Mars upper

    E-Print Network [OSTI]

    Johnson, Robert E.

    by the fields in the solar wind. Ion precipitation and their impact on the Mars atmosphere has been extensively oxygen ion precipitation to the Mars upper atmosphere under extreme solar wind conditions Xiaohua Fang,1 to very important when upstream solar wind conditions vary from normal to extreme. The atmospheric

  2. Probing the Failure Mechanism of SnO2 Nanowires for Sodium-ion Batteries

    SciTech Connect (OSTI)

    Gu, Meng; Kushima, Akihiro; Shao, Yuyan; Zhang, Jiguang; Liu, Jun; Browning, Nigel D.; Li, Ju; Wang, Chong M.

    2013-09-30

    Non-lithium metals such as sodium have attracted wide attention as a potential charge carrying ion for rechargeable batteries, performing the same role as lithium in lithium- ion batteries. As sodium and lithium have the same +1 charge, it is assumed that what has been learnt about the operation of lithium ion batteries can be transferred directly to sodium batteries. Using in-situ TEM, in combination with DFT calculations, we probed the structural and chemical evolution of SnO2 nanowire anodes in Na-ion batteries and compared them quantitatively with results from Li-ion batteries [Science 330 (2010) 1515]. Upon Na insertion into SnO2, a displacement reaction occurs, leading to the formation of amorphous NaxSn nanoparticles covered by crystalline Na2O shell. With further Na insertion, the NaxSn core crystallized into Na15Sn4 (x=3.75). Upon extraction of Na (desodiation), the NaxSn core transforms to Sn nanoparticles. Associated with a volume shrinkage, nanopores appear and metallic Sn particles are confined in hollow shells of Na2O, mimicking a peapod structure. These pores greatly increase electrical impedance, therefore naturally accounting for the poor cyclability of SnO2. DFT calculations indicate that Na+ diffuses 30 times slower than Li+ in SnO2, in agreement with in-situ TEM measurement. Insertion of Na can chemo-mechanically soften the reaction product to greater extent than in lithiation. Therefore, in contrast to the lithiation of SnO2, no dislocation plasticity was seen ahead of the sodiation front. This direct comparison of the results from Na and Li highlights the critical role of ionic size and electronic structure of different ionic species on the charge/discharge rate and failure mechanisms in these batteries.

  3. In vitro biocompatibility study of nano TiO2 materials , Y.D. Wang2,b

    E-Print Network [OSTI]

    Zheng, Yufeng

    Company, LTD. TiO2 nanotube, with mean diameter 20nm, was provided by Department of Physics, HongkongIn vitro biocompatibility study of nano TiO2 materials W. Han1, a , Y.D. Wang2,b and Y.F. Zheng3,c yfzheng@pku.edu.cn Keywords: nano TiO2, in vitro, biocompatibility, cell proliferation, cell apoptosis

  4. Role of Benzyl Alcohol in Controlling the Growth of TiO2 on Carbon Nanotubes David J. Cooke,*,

    E-Print Network [OSTI]

    Elliott, James

    Role of Benzyl Alcohol in Controlling the Growth of TiO2 on Carbon Nanotubes David J. Cooke) in the morphological control of the growth of TiO2 on carbon nanotubes (CNTs) by the consideration of two model systems of thin-film TiO2.14,15 Kongkanand et al. reported that combining single-wall carbon nanotubes (SWCNTs

  5. Oxygen detection using evanescent fields

    DOE Patents [OSTI]

    Duan, Yixiang (Los Alamos, NM); Cao, Weenqing (Los Alamos, NM)

    2007-08-28

    An apparatus and method for the detection of oxygen using optical fiber based evanescent light absorption. Methylene blue was immobilized using a sol-gel process on a portion of the exterior surface of an optical fiber for which the cladding has been removed, thereby forming an optical oxygen sensor. When light is directed through the optical fiber, transmitted light intensity varies as a result of changes in the absorption of evanescent light by the methylene blue in response to the oxygen concentration to which the sensor is exposed. The sensor was found to have a linear response to oxygen concentration on a semi-logarithmic scale within the oxygen concentration range between 0.6% and 20.9%, a response time and a recovery time of about 3 s, ant to exhibit good reversibility and repeatability. An increase in temperature from 21.degree. C. to 35.degree. C. does not affect the net absorption of the sensor.

  6. Tumor angiogenesis, O2 saturation, glucose and amino acid metabolisms study using functional imaging 

    E-Print Network [OSTI]

    Xie, Xueyi

    2009-05-15

    This research is primarily focused on the study of tumors in experimental animal models using functional imaging in the presence of various contrast agents. The study of malignant tumor angiogenesis, oxygen saturation, ...

  7. Two-stage epitaxial growth of vertically-aligned SnO2 nano-rods on(001) ceria

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

    Solovyov, Vyacheslav F. [Brookhaven National Lab. (BNL), Upton, NY (United States); Wu, Li-jun [Brookhaven National Lab. (BNL), Upton, NY (United States); Rupich, Martin W. [American Superconductor, Devens, MA (United States); Sathyamurthy, Srivatsan [American Superconductor, Devens, MA (United States); Li, Xiaoping [American Superconductor, Devens, MA (United States); Li, Qiang [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2014-12-01

    Growth of high-aspect ratio oriented tin oxide, SnO2, nano-rods is complicated by a limited choice of matching substrates. We show that a (001) cerium oxide, CeO2, surface uniquely enables epitaxial growth of tin-oxide nano-rods via a two-stage process. First, (100) oriented nano-wires coat the ceria surface by lateral growth, forming a uniaxially-textured SnO2 deposit. Second, vertical SnO2nano-rods nucleate on the deposit by homoepitaxy. We demonstrate growth of vertically oriented 1-2 ?m long nano-rods with an average diameter of ?20 nm.

  8. PET exam A 424304 20-032013 Short answers 111. Ex = Ex (O2) + Ex(N2) + Ex (unmix)

    E-Print Network [OSTI]

    Zevenhoven, Ron

    (303/293)+8,314*293*ln(5) = 2288,6 W Similar Ex (N2) = 3709,8 W, and Ex (unmix) = 3478,1 W Total = 9475PET exam ÅA 424304 20-032013 Short answers 111. Ex = Ex (O2) + Ex(N2) + Ex (unmix) Ex (O2) = (O2 --- Similar for N2. Ex (unmix) = · -R·T·(0.21ln0.21 + 079ln0.79) Ex (O2) = (2100/3600)*(29,4*10-293*29,4*ln

  9. Efficiency of clay-TiO2 nanocomposites on the photocatalytic elimination of a model hydrophobic air pollutant

    E-Print Network [OSTI]

    Kibanova, Daria

    2010-01-01

    of semiconductor photocatalysis Chem. Rev. 1995, 95, 69-effluents by TiO 2 photocatalysis Catalysis Today 2000, 63,clay on adsorption and photocatalysis of gaseous molecules

  10. 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

  11. Two-stage epitaxial growth of vertically-aligned SnO2 nano-rods on(001) ceria

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

    Solovyov, Vyacheslav F.; Wu, Li-jun; Rupich, Martin W.; Sathyamurthy, Srivatsan; Li, Xiaoping; Li, Qiang

    2014-09-20

    Growth of high-aspect ratio oriented tin oxide, SnO2, nano-rods is complicated by a limited choice of matching substrates. We show that a (001) cerium oxide, CeO2, surface uniquely enables epitaxial growth of tin-oxide nano-rods via a two-stage process. First, (100) oriented nano-wires coat the ceria surface by lateral growth, forming a uniaxially-textured SnO2 deposit. Second, vertical SnO2nano-rods nucleate on the deposit by homoepitaxy. We demonstrate growth of vertically oriented 1-2 ?m long nano-rods with an average diameter of ?20 nm.

  12. Atmospheric Transport of Radionuclides

    SciTech Connect (OSTI)

    Crawford, T.V.

    2003-03-03

    The purpose of atmospheric transport and diffusion calculations is to provide estimates of concentration and surface deposition from routine and accidental releases of pollutants to the atmosphere. This paper discusses this topic.

  13. Studies of the Excited State Dynamics of N2O2 by Dissociative Photodetachment of N2O2 Runjun Li and Robert E. Continetti*

    E-Print Network [OSTI]

    Continetti, Robert E.

    to their potential importance as intermediates in catalytic reduction processes1,2 and as potential energetic materials.3 The weakly bound ground- state dimer of nitric oxide, (NO)2, has been extensively investigated The oxides of nitrogen play an important role in atmospheric chemistry and have received attention owing

  14. Atmospheric chemistry and global change

    E-Print Network [OSTI]

    Prather, MJ

    1999-01-01

    and particles. Thus Atmospheric Chemistry and Global Changethe future of atmospheric chemistry. BROWSINGS Tornadothe complexity of atmospheric chemistry well, but trips a

  15. Current-Controlled Negative Differential Resistance due to Joule Heating in TiO2

    E-Print Network [OSTI]

    A. S. Alexandrov; A. M. Bratkovsky; B. Bridle; S. E. Savel'ev; D. B. Strukov; R. Stanley Williams

    2011-08-15

    We show that Joule heating causes current-controlled negative differential resistance (CC-NDR) in TiO2 by constructing an analytical model of the voltage-current V(I) characteristic based on polaronic transport for Ohm's Law and Newton's Law of Cooling, and fitting this model to experimental data. This threshold switching is the 'soft breakdown' observed during electroforming of TiO2 and other transition-metal-oxide based memristors, as well as a precursor to 'ON' or 'SET' switching of unipolar memristors from their high to their low resistance states. The shape of the V(I) curve is a sensitive indicator of the nature of the polaronic conduction.

  16. Aggregated TiO2 Based Nanotubes for Dye Sensitized Solar Cells

    SciTech Connect (OSTI)

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

    2013-11-01

    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.

  17. Aligned Epitaxial SnO2 Nanowires on Sapphire: Growth and Device Applications Supporting

    E-Print Network [OSTI]

    Zhou, Chongwu

    maximum tube furnace from Lindberg/Blue M with a ramping rate of 23°C/min. An 1100°C one-inch tube furnace-inch furnace to complete a thermal de-wetting step at 800°C for 15 minutes in ambient air. The synthesis of aligned SnO2 nanowires was carried out in a horizontal quartz tube in the one-inch furnace. The Sn powder

  18. Relaxation of 2+1 dimensional classical O(2) symmetric scalar fields

    E-Print Network [OSTI]

    Borsanyi, S; Borsanyi, Sz.; Szep, Zs.

    2001-01-01

    Real time thermalization and relaxation phenomena are studied in the low energy density phase of the 2+1 dimensional classical O(2) symmetric scalar theory by solving numerically its dynamics. The near-equilibrium decay rate of on-shell waves and the power law governing the large time asymptotics of the off-shell relaxation agree with the analytic results based on linear response theory. The realisation of the Mermin-Wagner theorem is also studied in the final equilibrium ensemble.

  19. Non-thermal Plasma - Nanometer TiO2 Photocatalysis for Formaldehyde Decomposition 

    E-Print Network [OSTI]

    Yuan, Q.; Feng, G.; Guang, X.

    2006-01-01

    for the carcinogenicity, the allergy source which is commonly recognized, and one of the latent sudden-change leading matters by the World Health Organization. Therefore, indoor pollutant purification is imperative. At present, the indoor pollutant purification... is more promising. Key words: Air cleaning Techonlogy; Non-thermal Plasma; TiO2 Photocatalysis 1. INTRODUCTION The volatile organic matter (VOCs) [ 1 ]is the main pollution source of indoor air, also the toxicity is extremely big, can lead...

  20. Atomistic Studies of Cation Transport in Tetragonal ZrO2 During Zirconium Corrosion

    SciTech Connect (OSTI)

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

    2013-10-01

    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.

  1. Valence electronenergy-lossspectroscopystudyofZrSiO4 and ZrO2

    SciTech Connect (OSTI)

    Spence, John; Jiang, Nan

    2013-07-01

    ZrSiO4 (zircon) and m-ZrO2 (zirconia) are fundamental and industrially important materials.This work reports the detailed valence electron energy-loss spectroscopy (VEELS) studies of these compounds. The dielectric response functions, as well as single-electron interband transition spectra,are derived from VEELS data for both ZrSiO4 and m-ZrO2, in the rang e5–50 eV using the Kramers–Kronig analysis method. Our interpretation of the interband transitions is given with the aid of ab initio calculations of density of states. The bandgap energies for both materials are also measured using VEELS.The surface and bulk plasmons are identified: the surface plasmon peaks locate at around 12 eV,and two bulk plasmon peaks are ~15–16 eV and ~25–27 eV,respectively.Although similarities in the VEELS exist between ZrSiO4 and m-ZrO2, two majo rdifferences are als onoticed and explained in terms of composition and structure differences.

  2. Oxygen Transport Ceramic Membranes

    SciTech Connect (OSTI)

    S. Bandopadhyay; N. Nagabhushana

    2003-08-07

    In the present quarter, experiments are presented on ceramic/metal interactions of Zirconia/ Ni-B-Si system and with a thin Ti coating deposited on zirconia surface. Existing facilities were modified for evaluation of environmental assisted slow crack growth and creep in flexural mode. Processing of perovskites of LSC, LSF and LSCF composition were continued for evaluation of mechanical properties as a function of environment. These studies in parallel to those on the LSFCO composition is expect to yield important information on questions such as the role of cation segregation and the stability of the perovskite structure on crack initiation vs. crack growth. Studies have been continued on the La{sub 1-x}Sr{sub x}FeO{sub 3-d} composition using neutron diffraction and TGA studies. A transition from p-type to n-type of conductor was observed at relative low pO{sub 2}, at which the majority carriers changed from the holes to electrons because of the valence state decreases in Fe due to the further loss of oxygen. Investigation on the thermodynamic properties of the membrane materials are continued to develop a complete model for the membrane transport. Data obtained at 850 C show that the stoichiometry in La{sub 0.2}Sr{sub 0.8}Fe{sub 0.8}Cr{sub 0.2}O{sub 3-x} vary from {approx}2.85 to 2.6 over the pressure range studied. From the stoichiometry a lower limit of 2.6 corresponding to the reduction of all Fe{sup 4+} to Fe{sup 3+} and no reduction of Cr{sup 3+} is expected.

  3. MODELLING MODIFIED ATMOSPHERE PACKAGING FOR FRUITS AND VEGETABLES USING MEMBRANE SYSTEMS

    E-Print Network [OSTI]

    Hinze, Thomas

    of polymeric film in or- der to modify the O2 and CO2 concentrations inside the package, reducing metabolic are not fully under- stood. As examples we can refer to the little knowl- edge about the effect of CO2MODELLING MODIFIED ATMOSPHERE PACKAGING FOR FRUITS AND VEGETABLES USING MEMBRANE SYSTEMS Gabi

  4. Stabilization of CO2 Atmospheres on Exoplanets around M Dwarf Stars

    E-Print Network [OSTI]

    Gao, Peter; Robinson, Tyler D; Li, Cheng; Yung, Yuk L

    2015-01-01

    We investigate the chemical stability of CO2-dominated atmospheres of M dwarf terrestrial exoplanets using a 1-dimensional photochemical model. On planets orbiting Sun-like stars, the photolysis of CO2 by Far-UV (FUV) radiation is balanced by the reaction between CO and OH, the rate of which depends on H2O abundance. By comparison, planets orbiting M dwarf stars experience higher FUV radiation compared to planets orbiting Sun-like stars, and they are also likely to have low H2O abundance due to M dwarfs having a prolonged, high-luminosity pre-main sequence (Luger & Barnes 2015). We show that, for H2O-depleted planets around M dwarfs, a CO2-dominated atmosphere is stable to conversion to CO and O2 by relying on a catalytic cycle involving H2O2 photolysis. However, this cycle breaks down for planets with atmospheric hydrogen mixing ratios below ~1 ppm, resulting in ~40% of the atmospheric CO2 being converted to CO and O2 on a time scale of 1 Myr. The increased abundance of O2 also results in high O3 concent...

  5. Electrochemical oxygen pumps. Final CRADA report.

    SciTech Connect (OSTI)

    Carter, J. D. Noble, J.

    2009-10-01

    All tasks of the Work Plan of ISTC Project 2277p have been completed, thus: (1) techniques of chemical synthesis were developed for more than ten recipes of electrolyte based on cerium oxide doped with 20 mole% of gadolinium (CeGd)O{sub 2}, doped by more than 10 oxide systems including 6 recipes in addition to the Work Plan; (2) electric conductivity and mechanical strength of CeGd specimens with additions of oxide systems were performed, two candidate materials for the electrolyte of electrochemical oxygen pump (pure CeGd and CeGd doped by 0.2 wt% of a transition metal) were chosen; (3) extended studies of mechanical strength of candidate material specimens were performed at room temperature and at 400, 600, 800 C; (4) fixtures for determination of mechanical strength of tubes by external pressure above 40 atmospheres at temperature up to 700 C were developed and fabricated; and (5) technology of slip casting of tubes from pure (Ce,Gd)O{sub 2} and of (Ce,Gd)O{sub 2} doped by 0.2 wt% of a transition metal, withstanding external pressure of minimum 40 atmospheres at temperature up to 700 C was developed, a batch of tubes was sent for testing to Argonne National Laboratory; (6) technology of making nanopowder from pure (Ce,Gd)O{sub 2} was developed based on chemical synthesis and laser ablation techniques, a batch of nanopowder with the weight 1 kg was sent for testing to Argonne National Laboratory; (7) a business plan for establishing a company for making powders of materials for electrochemical oxygen pump was developed; and (8) major results obtained within the Project were reported at international conferences and published in the Russian journal Electrochemistry. In accordance with the Work Plan a business trip of the following project participants was scheduled for April 22-29, 2006, to Tonawanda, NY, USA: Manager Victor Borisov; Leader of technology development Gennady Studenikin; Leader of business planning Elena Zadorozhnaya; Leader of production Vasily Lepalovsky; and Translator Vladimir Litvinov. During this trip project participants were to discuss with the project Technical Monitor J.D. Carter and representative of Praxair Inc. J. Chen the results of project activities (prospects of transition metal-doped material application in oxygen pumps), as well as the prospects of cooperation with Praxair at the meeting with the company management in the following fields: (1) Deposition of thin films of oxide materials of complex composition on support by magnetron and ion sputtering, research of coatings properties; (2) Development of block-type structure technology (made of porous and dense ceramics) for oxygen pump. The block-type structure is promising because when the size of electrolyte block is 2 x 2 inches and assembly height is 10 inches (5 blocks connected together) the area of active surface is ca. 290 square inches (in case of 8 slots), that roughly corresponds to one tube with diameter 1 inch and height 100 inches. So performance of the system made of such blocks may be by a factor of two or three higher than that of tube-based system. However one month before the visit, J. Chen notified us of internal changes at Praxair and the cancellation of the visit to Tonawanda, NY. During consultations with the project Technical Monitor J.D. Carter and Senior Project Manager A. Taylor a decision was made to extend the project term by 2 quarters to prepare proposals for follow-on activities during this extension (development of block-type structures made of dense and porous oxide ceramics for electrochemical oxygen pumps) using the funds that were not used for the trip to the US.

  6. 19.2% Efficient InP Heterojunction Solar Cell with Electron-Selective TiO2 Contact

    E-Print Network [OSTI]

    Javey, Ali

    19.2% Efficient InP Heterojunction Solar Cell with Electron-Selective TiO2 Contact Xingtian Yin for solar energy conversion.20 The most efficient InP solar cells use a homojunction configurationP to form a heterojunction solar cell with an efficiency of 17.4%.23,24 Here, by employing a TiO2 electron

  7. The electrochemical reactions of SnO2 with Li and Na: a study using thin films and mesoporous carbons

    SciTech Connect (OSTI)

    Gorka, Joanna [ORNL; Baggetto, Loic [ORNL; Keum, Jong Kahk [ORNL; Mahurin, Shannon Mark [ORNL; Mayes, Richard T [ORNL; Dai, Sheng [ORNL; Veith, Gabriel M [ORNL

    2015-01-01

    In this work we have determined the room temperature electrochemical reactivity of SnO2 thin films and mesoporous carbons filled with SnO2 anodes with Na, and compare the results with those obtained during the reaction with Li. We show that SnO2 can reversibly deliver up to 6.2 Li/SnO2 whereas the reaction with Na is significantly limited. The initial discharge capacity is equivalent to less than 4 Na/SnO2, which is expected to correspond to the formation of 2 Na2O and Sn. This limited discharge capacity suggests the negative role of the formed Na2O matrix upon the reversible reaction of Sn clusters. Moreover, the reversible cycling of less than 1 Na/SnO2, despite the utilization of 6-7 nm SnO2 particles, is indicative of sluggish reaction kinetics. The origin of this significant capacity reduction is likely due to the formation of a diffusion limiting interface. Furthermore, there is a larger apparent hysteresis compared to Li. These results point to the need to design composite structures of SnO2 nanoparticles with suitable morphological and conductivity components.

  8. O2 Reduction on Graphite and Nitrogen-Doped Graphite: Experiment and Theory Reyimjan A. Sidik and Alfred B. Anderson*

    E-Print Network [OSTI]

    Popov, Branko N.

    toward NOx reduction.7,8 Others are oxidation catalysts.9 In the case of NOx oxidation and O2 reductionO2 Reduction on Graphite and Nitrogen-Doped Graphite: Experiment and Theory Reyimjan A. Sidik for reduction of approximately 0.5 V (SHE) compared to the onset potential of 0.2 V observed for untreated

  9. Performance of Gd-doped Ti-based Sb-SnO2 anodes for electrochemical destruction of phenol

    E-Print Network [OSTI]

    O2 anodes (Ti/SnO2-Sb), based on their electro-catalytic activities and organic oxidation rates (Ko Available online 24 October 2007 Abstract The performance of electrodes for the electro-catalytic the elec- tro-catalytic characteristics and stability of the electrodes. Some researchers have found

  10. Effects of O2 Concentration on the Rate and Selectivity in Oxidative Dehydrogenation of Ethane Catalyzed by Vanadium Oxide

    E-Print Network [OSTI]

    Iglesia, Enrique

    Effects of O2 Concentration on the Rate and Selectivity in Oxidative Dehydrogenation of Ethane monovanadates. Cofeed and staged-O2 introduction modes led to similar ethane dehydrogenation and combustion introduced gradually as ethane conversion increased. These effects reflect inhibition of homogeneous ethene

  11. TiO2 Polymer Nanocomposites In conjunction with Dr. Ashok Kumar in the Mechanical Engineering Department at

    E-Print Network [OSTI]

    Harmon, Julie P.

    TiO2 Polymer Nanocomposites In conjunction with Dr. Ashok Kumar in the Mechanical Engineering and Engineering, C 23, 737 (2003). 17. "Polymer-TiO2 Nanocomposites: A route Towards Visually Transparent Broadband UV filters and High Refractive Index Materials", Macromolecular Materials Engineering, 288, 44

  12. Chemically grown TiO2 on glass with superior photocatalytic properties G. Kenanakis a,b,

    E-Print Network [OSTI]

    : Titanium dioxide thin films Degussa P25 TiO2 Sol­gel technique Photocatalysis Stearic acid Methylene blue of photocatalysis for various applications such as water treatment, air purification and fuel cells [1­5]. TiO2

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

    E-Print Network [OSTI]

    Cao, Guozhong

    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

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

    E-Print Network [OSTI]

    Hutchinson, John W.

    Three-dimensional morphology evolution of SiO2 patterned films under MeV ion irradiation Kan OtaniO2 stripes on Si substrates induced by 3 MeV O++ ion irradiation. We develop a 3D constitutive evolution in complex three-dimensional structures under MeV ion irradiation. © 2006 American Institute

  15. Preparation and characterization of VOx/TiO2 catalytic coatings on stainless steel plates for structured catalytic reactors.

    E-Print Network [OSTI]

    Boyer, Edmond

    1 Preparation and characterization of VOx/TiO2 catalytic coatings on stainless steel plates are used in the mild oxidation of hydrocarbons and NOx abatement are studied. Stainless steel (316 L) was chosen because of its large application in industrial catalytic reactors. TiO2 films on stainless steel

  16. Laser diagnostics of pulverized coal combustion in O_2/N_2 and O_2/CO_2 conditions: velocity and scalar field measurements

    E-Print Network [OSTI]

    Balusamy, Saravanan; Kamal, M. Mustafa; Lowe, Steven M.; Tian, Bo; Gao, Yi; Hochgreb, Simone

    2015-05-13

    .com emissions (Metz et al. 2005; IEA 2012). Increasing demand for power, especially in developing countries, will lead to a further increase in CO2 emissions and other harmful pollutants. To address the problem, several carbon capture and storage (CCS... Cerrejon coal Proximate analysis wt% Volatile matter 34.80 Fixed carbon 50.80 Moisture 5.80 Ash 8.60 Ultimate analysis wt% Carbon 69.20 Hydrogen 4.40 Oxygen 9.98 Nitrogen 1.42 Sulfur 0.58 Sieve pitch (?m) Cum. mass% Mass% 500 100 10 210 90 28 150 62 12 75...

  17. Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies

    E-Print Network [OSTI]

    VanVeller, Brett

    The cyclization and planarization of polycyclic aromatic hydrocarbons with concomitant oxygen substitution was achieved through acid catalyzed transetherification and oxygen-radical reactions. The triptycene scaffold ...

  18. Engineering MulticomponentNanocatalystsfor Oxygen Reduction ...

    Office of Scientific and Technical Information (OSTI)

    Engineering MulticomponentNanocatalystsfor Oxygen Reduction Citation Details In-Document Search Title: Engineering MulticomponentNanocatalystsfor Oxygen Reduction Authors: Guo,...

  19. Oxygen exchange and transport in thin zirconia films on Si,,100... B. W. Busch, W. H. Schulte, E. Garfunkel, and T. Gustafsson

    E-Print Network [OSTI]

    Garfunkel, Eric

    Oxygen exchange and transport in thin zirconia films on Si,,100... B. W. Busch, W. H. Schulte, E 31 August 2000 The composition and atomic depth distributions of ultrathin zirconia films ( 30 Å diffusion of O in monoclinic and tetragonal zirconia, the diffusivity of O in SiO2

  20. A lithium oxygen secondary battery

    SciTech Connect (OSTI)

    Semkow, K.W.; Sammells, A.F.

    1987-08-01

    In principle the lithium-oxygen couple should provide one of the highest energy densities yet investigated for advanced battery systems. The problem to this time has been one of identifying strategies for achieving high electrochemical reversibilities at each electrode under conditions where one might anticipate to also achieve long materials lifetimes. This has been addressed in recent work by us via the application of stabilized zirconia oxygen vacancy conducting solid electrolytes, for the effective separation of respective half-cell reactions.

  1. Mechanism of Methane Chemical Looping Combustion with Hematite Promoted with CeO2

    SciTech Connect (OSTI)

    Miller, Duane D.; Siriwardane, Ranjani

    2013-08-01

    Chemical looping combustion (CLC) is a promising technology for fossil fuel combustion that produces sequestration-ready CO{sub 2} stream, reducing the energy penalty of CO{sub 2} separation from flue gases. An effective oxygen carrier for CLC will readily react with the fuel gas and will be reoxidized upon contact with oxygen. This study investigated the development of a CeO{sub 2}-promoted Fe{sub 2}O{sub 3}?hematite oxygen carrier suitable for the methane CLC process. Composition of CeO{sub 2} is between 5 and 25 wt % and is lower than what is generally used for supports in Fe{sub 2}O{sub 3} carrier preparations. The incorporation of CeO{sub 2} to the natural ore hematite strongly modifies the reduction behavior in comparison to that of CeO{sub 2} and hematite alone. Temperature-programmed reaction studies revealed that the addition of even 5 wt % CeO{sub 2} enhances the reaction capacity of the Fe{sub 2}O{sub 3} oxygen carrier by promoting the decomposition and partial oxidation of methane. Fixed-bed reactor data showed that the 5 wt % cerium oxides with 95 wt % iron oxide produce 2 times as much carbon dioxide in comparison to the sum of carbon dioxide produced when the oxides were tested separately. This effect is likely due to the reaction of CeO{sub 2} with methane forming intermediates, which are reactive for extracting oxygen from Fe{sub 2}O{sub 3} at a considerably faster rate than the rate of the direct reaction of Fe{sub 2}O{sub 3} with methane. These studies reveal that 5 wt % CeO{sub 2}/Fe{sub 2}O{sub 3} gives stable conversions over 15 reduction/oxidation cycles. Lab-scale reactor studies (pulsed mode) suggest the methane reacts initially with CeO{sub 2} lattice oxygen to form partial oxidation products (CO + H{sub 2}), which continue to react with oxygen from neighboring Fe{sub 2}O{sub 3}, leading to its complete oxidation to form CO{sub 2}. The reduced cerium oxide promotes the methane decomposition reaction to form C + H{sub 2}, which continue to react with Fe{sub 2}O{sub 3}/Fe{sub 3}O{sub 4} to form CO/CO{sub 2} and H{sub 2}O. This mechanism is supported by the characterization studies, which also suggest that the formation of carbonaceous intermediates may affect the reaction rate and selectivity of the oxygen carrier.

  2. Selectivity of chemisorbed oxygen in CH bond activation and CO oxidation and kinetic consequences for CH4O2 catalysis on Pt and Rh clusters

    E-Print Network [OSTI]

    Iglesia, Enrique

    Available online 12 August 2011 Keywords: CH4 Catalytic partial oxidation Methane combustion Platinum, thus confirming that direct catalytic partial oxidation of CH4 to CO (and H2) does not occur the sequential reforming steps. Ó 2011 Elsevier Inc. All rights reser

  3. Properties of reactive oxygen species by quantum Monte Carlo

    SciTech Connect (OSTI)

    Zen, Andrea; Trout, Bernhardt L.; Guidoni, Leonardo

    2014-07-07

    The electronic properties of the oxygen molecule, in its singlet and triplet states, and of many small oxygen-containing radicals and anions have important roles in different fields of chemistry, biology, and atmospheric science. Nevertheless, the electronic structure of such species is a challenge for ab initio computational approaches because of the difficulties to correctly describe the statical and dynamical correlation effects in presence of one or more unpaired electrons. Only the highest-level quantum chemical approaches can yield reliable characterizations of their molecular properties, such as binding energies, equilibrium structures, molecular vibrations, charge distribution, and polarizabilities. In this work we use the variational Monte Carlo (VMC) and the lattice regularized Monte Carlo (LRDMC) methods to investigate the equilibrium geometries and molecular properties of oxygen and oxygen reactive species. Quantum Monte Carlo methods are used in combination with the Jastrow Antisymmetrized Geminal Power (JAGP) wave function ansatz, which has been recently shown to effectively describe the statical and dynamical correlation of different molecular systems. In particular, we have studied the oxygen molecule, the superoxide anion, the nitric oxide radical and anion, the hydroxyl and hydroperoxyl radicals and their corresponding anions, and the hydrotrioxyl radical. Overall, the methodology was able to correctly describe the geometrical and electronic properties of these systems, through compact but fully-optimised basis sets and with a computational cost which scales as N{sup 3} ? N{sup 4}, where N is the number of electrons. This work is therefore opening the way to the accurate study of the energetics and of the reactivity of large and complex oxygen species by first principles.

  4. Effect of Coadsorbed Water on the Photodecomposition of Acetone on TiO2(110)

    SciTech Connect (OSTI)

    Henderson, Michael A.

    2008-06-10

    The influence of coadsorbed water on the photodecomposition of acetone on TiO2 was examined using temperature programmed desorption (TPD) and the rutile TiO2(110) surface as a model photocatalyst. Of the two major influences ascribed to water in the heterogeneous photocatalysis literature (promotion via OH radical supply and inhibition due to site blocking), only the negative influence of water was observed. As long as the total water and acetone coverage was maintained well below the first layer saturation coverage (‘1 ML’), little inhibition of acetone photodecomposition was observed. However, as the total water+acetone coverage exceeded 1 ML, acetone was preferentially displaced from the first layer to physisorbed states by water and the extent of acetone photodecomposition attenuated. The displacement originated from water compressing acetone into high coverage regions where increased acetone-acetone repulsions caused displacement from the first layer. The immediate product of acetone photodecomposition was adsorbed acetate, which occupies twice as many surface sites per molecule as compared to acetone. Since the acetate intermediate was more stable on the TiO2(110) surface than either water or acetone (as gauged by TPD) and since its photodecomposition rate was less than that of acetone, additional surface sites were not opened up during acetone photodecomposition for previously displaced acetone molecules to re-enter the first layer. Results in this study suggest that increased molecular-level repulsions between organic molecules brought about by increased water coverage are as influential in the inhibiting effect of water on photooxidation rates as are water-organic repulsions.

  5. Atmospheric Neutrino Fluxes

    E-Print Network [OSTI]

    Thomas K. Gaisser

    2005-02-18

    Starting with an historical review, I summarize the status of calculations of the flux of atmospheric neutrinos and how they compare to measurements.

  6. EVALUATING AN INNOVATIVE OXYGEN SENSOR FOR REMOTE SUBSURFACE OXYGEN MEASUREMENTS

    SciTech Connect (OSTI)

    Millings, M; Brian Riha, B; Warren Hyde, W; Karen Vangelas, K; Brian02 Looney, B

    2006-10-12

    Oxygen is a primary indicator of whether anaerobic reductive dechlorination and similar redox based processes contribute to natural attenuation remedies at chlorinated solvent contaminated sites. Thus, oxygen is a viable indicator parameter for documenting that a system is being sustained in an anaerobic condition. A team of researchers investigated the adaptation of an optical sensor that was developed for oceanographic applications. The optical sensor, because of its design and operating principle, has potential for extended deployment and sensitivity at the low oxygen levels relevant to natural attenuation. The results of the research indicate this tool will be useful for in situ long-term monitoring applications, but that the traditional characterization tools continue to be appropriate for characterization activities.

  7. Growth Kinetics and Modeling of Direct Oxynitride Growth with NO-O2 Gas Mixtures

    SciTech Connect (OSTI)

    Everist, Sarah; Nelson, Jerry; Sharangpani, Rahul; Smith, Paul Martin; Tay, Sing-Pin; Thakur, Randhir

    1999-05-03

    We have modeled growth kinetics of oxynitrides grown in NO-O2 gas mixtures from first principles using modified Deal-Grove equations. Retardation of oxygen diffusion through the nitrided dielectric was assumed to be the dominant growth-limiting step. The model was validated against experimentally obtained curves with good agreement. Excellent uniformity, which exceeded expected walues, was observed.

  8. Europium-Doped TiO2 Hollow Nanoshells: Two-Photon Imaging of Cell Binding

    E-Print Network [OSTI]

    Kummel, Andrew C.

    free for functionalization and the core free for payload encapsulation. Amine and holes are produced. These electrons and holes can react with hydroxyl ions or water to produce reactive hydroxyl radicals ·OH and perhydroxyl radicals HO2·. These oxygen species are also highly reactive

  9. Phases in ceria-zirconia binary oxide (1-x)CeO2-xZrO2 nanoparticles: the size effects

    SciTech Connect (OSTI)

    Zhang,F.; Chen, C.; Hanson, J.; Herman, I.; Chan, S.

    2006-01-01

    The phases of ceria-zirconia nanoparticles observed in air are studied as a function of particle size and composition by X-ray diffraction, transmission electron microscopy, and Raman spectroscopy. The emergence of two tetragonal phases t{prime}{prime} and t monotonically moves toward higher zirconia concentrations with decreasing particle size. A smaller particle size increases the solubility of zirconia in cubic ceria, while higher zirconia content in ceria stabilizes against coarsening. In particular, the cubic Ce{sub 1-x}Zr{sub x}O{sub 2-y} is persistent and is 8% in phase amount even at 90% zirconia with 33 nm crystal size. Neither the monoclinic phase m nor the tetragonal phase t{prime} is observed in the present nanoparticles (<40 nm). The effectiveness of these nanoparticles as oxygen source-and-sink in catalytic support is largely due to the persistence of the cubic and the t{prime}{prime} phases.

  10. Atomic oxygen patterning from a biomedical needle-plasma source

    SciTech Connect (OSTI)

    Kelly, Seán; Turner, Miles M.

    2013-09-28

    A “plasma needle” is a cold plasma source operating at atmospheric pressure. Such sources interact strongly with living cells, but experimental studies on bacterial samples show that this interaction has a surprising pattern resulting in circular or annular killing structures. This paper presents numerical simulations showing that this pattern occurs because biologically active reactive oxygen and nitrogen species are produced dominantly where effluent from the plasma needle interacts with ambient air. A novel solution strategy is utilised coupling plasma produced neutral (uncharged) reactive species to the gas dynamics solving for steady state profiles at the treated biological surface. Numerical results are compared with experimental reports corroborating evidence for atomic oxygen as a key bactericidal species. Surface losses are considered for interaction of plasma produced reactants with reactive solid and liquid interfaces. Atomic oxygen surface reactions on a reactive solid surface with adsorption probabilities above 0.1 are shown to be limited by the flux of atomic oxygen from the plasma. Interaction of the source with an aqueous surface showed hydrogen peroxide as the dominant species at this interface.

  11. High-temperature potentiometric oxygen sensor with internal reference

    DOE Patents [OSTI]

    Routbort, Jules L. (Hinsdale, IL); Singh, Dileep (Naperville, IL); Dutta, Prabir K. (Worthington, OH); Ramasamy, Ramamoorthy (North Royalton, OH); Spirig, John V. (Columbus, OH); Akbar, Sheikh (Hilliard, OH)

    2011-11-15

    A compact oxygen sensor is provided, comprising a mixture of metal and metal oxide an enclosure containing said mixture, said enclosure capable of isolating said mixture from an environment external of said enclosure, and a first wire having a first end residing within the enclosure and having a second end exposed to the environment. Also provided is a method for the fabrication of an oxygen sensor, the method comprising confining a metal-metal oxide solid mixture to a container which consists of a single material permeable to oxygen ions, supplying an electrical conductor having a first end and a second end, whereby the first end resides inside the container as a reference (PO.sub.2).sup.ref, and the second end resides outside the container in the atmosphere where oxygen partial pressure (PO.sub.2).sup.ext is to be measured, and sealing the container with additional single material such that grain boundary sliding occurs between grains of the single material and grains of the additional single material.

  12. Inhibition of ERK Oscillations by Ionizing Radiation and Reactive Oxygen Species

    SciTech Connect (OSTI)

    Shankaran, Harish; Chrisler, William B.; Sontag, Ryan L.; Weber, Thomas J.

    2010-12-28

    The shuttling of activated protein kinases between the cytoplasm and nucleus is an essential feature of normal growth factor signaling cascades. Here we demonstrate that transforming growth factor alpha (TGF?) induces oscillations in extracellular signal regulated kinase (ERK) cytoplasmic-nuclear translocations in human keratinocytes. TGF?-dependent ERK oscillations mediated through the epidermal growth factor receptor (EGFR) are inhibited by low dose X-irradiation (10?cGy) and low concentrations of hydrogen peroxide (0.32–3.26?µM H2O2) used as a model reactive oxygen species (ROS). A fluorescent indicator dye (H2-DCFDA) was used to measure cellular ROS levels following X-irradiation, 12-O-tetradecanoyl phorbol-13-acetate (TPA) and H2O2. X-irradiation did not generate significant ROS production while 0.32?µM H2O2 and TPA induced significant increases in ROS levels with H2O2? >?TPA. TPA alone induced transactivation of the EGFR but did not induce ERK oscillations. TPA as a cotreatment did not inhibit TGF?-stimulated ERK oscillations but qualitatively altered TGF?-dependent ERK oscillation characteristics (amplitude, time-period). Collectively, these observations demonstrate that TGF?-induced ERK oscillations are inhibited by ionizing radiation/ROS and perturbed by epigenetic carcinogen in human keratinocytes. © 2010 Wiley-Liss, Inc.

  13. CLIMATICALLY-ACTIVE GASES IN THE EASTERN BOUNDARY UPWELLING AND OXYGEN MINIMUM ZONE (OMZ) SYSTEMS

    E-Print Network [OSTI]

    Garbe, Christoph S.

    . In this contribution we introduce Index Terms-- Air-Sea Interactions, Fluxes, Green House Gases, Satellite Retrieval) contribute very significantly to the gas exchange between the ocean and the atmosphere, notably with respect (Oxygen Minimum Zone) contribute very significantly to the gas exchange between the ocean

  14. Low energy consumption method for separating gaseous mixtures and in particular for medium purity oxygen production

    DOE Patents [OSTI]

    Jujasz, Albert J. (North Olmsted, OH); Burkhart, James A. (Olmsted Falls, OH); Greenberg, Ralph (New York, NY)

    1988-01-01

    A method for the separation of gaseous mixtures such as air and for producing medium purity oxygen, comprising compressing the gaseous mixture in a first compressor to about 3.9-4.1 atmospheres pressure, passing said compressed gaseous mixture in heat exchange relationship with sub-ambient temperature gaseous nitrogen, dividing the cooled, pressurized gaseous mixture into first and second streams, introducing the first stream into the high pressure chamber of a double rectification column, separating the gaseous mixture in the rectification column into a liquid oxygen-enriched stream and a gaseous nitrogen stream and supplying the gaseous nitrogen stream for cooling the compressed gaseous mixture, removing the liquid oxygen-enriched stream from the low pressure chamber of the rectification column and pumping the liquid, oxygen-enriched steam to a predetermined pressure, cooling the second stream, condensing the cooled second stream and evaporating the oxygen-enriched stream in an evaporator-condenser, delivering the condensed second stream to the high pressure chamber of the rectification column, and heating the oxygen-enriched stream and blending the oxygen-enriched stream with a compressed blend-air stream to the desired oxygen concentration.

  15. Redox Active Layer-by-Layer Structures containing MnO2 Nanoparticles

    SciTech Connect (OSTI)

    Bazito, Fernanda; O'Brien, Robert; Buttry, Daniel A.

    2005-02-01

    Nanoscale materials provide unique properties that will enable new technologies and enhance older ones. One area of intense activity in which nanoscale materials are being used is in the development of new functional materials for battery applications. This effort promises superior materials with properties that circumvent many of the problems associated with traditional battery materials. Previously we have worked on several approaches for using nanoscale materials for application as cathode materials in rechargeable Li batteries. Our recent work has focused on synthesizing MnO2 nanoparticles and using these in layer-by-layer (LbL) structures to probe the redox properties of the nanoparticles. We show that the aqueous colloidal nanoparticles produced by butanol reduction of tetramethylammonium permanganate can be trapped in thin films using a layer-by-layer deposition approach, and that these films are both redox active and exhibit kinetically facile electrochemical responses. We show cyclic voltammetry of MnO2 colloidal nanoparticles entrapped in a LbL thin film at an ITO electrode surface using poly(diallyldimethylammonium chloride) (PDDA). CV experiments demonstrate that Li+ insertion accompanies Mn(IV) reduction in LiClO4 supporting electrolytes, and that reduction is hindered in supporting electrolytes containing only tetrabutylammonium cations. We also show that electron propagation through multilayer films is facile, suggesting that electrons percolate through the films via electron exchange between nanoparticles.

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

    SciTech Connect (OSTI)

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

    2014-10-28

    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

  17. On the consistency of QCBED structure factor measurements for TiO2 (Rutile)

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

    Jiang, Bin; Zuo, Jian -Min; Friis, Jesper; Spence, John C. H.

    2003-09-16

    The same Bragg reflection in TiO2 from twelve different CBED patterns (from different crystals, orientations and thicknesses) are analysed quantitatively in order to evaluate the consistency of the QCBED method for bond-charge mapping. The standard deviation in the resulting distribution of derived X-ray structure factors is found to be an order of magnitude smaller than that in conventional X-ray work, and the standard error (0.026% for FX(110)) is slightly better than obtained by the X-ray Pendellosung method applied to silicon. This is sufficiently accuracy to distinguish between atomic, covalent and ionic models of bonding. We describe the importance of extractingmore »experimental parameters from CCD camera characterization, and of surface oxidation and crystal shape. Thus, the current experiments show that the QCBED method is now a robust and powerful tool for low order structure factor measurement, which does not suffer from the large extinction (multiple scattering) errors which occur in inorganic X-ray crystallography, and may be applied to nanocrystals. Our results will be used to understand the role of d electrons in the chemical bonding of TiO2.« less

  18. New Insights into Reaction Mechanisms of Ethanol Steam Reforming on Co-ZrO2

    SciTech Connect (OSTI)

    Sun, Junming; Karim, Ayman M.; Mei, Donghai; Engelhard, Mark H.; Bao, Xinhe; Wang, Yong

    2015-01-01

    The reaction pathway of ethanol steam reforming on Co-ZrO2 has been identified and the active sites associated with each step are proposed. Ethanol is converted to acetaldehyde and then to acetone, followed by acetone steam reforming. More than 90% carbon was found to follow this reaction pathway. N2-Sorption, X-ray Diffraction (XRD), Temperature Programmed Reduction (TPR), in situ X-ray Photoelectron Spectroscopy (XPS), Transmission Electron Microscopy, as well as theoretical Density Functional Theory (DFT) calculations have been employed to identify the structure and functionality of the catalysts, which was further used to correlate their performance in ESR. It was found that metallic cobalt is mainly responsible for the acetone steam reforming reactions; while, CoO and basic sites on the support play a key role in converting ethanol to acetone via dehydrogenation and condensation/ketonization reaction pathways. The current work provides fundamental understanding of the ethanol steam reforming reaction mechanisms on Co-ZrO2 catalysts and sheds light on the rational design of selective and durable ethanol steam reforming catalysts.

  19. Electrolyte Concentration Effect of a Photoelectrochemical Cell Consisting of TiO 2 Nanotube Anode

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

    Ren, Kai; Gan, Yong X.; Nikolaidis, Efstratios; Sofyani, Sharaf Al; Zhang, Lihua

    2013-01-01

    The photoelectrochemical responses of a TiO 2 nanotube anode in ethylene glycol (EG), glycerol, ammonia, ethanol, urea, and Na 2 S electrolytes with different concentrations were investigated. The TiO 2 nanotube anode was highly efficient in photoelectrocatalysis in these solutions under UV light illumination. The photocurrent density is obviously affected by the concentration change. Na 2 S generated the highest photocurrent density at 0, 1, and 2?V bias voltages, but its concentration does not significantly affect the photocurrent density. Urea shows high open circuit voltage at proper concentration and low photocurrent at different concentrations. Externally applied bias voltage ismore »also an important factor that changes the photoelectrochemical reaction process. In view of the open circuit voltage, EG, ammonia, and ethanol fuel cells show the trend that the open circuit voltage (OCV) increases with the increase of the concentration of the solutions. Glycerol has the highest OCV compared with others, and it deceases with the increase in the concentration because of the high viscosity. The OCV of the urea and Na 2 S solutions did not show obvious concentration effect. « less

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

    SciTech Connect (OSTI)

    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

    2010-11-18

    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.

  1. On the Consistency of QCBED Structure Factor Measurements for TiO2 (Rutile)

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

    Jiang, Bin; Zuo, Jian-Min; Friis, Jesper; Spence, John C.H.

    2003-09-16

    The same Bragg reflection in TiO2 from twelve different CBED patterns (from different crystals, orientations and thicknesses) are analysed quantitatively in order to evaluate the consistency of the QCBED method for bond-charge mapping. The standard deviation in the resulting distribution of derived X-ray structure factors is found to be an order of magnitude smaller than that in conventional X-ray work , and the standard error (0.026% for FX(110)) is slightly better than obtained by the X-ray Pendellosung method applied to silicon. This is sufficiently accuracy to distinguish between atomic, covalent and ionic models of bonding. We describe the importance of extracting experimental parameters from CCD camera characterization, and of surface oxidation and crystal shape. The current experiments show that the QCBED method is now a robust and powerful tool for low order structure factor measurement, which does not suffer from the large extinction (multiple scattering) errors which occur in inorganic X-ray crystallography, and may be applied to nanocrystals. Our results will be used to understand the role of d electrons in the chemical bonding of TiO2.

  2. Effect of SiO2 coating in bolometric Ge light detectors for rare event searches

    E-Print Network [OSTI]

    J. W. Beeman; A. Gentils; A. Giuliani; M. Mancuso; G. Pessina; O. Plantevin; C. Rusconi

    2012-12-01

    In germanium-based light detectors for scintillating bolometers, a SiO$_2$ anti-reflective coating is often applied on the side of the germanium wafer exposed to light with the aim to improve its light collection efficiency. In this paper, we report about a measurement, performed in the temperature range 25-35 mK, of the light-collection increase obtained thanks to this method, which resulted to be of the order of 20%. The procedure followed has been carefully selected in order to minimize systematic effects. The employed light sources have the same spectral features (peaking at $\\sim 630$ nm wavelength) that will characterise future neutrinoless double beta decay experiments on the isotope $^{82}$Se and based on ZnSe crystals, such as LUCIFER. The coupling between source and light detector reproduces the configuration used in scintillating bolometers. The present measurement clarifies the role of SiO$_2$ coating and describes a method and a set-up that can be extended to the study of other types of coatings and luminescent materials.

  3. Oceanography and Atmospheric Sciences

    E-Print Network [OSTI]

    Kurapov, Alexander

    Oceanography and Atmospheric Sciences 1959­2009 WayneBurt. #12;Oceanography and Atmospheric in Oceanography (TENOC). Wayne Burt immediately responds with proposal to President Strand of Oregon State College to start a graduate Department of Oceanography. 1959 Oregon State Board of Higher Education approves

  4. Oxygen uptake of benthic systems 

    E-Print Network [OSTI]

    Priebe, William Franklin

    1972-01-01

    mg/hr/sq m between standard and maximum mixing. Hanes and Irvine (23) made a determination of the effects of temperature on quiescent oxygen uptake rates by covering sludge with aerated water and allowing the supernatant to be totally de- pleted.... ECTROLTSIS STSTDI FOA MEMURIRC BOO. FIGURE 2. SWITCH ELECTROQE IN CONTACT WITH ELECTROIYTE. OXYGEN GENERATOR OFF. FIGURE 3. SWIICH ELECI'RODE NOT IN CONTACT' WITH -' ECTROLYTE. 0 0 0 a 0 0 0 ~ O0 0 o 0 0 o o 0 0 0 0 PIERRE A. HIGH SPEED NIXINC...

  5. A three-dimensional Macroporous Cu/SnO2 composite anode sheet prepared via a novel method

    SciTech Connect (OSTI)

    Xu, Wu; Canfield, Nathan L.; Wang, Deyu; Xiao, Jie; Nie, Zimin; Zhang, Jiguang

    2010-11-01

    Macroporous Cu/SnO2 composite anode sheets were prepared by a novel method which is based on slurry blending, tape casting, sintering, and reducing of metal oxides. Such composite Cu/SnO2 anode sheets have no conducting carbons and binders, and show improved discharge capacity and cycle life than the SnO2 electrode from conventional tape-casting method on Cu foil. This methodology produces limited wastes and is also adaptable to many other materials. It is easy for industrial scale production. With the optimization of particle size of the metal oxide, pore size, pore volume and other factors, this kind of macroporous Cu/SnO2 composite anode sheets could give significantly improved capacity and cycle life.

  6. Preferred Molecular Orientation of Coumarin 343 on TiO2 Surfaces: Application to Dye-Sensitized Solar Cells

    E-Print Network [OSTI]

    McCree-Grey, Jonathan; Cole, Jacqueline Manina; Evans, Peter

    2015-07-23

    The dye…TiO2 interfacial structure in working electrodes of dye-sensitized solar cells (DSCs) is known to influence its photovoltaic device performance. Despite this, direct and quantitative reports of such structure remain sparse. This case study...

  7. Vehicle Technologies Office Merit Review 2015: Efficient Rechargeable Li/O2 Batteries Utilizing Stable Inorganic Molten Salt Electrolytes

    Office of Energy Efficiency and Renewable Energy (EERE)

    Presentation given by Liox at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about efficient rechargeable Li/O2 batteries...

  8. Phonon-energy-coupling enhancement: Strengthening the chemical bonds of the SiO2/Si system

    E-Print Network [OSTI]

    Chen, Zhi

    Phonon-energy-coupling enhancement: Strengthening the chemical bonds of the SiO2/Si system Zhi Chena and Jun Guo Department of Electrical and Computer Engineering and Center for Nanoscale Science

  9. Tuning the oxide/organic interface: Benzene on SnO2,,101... Matthias Batzill,a)

    E-Print Network [OSTI]

    Diebold, Ulrike

    Tuning the oxide/organic interface: Benzene on SnO2,,101... Matthias Batzill,a) Khabibulakh Katsiev,16 As a model molecule for simulating an organic semiconductor film benzene was chosen as a simple -conjugated

  10. Understanding the Nucleation and Growth of Metals on TiO2: Co Compared to Au, Ni, and Pt

    E-Print Network [OSTI]

    Henkelman, Graeme

    The Co-TiO2 system has also been used for other industrially relevant catalytic processes, including the steam reforming of ethanol,24 preferential oxidation of CO in hydrogen,25 and oxidative dehydrogenation

  11. Two-stage epitaxial growth of vertically-aligned SnO2 nano-rods on (001) ceria

    SciTech Connect (OSTI)

    Solovyov, VF; Wu, LJ; Rupich, MW; Sathyamurthy, S; Li, XP; Li, Q

    2014-12-15

    Growth of high-aspect ratio oriented tin oxide, SnO2, nano-rods is complicated by a limited choice of matching substrates. We show that a (001) cerium oxide, CeO2, surface uniquely enables epitaxial growth of tin-oxide nano-rods via a two-stage process. First, (100) oriented nano-wires coat the ceria surface by lateral growth, forming a uniaxially-textured SnO2 deposit. Second, vertical SnO2 nano-rods nucleate on the deposit by homoepitaxy. We demonstrate growth of vertically oriented 1-2 mu m long nano-rods with an average diameter of approximate to 20 nm. 2014 Elsevier B.V. All rights reserved.

  12. THE JOURNAL OF CHEMICAL PHYSICS 135, 104303 (2011) The visible spectrum of zirconium dioxide, ZrO2

    E-Print Network [OSTI]

    Maier, John Paul

    2011-01-01

    THE JOURNAL OF CHEMICAL PHYSICS 135, 104303 (2011) The visible spectrum of zirconium dioxide, ZrO2; published online 8 September 2011) The electronic spectrum of a cold molecular beam of zirconium dioxide, Zr

  13. Coexistence of different charge states in Ta-doped monoclinic HfO2: Theoretical and experimental approaches

    E-Print Network [OSTI]

    Svane, Axel Torstein

    and with the addition of small amounts of impurities, it has applications ranging from solid oxide fuel cell attention due to its potential technological applications. HfO2 is a wide-band- gap semiconductor

  14. Studies of NafionRuO2xH2O Composite Membranes Catherine Lepiller,a

    E-Print Network [OSTI]

    Hitchcock, Adam P.

    prepared by the recast method. The hydration level of RuO2·xH2O was varied by heat-dispersive X-ray analysis and scanning X-ray transmission microscopy that both show the presence of a thin layer 5 m of RuO2·xH2O on one side of the membrane. Scanning transmission X-ray microscopy also reveals

  15. Enhanced Visible Light Photocatalytic Activity for TiO2 Nanotube Array Films by Codoping with Tungsten and Nitrogen

    E-Print Network [OSTI]

    Zhang, Min; Lu, DanDan; Yang, Jianjun

    2013-01-01

    A series of W, N codoped TiO2 nanotube arrays with different dopant contents were fabricated by anodizing in association with hydrothermal treatment. The samples were characterized by scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and ultraviolet-visible light diffuse reflection spectroscopy. Moreover, the photocatalytic activity of W and N codoped TiO2 nanotube arrays was evaluated by degradation of methylene blue under visible light irradiation.

  16. In Situ Time-Resolved Characterization of Ni-MoO2 Catalysts for the Water-Gas Shift Reaction

    SciTech Connect (OSTI)

    Wen,W.; Calderon, J.; Brito, J.; Marinkovic, N.; Hanson, J.; Rodriquez, J.

    2008-01-01

    Active catalysts for the water-gas shift (WGS, CO + H2O ? H2 + CO2) reaction were synthesized from nickel molybdates ({beta}-NiMoO4 and nH2O{center_dot}NiMoO4) as precursors, and their structural transformations were monitored using in situ time-resolved X-ray diffraction and X-ray absorption near-edge spectroscopy. In general, the nickel molybdates were not stable and underwent partial reduction in the presence of CO or CO/H2O mixtures at high temperatures. The interaction of {beta}-NiMoO4 with the WGS reactants at 500 C led to the formation of a mixture of Ni (24 nm particle size) and MoO2 (10 nm particle size). These Ni-MoO2 systems displayed good catalytic activity at 350, 400, and 500 C. At 350 and 400 C, catalytic tests revealed that the Ni-MoO2 system was much more active than isolated Ni (some activity) or isolated MoO2 (negligible activity). Thus, cooperative interactions between the admetal and oxide support were probably responsible for the high WGS activity of Ni-MoO2. In a second synthetic approach, the NiMoO4 hydrate was reduced to a mixture of metallic Ni, NiO, and amorphous molybdenum oxide by direct reaction with H2 gas at 350 C. In the first pass of the water-gas shift reaction, MoO2 appeared gradually at 500 C with a concurrent increase of the catalytic activity. For these catalysts, the particle size of Ni (4 nm) was much smaller than that of the MoO2 (13 nm). These systems were found to be much more active WGS catalysts than Cu-MoO2, which in turn is superior to commercial low-temperature Cu-ZnO catalysts.

  17. Radiation induced cavity formation and gold precipitation at the interfaces of a ZrO2/SiO2/Si heterostructure

    SciTech Connect (OSTI)

    Edmondson, Philip D; Wang, Chongmin; Zhu, Zihua; Namavar, Fereydoon; Weber, William J; Zhang, Yanwen

    2011-01-01

    Thin films nano-crystalline zirconia of ~ 300 nm thick were deposited on Si substrate, and the samples were irradiated with 2 MeV Au+ ions at temperatures of 160 and 400 K, up to fluences of 35 displacements per atom. The films were then studied using glancing incidence x-ray diffraction, Rutherford backscattering, secondary ion mass spectroscopy and transmission electron microscopy. During the irradiation, cavities were observed to form at the zirconia/silicon interface. The morphology of the cavities was found to be related to the damage state of the underlying Si substrate. Elongated cavities were observed when the substrate is heavily damaged but not amorphized; however, when the substrate is rendered amorphous, the cavities become spherical. As the ion dose increases, the cavities then act as efficient gettering sites for the Au. The concentration of oxygen within the cavities determines the order in which the cavities getter. Following complete filling of the cavities, the interface acts as the secondary gettering site for the Au. The Au precipitates are determined to be elemental in nature due to the high binding free energy for the formation of Au-silicides.

  18. Electrochemically synthesized ordered TiO2 and platinum nanocomposite electrode: preparation, characterization, and application to photoelectrocatalytic methanol oxidation

    SciTech Connect (OSTI)

    Li, Zhizhou; Cui, Xiaoli; Lin, Yuehe

    2009-04-01

    In this work, the nanocomposite electrodes consisting of Pt and TiO2 nanotubular arrays have been synthesized, and the morphologies, structural, and photo-electrochemical properties of the electrodes are characterized by SEM, XRD, and electrochemical methods. Highly ordered TiO2 nanotubular arrays can be obtained through anodization of titanium. The platinum nanoparticles are electrodeposited into TiO2 nanotubes by a chronopotentiometry method. Cyclic voltammetry and XRD measurements can confirm the presence of platinum in this nanocomposite electrode. The nanostructural electrode greatly improved performances for methanol oxidation under UV-Vis illumination compared to that without illumination. An enhancement of 58% in the current density has been observed upon illumination with UV-Vis light irradiance at an intensity of 50 mW/cm2. The improved performance of the TiO2/Pt nanocomposite electrode results from a enhanced methanol oxidation by photo-generated holes in the TiO2 nanoarrays under illumination and a synergistic effectiveness between TiO2 and Pt nanoparticles.

  19. Ensemble Atmospheric Dispersion Modeling

    SciTech Connect (OSTI)

    Addis, R.P.

    2002-06-24

    Prognostic atmospheric dispersion models are used to generate consequence assessments, which assist decision-makers in the event of a release from a nuclear facility. Differences in the forecast wind fields generated by various meteorological agencies, differences in the transport and diffusion models, as well as differences in the way these models treat the release source term, result in differences in the resulting plumes. Even dispersion models using the same wind fields may produce substantially different plumes. This talk will address how ensemble techniques may be used to enable atmospheric modelers to provide decision-makers with a more realistic understanding of how both the atmosphere and the models behave.

  20. Specific heat and energy for the three-dimensional O(2) model

    E-Print Network [OSTI]

    S. Holtmann; J. Engels; T. Schulze

    2001-09-19

    We investigate the three-dimensional O(2) model on lattices of size 8^3 to 160^3 close to the critical point at zero magnetic field. We confirm explicitly the value of the critical coupling J_c found by Ballesteros et al. and estimate there the universal values of g_r and xi/L. At the critical point we study the finite size dependencies of the energy density epsilon and the specific heat C. We find that the nonsingular part of the specific heat C_{ns} is linearly dependent on 1/alpha. From the critical behaviour of the specific heat for T not T_c on the largest lattices we determine the universal amplitude ratio A+/A-. The alpha- dependence of this ratio is close to the phenomenological relation A+/A- = 1-4alpha.

  1. Nanoscale Laser-Induced Spallation in SiO2 Films Containing Gold Nanoparticles

    SciTech Connect (OSTI)

    Kudryashov, S.I.; Allen, S.D.; Papernov, S.; Schmid, A.W.

    2006-02-16

    A phenomenological theory of ultraviolet pulsed-laser-induced spallation is proposed to interpret crater formation in SiO2 thin films containing absorbing 18.5-nm gold particles. The theory considers a spherical thermoacoustic stress wave propagating from a thermal source produced by laser-energy absorption inside the particle and surrounding ionized volume. Calculations show that the tensile stress associated with such an acoustic wave may exceed the local strength of the material and cause fracture and spallation of the top film portion. The theory provides an explanation of the experimentally observed complex (two-cone) shape of craters formed in the film with particle-lodging depth exceeding 110 nm. Theoretical estimates for the threshold stress amplitude and peak temperature in the thermal source are in qualitative agreement with the experimental observations.

  2. Nucleation and Growth of Crystalline Grains in RF-Sputtered TiO2Films

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

    Johnson, J. C.; Ahrenkiel, S. P.; Dutta, P.; Bommisetty, V. R.

    2009-01-01

    AmorphousTiO2thin films were radio frequency sputtered onto siliconmonoxide and carbon support films on molybdenum transmission electron microscope (TEM) grids and observed during in situ annealing in a TEM heating stage at250?C. The evolution of crystallization is consistent with a classical model of homogeneous nucleation and isotropic grain growth. The two-dimensional grain morphology of the TEM foil allowed straightforward recognition of amorphous and crystallized regions of the films, for measurement of crystalline volume fraction and grain number density. By assuming that the kinetic parameters remain constant beyond the onset of crystallization, the final average grain size was computed, using an analyticalmore »extrapolation to the fully crystallized state. Electron diffraction reveals a predominance of the anatase crystallographic phase.« less

  3. Specific heat and energy for the three-dimensional O(2) model

    E-Print Network [OSTI]

    Holtmann, S; Schulze, T

    2002-01-01

    We investigate the three-dimensional O(2) model on lattices of size 8^3 to 160^3 close to the critical point at zero magnetic field. We confirm explicitly the value of the critical coupling J_c found by Ballesteros et al. and estimate there the universal values of g_r and xi/L. At the critical point we study the finite size dependencies of the energy density epsilon and the specific heat C. We find that the nonsingular part of the specific heat C_{ns} is linearly dependent on 1/alpha. From the critical behaviour of the specific heat for T not T_c on the largest lattices we determine the universal amplitude ratio A+/A-. The alpha- dependence of this ratio is close to the phenomenological relation A+/A- = 1-4alpha.

  4. Nucleation and Growth of Crystalline Grains in RF-Sputtered TiO 2 Films

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

    Johnson, J. C.; Ahrenkiel, S. P.; Dutta, P.; Bommisetty, V. R.

    2009-01-01

    Amorphous TiO 2 thin films were radio frequency sputtered onto siliconmonoxide and carbon support films on molybdenum transmission electron microscope (TEM) grids and observed during in situ annealing in a TEM heating stage at 250 ? C. The evolution of crystallization is consistent with a classical model of homogeneous nucleation and isotropic grain growth. The two-dimensional grain morphology of the TEM foil allowed straightforward recognition of amorphous and crystallized regions of the films, for measurement of crystalline volume fraction and grain number density.more »By assuming that the kinetic parameters remain constant beyond the onset of crystallization, the final average grain size was computed, using an analytical extrapolation to the fully crystallized state. Electron diffraction reveals a predominance of the anatase crystallographic phase. « less

  5. Monte Carlo simulation of O(2) phi^4 field theory in three dimensions

    E-Print Network [OSTI]

    Peter Arnold; Guy D. Moore

    2003-07-24

    Using standard numerical Monte Carlo lattice methods, we study non-universal properties of the phase transition of three-dimensional phi^4 theory of a 2-component real field phi = (phi_1,phi_2) with O(2) symmetry. Specifically, we extract the renormalized values of /u and r/u^2 at the phase transition, where the continuum action of the theory is \\int d^3x [ (1/2) |\\grad\\phi|^2 + \\half r \\phi^2 + {u\\over4!} \\phi^4 ]. These values have applications to calculating the phase transition temperature of dilute or weakly-interacting Bose gases (both relativistic and non-relativistic). In passing, we also provide perturbative calculations of various O(a) lattice-spacing errors in three-dimensional O(N) scalar field theory, where (a) is the lattice spacing.

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

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

    Berardo, Enrico; Hu, Han -Shi; van Dam, Hubertus J. J.; Shevlin, Stephen A.; Woodley, Scott M.; Kowalski, Karol; Zwijnenburg, Martijn A.

    2014-02-26

    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 themore »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. In conclusion, 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.« less

  7. Growth and structure of water on SiO2 films on Si investigated by Kelvin probe microscopy and in situ X-ray Spectroscopies

    E-Print Network [OSTI]

    Verdaguer, A.; Weis, C.; Oncins, G.; Ketteler, G.; Bluhm, H.; Salmeron, M.

    2008-01-01

    Growth and Structure of water on SiO 2 films on Simbsalmeron@lbl.gov The growth of water on thin SiO 2 films75% relative humidity (RH) water adsorbs forming a uniform

  8. Toxicity of atmospheric aerosols on marine phytoplankton

    E-Print Network [OSTI]

    2009-01-01

    address: Center for Atmospheric Chemistry Study, Departmenttween phytoplankton, atmospheric chemistry, and climate areno. 12 ? 4601– 4605 CHEMISTRY Atmospheric aerosol deposition

  9. Quantitative infrared absorption cross sections of isoprene for atmospheric measurements

    SciTech Connect (OSTI)

    Brauer, Carolyn S.; Blake, Thomas A.; Guenther, Alex B.; Sharpe, Steven W.; Sams, Robert L.; Johnson, Timothy J.

    2014-11-19

    The OH- and O3- initiated oxidations of isoprene, which is one of the primary volatile organic compounds produced by vegetation, are a major source of atmospheric formaldehyde and other oxygenated organics, yet little quantitative IR data exists for isoprene. We thus report absorption coefficients and integrated band intensities for isoprene in the 600 - 6500 cm-1 region. The pressure-broadened (1 atmosphere N2) spectra were recorded at 278, 298 and 323 K in a 19.96 cm path length cell at 0.112 cm-1 resolution, using a Bruker 66V FTIR. Composite spectra are derived from a minimum of seven pressures at each temperature.

  10. Atmospheric optical calibration system

    DOE Patents [OSTI]

    Hulstrom, Roland L. (Bloomfield, CO); Cannon, Theodore W. (Golden, CO)

    1988-01-01

    An atmospheric optical calibration system is provided to compare actual atmospheric optical conditions to standard atmospheric optical conditions on the basis of aerosol optical depth, relative air mass, and diffuse horizontal skylight to global horizontal photon flux ratio. An indicator can show the extent to which the actual conditions vary from standard conditions. Aerosol scattering and absorption properties, diffuse horizontal skylight to global horizontal photon flux ratio, and precipitable water vapor determined on a real-time basis for optical and pressure measurements are also used to generate a computer spectral model and for correcting actual performance response of a photovoltaic device to standard atmospheric optical condition response on a real-time basis as the device is being tested in actual outdoor conditions.

  11. Atmospheric optical calibration system

    DOE Patents [OSTI]

    Hulstrom, R.L.; Cannon, T.W.

    1988-10-25

    An atmospheric optical calibration system is provided to compare actual atmospheric optical conditions to standard atmospheric optical conditions on the basis of aerosol optical depth, relative air mass, and diffuse horizontal skylight to global horizontal photon flux ratio. An indicator can show the extent to which the actual conditions vary from standard conditions. Aerosol scattering and absorption properties, diffuse horizontal skylight to global horizontal photon flux ratio, and precipitable water vapor determined on a real-time basis for optical and pressure measurements are also used to generate a computer spectral model and for correcting actual performance response of a photovoltaic device to standard atmospheric optical condition response on a real-time basis as the device is being tested in actual outdoor conditions. 7 figs.

  12. Autumn 2014 Atmospheric Circulation

    E-Print Network [OSTI]

    Doty, Sharon Lafferty

    to perform atmospheric chemistry measurements in this remote region of ubiquitous oil and gas drilling 30 days they raised $12,000, enough to support Maria's travel to Utah and to cover the costs

  13. Methods for separating oxygen from oxygen-containing gases

    DOE Patents [OSTI]

    Mackay, Richard (Lafayette, CO); Schwartz, Michael (Boulder, CO); Sammells, Anthony F. (Boulder, CO)

    2000-01-01

    This invention provides mixed conducting metal oxides particularly useful for the manufacture of catalytic membranes for gas-phase oxygen separation processes. The materials of this invention have the general formula: A.sub.x A'.sub.x A".sub.2-(x+x') B.sub.y B'.sub.y B".sub.2-(y+y') O.sub.5+z ; where x and x' are greater than 0; y and y' are greater than 0; x+x' is less than or equal to 2; y+y' is less than or equal to 2; z is a number that makes the metal oxide charge neutral; A is an element selected from the f block lanthanide elements; A' is an element selected from Be, Mg, Ca, Sr, Ba and Ra; A" is an element selected from the f block lanthanides or Be, Mg, Ca, Sr, Ba and Ra; B is an element selected from the group consisting of Al, Ga, In or mixtures thereof; and B' and B" are different elements and are independently selected from the group of elements Mg or the d-block transition elements. The invention also provides methods for oxygen separation and oxygen enrichment of oxygen deficient gases which employ mixed conducting metal oxides of the above formula. Examples of the materials used for the preparation of the membrane include A.sub.x Sr.sub.x' B.sub.y Fe.sub.y' Co.sub.2-(y+y') O.sub.5+z, where x is about 0.3 to about 0.5, x' is about 1.5 to about 1.7, y is 0.6, y' is between about 1.0 and 1.4 and B is Ga or Al.

  14. Characteristics of SiO2 Film Grown by Atomic Layer Deposition as the Gate Insulator of Low-Temperature Polysilicon Thin-Film Transistors

    E-Print Network [OSTI]

    Cao, Guozhong

    Characteristics of SiO2 Film Grown by Atomic Layer Deposition as the Gate Insulator of Low a Corresponding author: skrha@hanbat.ac.kr Keywords: atomic layer deposition (ALD), silicon dioxide (SiO2), dichlorosilane (SiH2Cl2), ozone (O3) Abstract. SiO2 films were prepared by atomic layer deposition (ALD

  15. Growth of Aligned Single-Crystalline Rutile TiO2 Nanowires on Arbitrary Substrates and Their Application in Dye-Sensitized Solar Cells

    E-Print Network [OSTI]

    Zhou, Chongwu

    the anodization method has been used to grow TiO2 nanotubes,28 an oblique angle deposition method has beenGrowth of Aligned Single-Crystalline Rutile TiO2 Nanowires on Arbitrary Substrates TiO2 is a wide band gap semiconductor with important applications in photovoltaic cells

  16. A novel magnetically separable TiO2/CoFe2O4 nanofiber with high photocatalytic activity under UVvis light

    E-Print Network [OSTI]

    Gong, Jian Ru

    photocatalytic ability, various morphologies of TiO2 including nanoparticles, nanotubes, nanostructured filmsA novel magnetically separable TiO2/CoFe2O4 nanofiber with high photocatalytic activity under UV pollutants [1,2]. Titanium dioxide (TiO2) is considered as an interesting material and has been widely

  17. Low-Cost High-Performance Solid-State Asymmetric Supercapacitors Based on MnO2 Nanowires and Fe2O3 Nanotubes

    E-Print Network [OSTI]

    Wang, Zhong L.

    performance. For example, Lu et al. developed a solid-state flexible ASC device with hydrogenated TiO2@MnO2 core-shell nanowires (NWs) as the positive electrode and hydro- genated TiO2@C core-shell NWs Nanotubes Peihua Yang, Yong Ding, Ziyin Lin, Zhongwei Chen, Yuzhi Li, Pengfei Qiang, Masood Ebrahimi, Wenjie

  18. Gas Transport and Exchange: Interaction Between O2 and CO2 CJ Brauner and JL Rummer, University of British Columbia, Vancouver, BC, Canada

    E-Print Network [OSTI]

    Wood, Spencer

    Gas Transport and Exchange: Interaction Between O2 and CO2 Exchange CJ Brauner and JL Rummer Nonlinear Bohr­Haldane Effect within the OEC Basis for the Interaction between O2 and CO2: Implications of Non-Steady-State Conditions for the Bohr­Haldane Effect Interaction between O2 and CO2 Exchange

  19. SUPPORTED DENSE CERAMIC MEMBRANES FOR OXYGEN SEPARATION

    SciTech Connect (OSTI)

    Timothy L. Ward

    2002-07-01

    Mixed-conducting ceramics have the ability to conduct oxygen with perfect selectivity at elevated temperatures, making them extremely attractive as membrane materials for oxygen separation and membrane reactor applications. While the conductivity of these materials can be quite high at elevated temperatures (typically 800-1000 C), much higher oxygen fluxes, or, alternatively, equivalent fluxes at lower temperatures, could be provided by supported thin or thick film membrane layers. Based on that motivation, the objective of this project was to explore the use of ultrafine aerosol-derived powder of a mixed-conducting ceramic material for fabrication of supported thick-film dense membranes. The project focused on the mixed-conducting ceramic composition SrCo{sub 0.5}FeO{sub x} (SCFO) because of the desirable permeability and stability of that material, as reported in the literature. Appropriate conditions to produce the submicron SrCo{sub 0.5}FeO{sub x} powder using aerosol pyrolysis were determined. Porous supports of the same composition were produced by partial sintering of a commercially obtained powder that possessed significantly larger particle size than the aerosol-derived powder. The effects of sintering conditions (temperature, atmosphere) on the porosity and microstructure of the porous discs were studied, and a standard support fabrication procedure was adopted. Subsequently, a variety of paste and slurry formulations were explored utilizing the aerosol-derived SCFO powder. These formulations were applied to the porous SCFO support by a doctor blade or spin coating procedure. Sintering of the supported membrane layer was then conducted, and additional layers were deposited and sintered in some cases. The primary characterization methods were X-ray diffraction and scanning electron microscopy, and room-temperature nitrogen permeation was used to assess defect status of the membranes.We found that non-aqueous paste/slurry formulations incorporating dispersant, plasticizer and binder provided superior cracking resistance compared to simple water, alcohol, or polyethylene glycol (PEG) based formulations. With a formulation employing castor oil as dispersant, isopropyl alcohol/mineral spirits as solvent, polyvinyl butyral as binder, and dibutyl phthalate/PEG as plasticizer, sintered SCFO membrane layers approximately 5 {micro}m thick with no apparent cracks were prepared using spin coating with several coats and sintering cycles. A similar but more viscous formulation applied by doctor blade gave a {approx} 10 {micro}m thick membrane layer in one coat, but with some apparent cracking. We demonstrated that the membrane layer could be densified while retaining porosity in the chemically identical support. This was accomplished by pre-sintering the support in air (1050 C), which coarsened the grain size and provided a relatively stable plate-shaped granular microstructure, followed by membrane layer fabrication with the highly-sinterable aerosol powder. Final densification was conducted by sintering in nitrogen ({approx}1100 C), which provided accelerated sintering rates and led to the desired layered perovskite phase content. In spite of these successes, low-temperature pressure-driven permeation testing with N2 showed that even the best membranes were not sufficiently defect free for high-temperature oxygen permeation testing. The source of these defects were not readily apparent from scanning electron microscopy, though incomplete or nonuniform membrane layer coverage from edge to edge of the support was probably one important factor.

  20. Microchemical systems for singlet oxygen generation

    E-Print Network [OSTI]

    Hill, Tyrone F. (Tyrone Frank), 1980-

    2008-01-01

    Chemical Oxygen-Iodine Lasers (COIL) are a technology of interest for industrial and military audiences. COILs are flowing gas lasers where the gain medium of iodine atoms is collisionally pumped by singlet delta oxygen ...

  1. The Role of Oxygen in Coal Gasification 

    E-Print Network [OSTI]

    Klosek, J.; Smith, A. R.; Solomon, J.

    1986-01-01

    of capital and energy. This paper examines the major factors in oxygen purity selection for typical coal gasifiers. Examples demonstrating the effect of oxygen purity on several processes are presented: production of synthetic natural gas (SNG), integrated...

  2. Mitochondrial reactive oxygen species and cancer

    E-Print Network [OSTI]

    Chandel, Navdeep S

    Mitochondria produce reactive oxygen species (mROS) as a natural by-product of electron transport chain activity. While initial studies focused on the damaging effects of reactive oxygen species, a recent paradigm shift ...

  3. Microbial oceanography of anoxic oxygen minimum zones

    E-Print Network [OSTI]

    Ulloa, Osvaldo

    Vast expanses of oxygen-deficient and nitrite-rich water define the major oxygen minimum zones (OMZs) of the global ocean. They support diverse microbial communities that influence the nitrogen economy of the oceans, ...

  4. Oxygen addition to sulfur of metal thiolates 

    E-Print Network [OSTI]

    Soma, Takako

    1996-01-01

    chemistry. The oxidation reactions of metal thiolates by hydrogen peroxide, molecular oxygen, dioxiranes, and peracids have been reviewed. The compounds resulting from oxidation and oxygenation of nickel thiolate complexes have been isolated, separated...

  5. Catalyst containing oxygen transport membrane

    DOE Patents [OSTI]

    Christie, Gervase Maxwell; Wilson, Jamie Robyn; van Hassel, Bart Antonie

    2012-12-04

    A composite oxygen transport membrane having a dense layer, a porous support layer and an intermediate porous layer located between the dense layer and the porous support layer. Both the dense layer and the intermediate porous layer are formed from an ionic conductive material to conduct oxygen ions and an electrically conductive material to conduct electrons. The porous support layer has a high permeability, high porosity, and a high average pore diameter and the intermediate porous layer has a lower permeability and lower pore diameter than the porous support layer. Catalyst particles selected to promote oxidation of a combustible substance are located in the intermediate porous layer and in the porous support adjacent to the intermediate porous layer. The catalyst particles can be formed by wicking a solution of catalyst precursors through the porous support toward the intermediate porous layer.

  6. Efficiency of clay-TiO2 nanocomposites on the photocatalytic eliminationof a model hydrophobic air pollutant

    SciTech Connect (OSTI)

    Kibanova, Daria; Cervini-Silva, Javiera; Destaillats, Hugo

    2009-01-01

    Clay-supported TiO2 photocatalysts can potentially improve the performance of air treatment technologies via enhanced adsorption and reactivity of target volatile organic compounds (VOCs). In this study, a bench-top photocatalytic flow reactor was used to evaluate the efficiency of hectorite-TiO2 and kaolinite-TiO2, two novel composite materials synthesized in our laboratory. Toluene, a model hydrophobic VOC and a common indoor air pollutant, was introduced in the air stream at realistic concentrations, and reacted under UVA (gamma max = 365 nm) or UVC (gamma max = 254 nm) irradiation. The UVC lamp generated secondary emission at 185 nm, leading to the formation of ozone and other short-lived reactive species. Performance of clay-TiO2 composites was compared with that of pure TiO2 (Degussa P25), and with UV irradiation in the absence of photocatalyst under identical conditions. Films of clay-TiO2 composites and of P25 were prepared by a dip-coating method on the surface of Raschig rings, which were placed inside the flow reactor. An upstream toluene concentration of ~;;170 ppbv was generated by diluting a constant flow of toluene vapor from a diffusion source with dry air, or with humid air at 10, 33 and 66percent relative humidity (RH). Toluene concentrations were determined by collecting Tenax-TA (R) sorbent tubes downstream of the reactor, with subsequent thermal desorption -- GC/MS analysis. The fraction of toluene removed, percentR, and the reaction rate, Tr, were calculated for each experimental condition from the concentration changes measured with and without UV irradiation. Use of UVC light (UV/TiO2/O3) led to overall higher reactivity, which can be partially attributed to the contribution of gas phase reactions by short-lived radical species. When the reaction rate was normalized to the light irradiance, Tr/I gamma, the UV/TiO2 reaction under UVA irradiation was more efficient for samples with a higher content of TiO2 (P25 and Hecto-TiO2), but not for Kao-TiO2. In all cases, reaction rates peaked at 10percent RH, with Tr values between 10 and 50percent higher than those measured under dry air. However, a net inhibition was observed as RH increased to 33percent and 66percent, indicating that water molecules competed effectively with toluene for reactive surface sites and limited the overall photocatalytic conversion. Compared to P25, inhibition by co-adsorbed water was less significant for Kao-TiO2 samples, but was more dramatic for Hecto-TiO2 due to the high water uptake capacity of hectorite.

  7. Effect of Sodium on the Catalytic Properties of VOx/CeO2 Catalysts for Oxidative Dehydrogenation of Methanol

    SciTech Connect (OSTI)

    Li, Yan; Wei, Zhehao; Sun, Junming; Gao, Feng; Peden, Charles HF; Wang, Yong

    2013-03-21

    A series of VOx/CeO2 catalysts with various sodium loadings (Na/V ratio from 0 to 1) has been studied for oxidative dehydrogenation (ODH) of methanol. The effect of sodium on the surface structure, redox properties, and surface acidity/basicity of VOx/CeO2 was investigated using hydrogen temperature-programmed reduction (H2-TPR), Raman spectroscopy, and Diffuse Reflectance Infrared Fourier Transform spectroscopy (DRIFT). The experimental results indicate that the effect of sodium on VOx/CeO2 is highly dependent on the Na/V ratio. At a low Na/V ratio (Na/V<0.25), sodium addition only slightly decreases the redox properties of VOx/CeO2 and has little effect on its activity and selectivity to formaldehyde, even though the Brönsted acidity is almost completely eliminated at a Na/V ratio of 0.25. At a high Na/V ratio (Na/V>0.25), sodium addition greatly alters the nature of the active sites by V-O-Ce bond cleavage and V-O-Na bond formation, leading to significantly reduced activity of the VOx/CeO2 catalysts. At Na/V>0.25, the selectivity to formaldehyde also decreases with increasing Na/V ratio due to: (1) the suppressed reducibility of VOx, and (2) increased basicity leading to increased CO2.

  8. Atmospheric and combustion chemistry of dimethyl ether

    SciTech Connect (OSTI)

    Nielsen, O.J.; Egsgaard, H.; Larsen, E.; Sehested, J.; Wallington, T.J.

    1997-12-31

    It has been demonstrated that dimethyl ether (DME) is an ideal diesel fuel alternative. DME, CH{sub 3}OCH{sub 3}, combines good fuel properties with low exhaust emissions and low combustion noise. Large scale production of this fuel can take place using a single step catalytic process converting CH{sub 4} to DME. The fate of DME in the atmosphere has previously been studied. The atmospheric degradation is initiated by the reaction with hydroxyl radicals, which is also a common feature of combustion processes. Spectrokinetic investigations and product analysis were used to demonstrate that the intermediate oxy radical, CH{sub 3}OCH{sub 2}O, exhibits a novel reaction pathway of hydrogen atom ejection. The application of tandem mass spectrometry to chemi-ions based on supersonic molecular beam sampling has recently been demonstrated. The highly reactive ionic intermediates are sampled directly from the flame and identified by collision activation mass spectrometry and ion-molecule reactions. The mass spectrum reflects the distribution of the intermediates in the flame. The atmospheric degradation of DME as well as the unique fuel properties of a oxygen containing compound will be discussed.

  9. The solar oxygen crisis: Probably not the last word

    E-Print Network [OSTI]

    H. Socas-Navarro A. A. Norton

    2007-03-26

    In this work we present support for recent claims that advocate a downward revision of the solar oxygen abundance. Our analysis employs spatially-resolved spectro-polarimetric observations including the \\FeI lines at 6302 \\AA and the \\OI infrared triplet around 7774 \\AA in the quiet Sun. We used the \\FeI lines to reconstruct the three-dimensional thermal and magnetic structure of the atmosphere. The simultaneous \\OI observations were then employed to determine the abundance of oxygen at each pixel, using both LTE and non-LTE (NLTE) approaches to the radiative transfer. In this manner, we obtain values of \\lgEO=8.63 (NLTE) and 8.93 (LTE) dex. We find an unsettling fluctuation of the oxygen abundance over the field of view. This is likely an artifact indicating that, even with this relatively refined strategy, important physical ingredients are still missing in the picture. By examining the spatial distribution of the abundance, we estimate realistic confidence limits of approximately 0.1 dex.

  10. 13, 1479714822, 2013 Atmospheric waves

    E-Print Network [OSTI]

    Lovejoy, Shaun

    .5194/acpd-13-14797-2013 © Author(s) 2013. CC Attribution 3.0 License. Sciences ss Atmospheric Chemistry and Physics OpenAccess Atmospheric Chemistry and Physics OpenAccess Discussions Atmospheric Measurement s Discussions This discussion paper is/has been under review for the journal Atmospheric Chemistry and Physics

  11. The middle Martian atmosphere

    SciTech Connect (OSTI)

    Jaquin, R.F.

    1989-01-01

    Profiles of scattered light above the planetary limb from 116 Viking Orbiter images are used to constrain the temporal and spatial behavior of aerosols suspended in the Martian atmosphere. The data cover a wide range of seasons, locations, and viewing geometry, providing information about the aerosol optical properties and vertical distribution. The typical atmospheric column contains one or more discrete, optically thin, ice-like haze layers between 30 and 90 km elevation whose composition is inferred to be water ice. Below the detached hazes, a continuous haze, interpreted to have a large dust component, extends from as much as 50 km to the surface. The haze distribution exhibits an annual variation that reflects a seasonally driven circulation in the middle atmosphere. The potential role of stationary gravity waves in modifying the middle atmosphere circulation is explored using a linear theory applied to a realistic Martian environment. Martian topography derived from radar observations is decomposed into Fourier harmonics and used to linearly superpose gravity waves arising from each component. The larger amplitude topography on Mars combined with the absence of extended regions of smooth topography like oceans generates larger wave amplitudes than on the Earth. The circulation of the middle atmosphere is examined using a two-dimensional, linearized, axisymmetric model successfully employed in the study of the terrestrial mesosphere. Illustrations of temperature and wind speeds are presented for the southern summer solstice and southern spring equinox.

  12. Enhancing electrochemical intermediate solvation through electrolyte anion selection to increase nonaqueous Li-O$_2$ battery capacity

    E-Print Network [OSTI]

    Burke, Colin M; Khetan, Abhishek; Viswanathan, Venkatasubramanian; McCloskey, Bryan D

    2015-01-01

    Among the 'beyond Li-ion' battery chemistries, nonaqueous Li-O$_2$ batteries have the highest theoretical specific energy and as a result have attracted significant research attention over the past decade. A critical scientific challenge facing nonaqueous Li-O$_2$ batteries is the electronically insulating nature of the primary discharge product, lithium peroxide, which passivates the battery cathode as it is formed, leading to low ultimate cell capacities. Recently, strategies to enhance solubility to circumvent this issue have been reported, but rely upon electrolyte formulations that further decrease the overall electrochemical stability of the system, thereby deleteriously affecting battery rechargeability. In this study, we report that a significant enhancement (greater than four-fold) in Li-O$_2$ cell capacity is possible by appropriately selecting the salt anion in the electrolyte solution. Using $^7$Li nuclear magnetic resonance and modeling, we confirm that this improvement is a result of enhanced Li...

  13. The PMMA opal film was infiltrated with SiO2 using a homemade CVD setup operating at atmospheric pressure and room temperature

    E-Print Network [OSTI]

    by Shearing** By Dan E. Angelescu,* Judith H. Waller, Douglas H. Adamson, Paru Deshpande, Stephen Y. Chou, Richard A. Register, and Paul M. Chaikin Block copolymer thin films are currently of great interest

  14. Level Alignment of a Prototypical Photocatalytic System: Methanol on TiO2(110)

    SciTech Connect (OSTI)

    Migani, Annapaola; Mowbray, Duncan J.; Iacomino, Amilcare; Zhao, Jin; Petek, Hrvoje

    2013-08-07

    Photocatalytic activity depends on the optimal alignment of electronic levels at the molecule? semiconductor interface. Establishing the level alignment experimentally is complicated by the uncertain chemical identity of the surface species. We address the assignment of the occupied and empty electronic levels for the prototypical photocatalytic system consisting of methanol on a rutile TiO2(110) surface. Using many-body quasiparticle (QP) techniques, we show that the frontier levels measured in UV photoelectron and two-photon photoemission spectroscopy experiments can be assigned to molecularly chemisorbed methanol rather than its dissociated product, the methoxy species. We find that the highest occupied molecular orbital of the methoxy species is much closer to the valence band maximum, suggesting why it is more photocatalytically active than the methanol molecule. We develop a general semiquantitative model for predicting many-body QP energies based on the electronic screening within the bulk, molecular, or vacuum regions of the wave functions at molecule?semiconductor interfaces.

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

    SciTech Connect (OSTI)

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

    2009-01-01

    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.

  16. Observations of Exoplanet Atmospheres

    E-Print Network [OSTI]

    Crossfield, Ian J M

    2015-01-01

    Detailed characterization of an extrasolar planet's atmosphere provides the best hope for distinguishing the makeup of its outer layers, and the only hope for understanding the interplay between initial composition, chemistry, dynamics & circulation, and disequilibrium processes. In recent years, some areas have seen rapid progress while developments in others have come more slowly and/or have been hotly contested. This article gives an observer's perspective on the current understanding of extrasolar planet atmospheres prior to the considerable advances expected from the next generation of observing facilities. Atmospheric processes of both transiting and directly-imaged planets are discussed, including molecular and atomic abundances, cloud properties, thermal structure, and planetary energy budgets. In the future we can expect a continuing and accelerating stream of new discoveries, which will fuel the ongoing exoplanet revolution for many years to come.

  17. Oxygenate Supply/Demand Balances

    Gasoline and Diesel Fuel Update (EIA)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustments (Billion Cubic Feet) Wyoming Dry NaturalPrices1Markets16 (next20, 20082008707Oxygenate

  18. Atmospheric pressure plasma analysis by modulated molecular beam mass spectrometry

    SciTech Connect (OSTI)

    Aranda Gonzalvo, Y.; Whitmore, T.D.; Rees, J.A.; Seymour, D.L.; Stoffels, E.

    2006-05-15

    Fractional number density measurements for a rf plasma 'needle' operating at atmospheric pressure have been obtained using a molecular beam mass spectrometer (MBMS) system designed for diagnostics of atmospheric plasmas. The MBMS system comprises three differentially pumped stages and a mass/energy analyzer and includes an automated beam-to-background measurement facility in the form of a software-controlled chopper mechanism. The automation of the beam modulation allows the neutral components in the plasma to be rapidly and accurately measured using the mass spectrometer by threshold ionization techniques. Data are reported for plasma generated by a needle plasma source operated using a helium/air mixture. In particular, data for the conversion of atmospheric oxygen and nitrogen into nitric oxide are discussed with reference to its significance for medical applications such as disinfecting wounds and dental cavities and for microsurgery.

  19. Oxidation of H2S by coadsorbed oxygen on the ?-Cr2O3(0001) surface

    SciTech Connect (OSTI)

    Henderson, Michael A.; Rosso, Kevin M.

    2011-03-01

    The interactions of H2S and oxygen have been explored on the a-Cr2O3(0001) surface using temperature programmed desorption (TPD), Auger electron spectroscopy (AES) and sticking coefficient measurements. H2S adsorbs with near unity sticking on the clean a-Cr2O3(0001) surface at 125 K up to a coverage of ~1.6 ML (where 1 ML is defined as the surface areal density of Cr3+ sites). Reversible adsorption is evidenced in TPD by three desorption states evolving between 150 and 315 K. Although no S-containing decomposition products were observed in TPD, AES detected S on the surface after TPD indicating that some degree of irreversible decomposition occurred. The level of H2S decomposition on the clean surface was estimated to be between 0.2-0.5 ML using water TPD as an indicator of S site blocking. In contrast, preadsorbed O2 at three temperatures (125, 400 and 800 K) exerted drastic changes on the surface chemistry of H2S seen on the clean surface. At 400 and 800 K, O2 adsorption on clean ?-Cr2O3(0001) is dissociative, populating the surface with chromyl groups (Cr=O) in the former case (corresponding to roughly 1 O per Cr3+ surface site) and resulting in a nearly complete O-termination sheet (~3 O per Cr3+) in the latter case. Little or no H2S chemistry is observed on the O-terminated surface based on TPD and AES. However, availability of Cr-coordination sites on the chromyl-terminated surface facilitated H2S adsorption and oxidation during TPD to SO2 (445-470 K) and H2O (320 K). Isotopic-labeling studies suggest that the oxygen atom in the water product originates from dosed oxygen whereas that in the SO2 product comes from the lattice. Similar results were obtained from H2S dosed on the surface pretreated with O2 at 125 K, where O2 adsorption is predominately molecular, except that S2 was also detected in TPD at 525 K and the amount of SO2 produced at 445 K decreased. These results suggest that atomically adsorbed oxygen effectively oxidizes H2S, but that molecularly adsorbed O2 is key to the partial oxidation of H2S to elemental sulfur.

  20. Stackable Miniature Fuel Cells with On-Demand Fuel and Oxygen Supply

    E-Print Network [OSTI]

    Hur, Janet

    2013-01-01

    dual electrolyte H2/O2 Planar membraneless microchannel fueldual electrolyte H2/O2 Planar membraneless microchannel fuel

  1. Developments in ITM oxygen technology for IGCC

    SciTech Connect (OSTI)

    Stein, V.E.E.; Richards, R.E.

    1999-07-01

    In partnership with the U.S. Department of Energy (DOE), an Air Products-led team (with Ceramatec, Eltron Research, McDermott Technology, NREC, Texaco, the Pennsylvania State University, and the University of Pennsylvania) is developing a new technology for air separation - Ion Transport Membrane Oxygen - based on the use of mixed-conducting ceramic membranes that have both electronic and oxygen ionic conductivity when operated at high temperature, typically 800 to 900 C. Under the influence of an oxygen partial-pressure driving force, the ITM Oxygen process achieves a high-purity, high-flux separation of oxygen from a compressed-air stream. By integrating the energy-rich, oxygen-depleted, non-permeate stream with a gas turbine system, the ITM Oxygen process becomes a co-producer of high-purity oxygen, power, and steam. Under a recent CRADA entitled ``Ion Transport Membranes (ITM) for Oxygen-Blown IGCC Systems and Indirect Coal Liquefaction,'' Air Products and DOE completed an initial quantification of the benefits of an ITM Oxygen-integrated IGCC facility. Compared to the cryogenic oxygen base case, the ITM Oxygen technology can potentially: reduce total installed costs by 7%; improve thermal efficiency for the integrated IGCC system by about 3%, leading to further decreases in carbon dioxide and sulfur emissions; and reduce the cost of generated electric power by more than 6%. The ITM Oxygen development project will proceed in three phases. Phase 1, which commenced under a DOE Cooperative Agreement in October 1998, is a 3-year effort focusing on construction of a technology development unit (TDU) for process concept validation tests at a capacity of 0.1 ton-per-day (TPD) oxygen. To accomplish this objective, the Air Products team will address relevant technical challenges in ITM Oxygen materials, engineering, membrane module development, and performance testing. During Phase 1 the team will also verify the economic prospects for integrating ITM Oxygen technology with IGCC and other advanced power generation systems. After at least one intermediate scaleup, Phase 2 and 3 activities will culminate with scaleup to a 25- to 50-TPD pre-commercial demonstration unit, fully integrated with a gas turbine. Meeting these challenges of developing cost-effective fabrication techniques for ITM Oxygen devices, and successfully integrating them with commercially available gas turbine engines, is key to bringing ITM Oxygen technology to the marketplace.

  2. Autumn 2012 Atmospheric Circulation

    E-Print Network [OSTI]

    Doty, Sharon Lafferty

    wind, and accumulated precipitation at a designated city. Forecasts are made over a two-week period Department 1 The UW Atmospheric Sciences spring forecast contest has been an annual tradition there will be a marine push or a convergence zone wrecking their forecast for maximum temperature and precipitation

  3. Laboratory for Atmospheric and

    E-Print Network [OSTI]

    Mojzsis, Stephen J.

    Laboratory for Atmospheric and Space Physics Activity Report 2013 University of Colorado at Boulder from the Naval Research Center and the Air Force Cambridge Research Laboratory (now the Phillips Laboratory), the University of Colorado formed a research group called the Upper Air Laboratory (UAL

  4. Laboratory for Atmospheric and

    E-Print Network [OSTI]

    Mojzsis, Stephen J.

    Laboratory for Atmospheric and Space Physics Activity Report 2012 University of Colorado at Boulder from the Naval Research Center and the Air Force Cambridge Research Laboratory (now the Phillips Laboratory), the University of Colorado formed a research group called the Upper Air Laboratory (UAL

  5. Laboratory for Atmospheric and

    E-Print Network [OSTI]

    Mojzsis, Stephen J.

    Laboratory for Atmospheric and Space Physics Activity Report 2008 University of Colorado at Boulder, Jet Propulsion Laboratory) LASP: A Brief History In 1946-47, a handful of American universities joined Laboratory (now the Phillips Laboratory), the University of Colorado formed a research group called the Upper

  6. Laboratory for Atmospheric and

    E-Print Network [OSTI]

    Mojzsis, Stephen J.

    1 Laboratory for Atmospheric and Space Physics Activity Report 2010 University of Colorado from the Na- val Research Center and the Air Force Cambridge Research Laboratory (now the Phillips Laboratory), the University of Colorado formed a research group called the Upper Air Laboratory (UAL

  7. Influence of particle size and water coverage on the thermodynamic properties of water confined on the surface of SnO2 cassiterite nanoparticles

    SciTech Connect (OSTI)

    Spencer, Elinor; Ross, Dr. Nancy; Parker, Stewart F.; Kolesnikov, Alexander I; Woodfield, Brian; Woodfield, K; Rytting, M; Boerio-Goates, Juliana; Navrotsky, Alexandra

    2011-01-01

    Inelastic neutron scattering (INS) data for SnO2 nanoparticles of three different sizes and varying hydration levels are presented. Data were recorded on five nanoparticle samples that had the following compositions: 2 nm SnO2*0.82H2O, 6 nm SnO2*0.055H2O, 6 nm SnO2*0.095H2O, 20 nm SnO2*0.072H2O, and 20 nm SnO2*0.092H2O. The isochoric heat capacity and vibrational entropy values at 298 K for the water confined on the surface of these nanoparticles were calculated from the vibrational density of states that were extracted from the INS data. This study has shown that the hydration level of the SnO2 nanoparticles influences the thermodynamic properties of the water layers and, most importantly, that there appears to be a critical size limit for SnO2 between 2 and 6 nm below which the particle size also affects these properties and above which it does not. These results have been compared with those for isostructural rutile-TiO2 nanoparticles [TiO2*0.22H2O and TiO2*0.37H2O], which indicated that water on the surface of TiO2 nanoparticles is more tightly bound and experiences a greater degree of restricted motion with respect to water on the surface of SnO2 nanoparticles. This is believed to be a consequence of the difference in chemical composition, and hence surface properties, of these metal oxide nanoparticles.

  8. 182 IEEE TRANSACTIONS ON NANOTECHNOLOGY, VOL. 12, NO. 2, MARCH 2013 Monitoring the Environmental Impact of TiO2

    E-Print Network [OSTI]

    Parker, Lynne E.

    the potential environmental impact of these nanoparticles. The goal of this research was to de- velop a plant-based sensor network for characterizing, monitoring, and understanding the environmental impact of TiO2 impact of nanomaterials. Index Terms--Biosystems, environmental monitoring, nanobio- science

  9. Kinetics-controlled growth of aligned mesocrystalline SnO2 nanorod arrays for lithium-ion batteries with

    E-Print Network [OSTI]

    Qi, Limin

    Kinetics-controlled growth of aligned mesocrystalline SnO2 nanorod arrays for lithium-ion batteries structures, lithium-ion batteries ABSTRACT A general method for facile kinetics-controlled growth of aligned material for lithium-ion batteries. 1 Introduction Lithium-ion batteries (LIBs) have been considered

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

    E-Print Network [OSTI]

    Cao, Guozhong

    ]. However, the full potential of the organic­ inorganic hybrid solar cells has been suppressed so far­inorganic hybrid solar cells Junting Xi · Orawan Wiranwetchayan · Qifeng Zhang · Zhiqiang Liang · Yueming Sun controlled by growth conditions. When used in hybrid solar cells, TiO2 NRs function as the continuous pathway

  11. Anatase TiO2 nanobelts with plasmonic Au decoration exhibiting efficient charge separation and enhanced activity

    E-Print Network [OSTI]

    Liu, Fuqiang

    and enhanced activity Chiajen Hsu, Yi Shen, Zi Wei, Dong Liu, Fuqiang Liu Department of Materials Science-light-active TiO2 has attracted lots of attention since 98% of the solar energy resides within the visible light energy states in the band gap to allow optical absorption of visible light. For example, both N

  12. Oxidative dehydrogenation (ODH) of ethane with O2 as oxidant on selected transition metal-loaded zeolites

    E-Print Network [OSTI]

    Poeppelmeier, Kenneth R.

    Oxidative dehydrogenation (ODH) of ethane with O2 as oxidant on selected transition metal Accepted 14 April 2009 Available online 17 May 2009 Keywords: Oxidative dehydrogenation Ethane Ethylene of ethane (ODHE) to ethylene were characterized. Acidic Ni-loaded Y zeolite exhibits an ethylene

  13. Intact Size-Selected Aun Clusters on a TiO2(110)-(1 1) Surface at Room Temperature

    E-Print Network [OSTI]

    Buratto, Steve

    ) images of evaporated Au and Ag, assumed to be monomeric in the vapor phase, that these metals sinter upon illuminated with a pulsed YAG laser beam (532 nm, 500 mJ/pulse max power), producing a gold plasma. Positive to cluster deposition, the clean TiO2(110)- (1 × 1) surface was prepared by multiple cycles of Ar+ ion

  14. Investigation of Local Environments in Nafion-SiO2 Composite Membranes used in Vanadium Redox Flow Batteries

    SciTech Connect (OSTI)

    Vijayakumar, M.; Schwenzer, Birgit; Kim, Soowhan; Yang, Zhenguo; Thevuthasan, Suntharampillai; Liu, Jun; Graff, Gordon L.; Hu, Jian Z.

    2012-04-01

    The proton conducting polymer composite membranes are of technological interest in many energy devices such as fuel cells and redox flow batteries. In particular, the polymer composite membranes such as SiO2 incorporated Nafion membranes are recently reported as highly promising for the redox flow batteries. However, there is conflicting reports regarding the performance of this Nafion-SiO2 composite membrane in the redox flow cell. This paper presents results of the analysis of the Nafion-SiO2 composite membrane used in a vanadium redox flow battery by nuclear magnetic resonance (NMR) spectroscopy, X-ray photoelectron spectroscopy (XPS), Fourier Transformed Infra Red (FTIR) spectroscopy, and ultraviolet visible spectroscopy. The XPS study reveals the chemical identity and environment of vanadium cations accumulated at the surface. On the other hand, the 19F and 29Si NMR measurement explores the nature of the interaction between the silica particles, Nafion side chains and diffused vanadium cations. The 29Si NMR shows that the silica particles interaction via hydrogen bonds to the sulfonic groups of Nafion and diffused vanadium cations. Based on these spectroscopic studies, the chemical environment of the silica particles inside the Nafion membrane and their interaction with diffusing vanadium cations during flow cell operations are discussed. This study discusses the origin of performance degradation of the Nafion-SiO2 composite membrane materials in vanadium redox flow batteries.

  15. Supporting information Evolution of Hollow TiO2 Nanostructures via the Kirkendall Effect Driven by Cation

    E-Print Network [OSTI]

    Wang, Xudong

    valve open). The chamber was cooled down naturally under N2 flow after growth. To acquire different 5 cm away from the precursor inlet nozzle. N2 gas with a flow rate of 40 sccm was introduced into the chamber to serve as the carrier gas. The system's base pressure was kept at 3.2 Torr. The hollow TiO2

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    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

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

    E-Print Network [OSTI]

    Carroll, David L.

    2007-01-01

    Journal of Power Sources 165 (2007) 509­516 Direct NaBH4/H2O2 fuel cells George H. Mileya,e,, Nie online 5 December 2006 Abstract A fuel cell (FC) using liquid fuel and oxidizer is under investigation. H Published by Elsevier B.V. Keywords: Fuel cell; Hydrogen peroxide; Regenerative fuel cell; Sodium

  18. Olivine LiCoPO4 phase grown LiCoO2 cathode material for high density Li batteries

    E-Print Network [OSTI]

    Cho, Jaephil

    Olivine LiCoPO4 phase grown LiCoO2 cathode material for high density Li batteries Hyunjung Lee an increase in the cut-off voltage of the cell from 4.2 V to 4.4 V (vs. graphite). As an alterna- tive, we can

  19. Cycle-Life Characterization of Automotive Lithium-Ion Batteries with LiNiO2 Cathode

    E-Print Network [OSTI]

    Cycle-Life Characterization of Automotive Lithium-Ion Batteries with LiNiO2 Cathode Yancheng Zhang of lithium- ion batteries for electric vehicles EVs and hybrid EVs HEVs . Substantial research has been- face, which is critical to the cycle life and calendar life of lithium- ion batteries.1,2 Unfortunately

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

    E-Print Network [OSTI]

    Boyer, Edmond

    in Europe to isolate and store radioactive waste. In France, the Callovo-Oxfordian formation (COx) is a possible candidate for nuclear waste storage. This work investigates the applicability of CeO2-based oxides or are anticipated in the COx formation during its evolution as radioactive waste repository due mainly

  1. Role of hydrogen in Ge/HfO2/Al gate stacks subjected to negative bias temperature instability

    E-Print Network [OSTI]

    Misra, Durgamadhab "Durga"

    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

  2. ICP Plasma Jet For Target Interaction Studies Of O-atoms In O2 And CO2 Supersonic Flows

    SciTech Connect (OSTI)

    Dilecce, G.; Ambrico, P.F.; De Benedictis, S. [Istituto di Metodologie Inorganiche e dei Plasmai, CNR-sez. Ter. Bari, c/o Dipartimento di Chimica, Universita di Bari- Via Orabona 4, 7126 Bari (Italy)

    2005-05-16

    An RF plasma jet using a planar inductive discharge in CO2 or in O2 gases has been used to produce a supersonic flow of O atoms suitable for gas-surface interaction experiments. The supersonic O atom stream is characterized by 2D space resolved TALIF.

  3. Electron Microscopy Observation of TiO2 Nanocrystal Evolution in High-Temperature Atomic Layer Deposition

    E-Print Network [OSTI]

    Wang, Xudong

    ABSTRACT: Understanding the evolution of amorphous and crystalline phases during atomic layer deposition nanorods via the principle of vapor-phase oriented attachment. KEYWORDS: TiO2, atomic layer deposition, Ostwald-Lussac law, oriented attachment Atomic layer deposition (ALD) is a unique thin film growth

  4. TiO2 nanotube arrays grown in ionic liquids: high-efficiency in photocatalysis and pore-widening

    SciTech Connect (OSTI)

    Li, Huaqing; Qu, Jun; Cui, Qingzhou; Xu, Hanbing; Luo, Huimin; Chi, Miaofang; Meisner, Roberta Ann; Wang, Wei; Dai, Sheng

    2011-01-01

    Debris-free, long, well-separated TiO2 nanotube arrays were obtained using an ionic liquid (IL) as electrolyte. The high conductivity of IL resulted in fast pore widening and few contaminants from electrolyte decomposition leading to high photocatalytic efficiency in water splitting.

  5. Laser fluorescence study of AIO formed in the reaction AI + O2: Product state distribution, dissociation energy, and radiative

    E-Print Network [OSTI]

    Laser fluorescence study of AIO formed in the reaction AI + O2: Product state distribution, dissociation energy, and radiative lifetime P. J. Dagdigian*, H. W. Cruset, and R. N. Zare Department distributions are found to differ significantly, with v = 0 having more rotational excitation than v = I

  6. SnO2 functionalized AlGaN/GaN high electron mobility transistor for hydrogen sensing applications

    E-Print Network [OSTI]

    Florida, University of

    for spacecraft and other long-term sensing applications. However, hydrogen is a dangerous gas for storage for monitoring leakage of hydrogen storage equipment and fuel tanks for spacecraft and hydrogen fuel cellSnO2 functionalized AlGaN/GaN high electron mobility transistor for hydrogen sensing applications

  7. Calcification capacity of porous pHEMATiO2 composite Chao Li Yu-Feng Zheng Xia Lou

    E-Print Network [OSTI]

    Zheng, Yufeng

    calcification of synthetic biomaterials for applications in orthopaedic and dental surgery. It has been polymers for applica- tions as orthopaedic and dental implants. In this study, novel titanium dioxide (TiO2 recognised that deposition of hydroxyapatite (HA) like CaP onto biomaterials surfaces can facilitate direct

  8. Microwave-Assisted Synthesis of SnO2 Nanosheets Photoanodes for Dye-Sensitized Solar Cells

    E-Print Network [OSTI]

    Cao, Guozhong

    Microwave-Assisted Synthesis of SnO2 Nanosheets Photoanodes for Dye-Sensitized Solar Cells Yajie microwave-assisted hydrothermal growth and used as photoanodes for dye-sensitized solar cells (DSCs nanosheets as photoanodes from microwave-assisted synthesis exhibited much enhanced energy conversion

  9. High-Efficiency Photoelectrocatalytic Hydrogen Generation Enabled by Palladium Quantum Dots-Sensitized TiO2 Nanotube Arrays

    E-Print Network [OSTI]

    Lin, Zhiqun

    High-Efficiency Photoelectrocatalytic Hydrogen Generation Enabled by Palladium Quantum Dots of hydrogen as a potential fuel for renewable energy.1 Among the various catalysts, the noble metal palladium ABSTRACT: TiO2 nanotube arrays (TNTAs) sensitized by palladium quantum dots (Pd QDs) exhibit highly

  10. Device and method for separating oxygen isotopes

    DOE Patents [OSTI]

    Rockwood, Stephen D. (Los Alamos, NM); Sander, Robert K. (Los Alamos, NM)

    1984-01-01

    A device and method for separating oxygen isotopes with an ArF laser which produces coherent radiation at approximately 193 nm. The output of the ArF laser is filtered in natural air and applied to an irradiation cell where it preferentially photodissociates molecules of oxygen gas containing .sup.17 O or .sup.18 O oxygen nuclides. A scavenger such as O.sub.2, CO or ethylene is used to collect the preferentially dissociated oxygen atoms and recycled to produce isotopically enriched molecular oxygen gas. Other embodiments utilize an ArF laser which is narrowly tuned with a prism or diffraction grating to preferentially photodissociate desired isotopes. Similarly, desired mixtures of isotopic gas can be used as a filter to photodissociate enriched preselected isotopes of oxygen.

  11. Evaluation of CuAl2O4 as an Oxygen Carrier in Chemical-Looping Mehdi Arjmand,*,

    E-Print Network [OSTI]

    Azad, Abdul-Majeed

    dioxide in the atmosphere. Among these, carbon capture and storage (CCS) is considered promising solution for efficient combustion with intrinsic separation of carbon dioxide. The process uses a metalAl2O4) was assessed as a potential oxygen carrier using methane as fuel. The carrier particles were

  12. Multi-Timescale Investigation of Radiation Damage near TiO2 Rutile Grain Boundaries

    SciTech Connect (OSTI)

    Xian-Ming Bai; Blas P. Uberuaga

    2012-04-01

    Although grain boundaries (GBs) have been experimentally demonstrated to serve as sinks for absorbing radiation induced defects and improving the radiation tolerance of materials, the detailed atomistic interactions between defects and GBs leading to this enhanced tolerance are not well understood. In oxide ceramics the interactions are further complicated as defects can be charged and grain boundaries may exhibit space charge and charge dipole effects. Here, we use two atomistic modeling methods to examine the role of GBs in a model oxide system, rutile TiO2, in modifying defect production during irradiation events. The GB studied is a symmetric tilt GB with a rotation axis of [100] and a rotation angle of 15.25{sup o}. We use molecular dynamics to investigate defect production near the GB at both 300K and 1000 K and find that the damage production is sensitive to the initial distance of the primary knock-on atom (PKA) from the GB. We find three distinct regimes in which GBs have different effects on modifying defect production. Similar to GBs in metals, the GB absorbs more interstitials than vacancies at certain distances while this behavior of biased loading of interstitials diminishes at other distances. Further, we obtain the statistics of both interstitial and vacancy clusters 2 produced in collision cascades in terms of their compositions at two temperatures. We find that perfectly stoichiometric defect clusters (Schottky and anti-Schottky clusters) represent a small fraction of the total defect clusters produced. Moreover, a significant reduction in the number of interstitial clusters at 1000 K compared to 300 K is thought to be a consequence of enhanced migration of interstitials towards the GB. Finally the kinetic properties of certain defect clusters are investigated with temperature accelerated dynamics, without any priori assumptions of migration mechanisms. We find that small interstitial clusters become mobile at high temperatures while small vacancy clusters do not. Multiple migration pathways exist and are typically complex and non-intuitive. We use this kinetic information to explain experimental observations and predict their long-time migration behavior near GBs.

  13. Chemistry of Tantalum Clusters in Solution And on SiO(2) Supports: Analogies And Contrasts

    SciTech Connect (OSTI)

    Nemana, S.; Okamoto, N.L.; Browning, N.D.; Gates, B.C.

    2009-06-03

    Tantalum clusters have been synthesized from Ta(CH{sub 2}Ph){sub 5} on the surface of porous fumed SiO{sub 2}. When these clusters are small, incorporating, on average, several Ta atoms, their chemistry is similar to that of molecular tantalum clusters (and other early transition-metal) clusters. For example, The Ta-Ta bonds in these small supported clusters have been characterized by extended X-ray absorption fine structure (EXAFS), IR, and UV-vis spectroscopy, being similar to those in molecular analogues. The redox reactions of the supported clusters, characterized by X-ray absorption near-edge structure, are analogous to those of early transition-metal clusters in solution. In contrast to the largest of these clusters in solution and in the solid state, those supported on SiO{sub 2} are raftlike, facilitating the substantial metal-support-oxygen bonding that is evident in the EXAFS spectra. Samples consisting of tantalum clusters on SiO{sub 2} catalyze alkane disproportionation and the conversion of methane with n-butane to give other alkanes, but catalytic properties of analogous clusters in solution have barely been explored.

  14. Recent Advances in Developing Platinum Monolayer Electrocatalysts for the O2 Reduction Reaction

    SciTech Connect (OSTI)

    Vukmirovic,M.B.; Sasaki, K.; Zhou, W.-P.; Li, M.; Liu, P.; Wang, J.X.; Adzic, R.R.

    2008-09-15

    For Pt, the best single-element catalyst for many reactions, the question of content and loading is exceedingly important because of its price and availability. Using platinum as a fuel-cell catalyst in automotive applications will cause an unquantifiable increase in the demand for this metal. This big obstacle for using fuel cells in electric cars must be solved by decreasing the content of Pt, which is a great challenge of electrocatalysis Over the last several years we inaugurated a new class of electrocatalysts for the oxygen reduction reaction (ORR) based on a monolayer of Pt deposited on metal or alloy carbon-supported nanoparticles. The possibility of decreasing the Pt content in the ORR catalysts down to a monolayer level has a considerable importance because this reaction requires high loadings due to its slow kinetics. The Pt-monolayer approach has several unique features and some of them are: high Pt utilization, enhanced (or decreased) activity, enhanced stability, and direct activity correlations. The synthesis of Pt monolayer (ML) electrocatalysts was facilitated by our new synthesis method which allowed us to deposit a monolayer of Pt on various metals, or alloy nanoparticles [1, 2] for the cathode electrocatalyst. In this synthesis approach Pt is laid down by the galvanically displacing a Cu monolayer, which was deposited at underpotentials in a monolayer-limited reaction on appropriate metal substrate, with Pt after immersing the electrode in a K{sub 2}PtCl{sub 4} solution.

  15. Differential atmospheric tritium sampler

    DOE Patents [OSTI]

    Griesbach, O.A.; Stencel, J.R.

    1987-10-02

    An atmospheric tritium sampler is provided which uses a carrier gas comprised of hydrogen gas and a diluting gas, mixed in a nonexplosive concentration. Sample air and carrier gas are drawn into and mixed in a manifold. A regulator meters the carrier gas flow to the manifold. The air sample/carrier gas mixture is pulled through a first moisture trap which adsorbs water from the air sample. The moisture then passes through a combustion chamber where hydrogen gas in the form of H/sub 2/ or HT is combusted into water. The manufactured water is transported by the air stream to a second moisture trap where it is adsorbed. The air is then discharged back into the atmosphere by means of a pump.

  16. Air stable Al2O3-coated Li2NiO2 cathode additive as a surplus current consumer in a Li-ion cell

    E-Print Network [OSTI]

    Cho, Jaephil

    increases to 2.75V (2.85V vs. graphite), its discharge capacity decreases to 120 mAh/g, which corresponds for the irreversible capacity of the Li-ion cell using LiCoO2 and natural graphite as cathode and anode materials the complete decomposition of the Li2NiO2. 1. Introduction Most Li secondary batteries use LiCoO2 as a cathode

  17. SiO2 aerogel film as a novel intermetal dielectric Moon-Ho Jo, Hyung-Ho Park,a)

    E-Print Network [OSTI]

    Jo, Moon-Ho

    SiO2 aerogel film as a novel intermetal dielectric Moon-Ho Jo, Hyung-Ho Park,a) Dong-Joon Kim, Sang, cross talk, and interconnection delay in the deep submicron device regime. SiO2 aerogel is one of the successful fabrication of a SiO2 aerogel film as well as its material properties and electrical properties

  18. The effects of zirconia morphology on methanol synthesis from COand H2 over Cu/ZrO2 catalysts: Part I -- Steady-State Studies

    SciTech Connect (OSTI)

    Rhodes, Michael J.; Bell, Alexis T.

    2005-03-21

    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.

  19. Oxygen ion-beam microlithography

    DOE Patents [OSTI]

    Tsuo, Y.S.

    1991-08-20

    A method of providing and developing a resist on a substrate for constructing integrated circuit (IC) chips includes the following steps: of depositing a thin film of amorphous silicon or hydrogenated amorphous silicon on the substrate and exposing portions of the amorphous silicon to low-energy oxygen ion beams to oxidize the amorphous silicon at those selected portions. The nonoxidized portions are then removed by etching with RF-excited hydrogen plasma. Components of the IC chip can then be constructed through the removed portions of the resist. The entire process can be performed in an in-line vacuum production system having several vacuum chambers. Nitrogen or carbon ion beams can also be used. 5 figures.

  20. THE GREAT OXIDATION OF EARTH'S ATMOSPHERE: CONTESTING THE YOYO MODEL VIA TRANSITION STABILITY ANALYSIS

    SciTech Connect (OSTI)

    Cuntz, M.; Roy, D.; Musielak, Z. E., E-mail: cuntz@uta.ed, E-mail: dipanjan.roy@etumel.univmed.f, E-mail: zmusielak@uta.ed [Department of Physics, University of Texas at Arlington, Arlington, TX 76019 (United States)

    2009-11-20

    A significant controversy regarding the climate history of the Earth and its relationship to the development of complex life forms concerns the rise of oxygen in the early Earth's atmosphere. Geological records show that this rise occurred about 2.4 Gyr ago, when the atmospheric oxygen increased from less than 10{sup -5} present atmospheric level (PAL) to more than 0.01 PAL and possibly above 0.1 PAL. However, there is a debate whether this rise happened relatively smoothly or with well-pronounced ups and downs (the Yoyo model). In our study, we explore a simplified atmospheric chemical system consisting of oxygen, methane, and carbon that is driven by the sudden decline of the net input of reductants to the surface as previously considered by Goldblatt et al. Based on the transition stability analysis for the system equations, constituting a set of non-autonomous and non-linear differential equations, as well as the inspection of the Lyapunov exponents, it is found that the equations do not exhibit chaotic behavior. In addition, the rise of oxygen occurs relative smoothly, possibly with minor bumps (within a factor of 1.2), but without major jumps. This result clearly argues against the Yoyo model in agreement with recent geological findings.

  1. Production of hydrogen peroxide in the atmosphere of a Snowball Earth and the origin of

    E-Print Network [OSTI]

    Kirschvink, Joseph L.

    Production of hydrogen peroxide in the atmosphere of a Snowball Earth and the origin of oxygenic with photochemical reactions involving water vapor would give rise to the sustained production of hydrogen peroxide. The photochemical production of hydrogen peroxide has been proposed previously as the primary mechanism

  2. Transient oxygen consumption rate measurements with the BDT?M? oxygen biosensor system

    E-Print Network [OSTI]

    Low, Clarke Alan

    2008-01-01

    Oxygen consumption rate (OCR) is a reliable indicator of tissue health. Recently, the OCR of isolated human islets has been shown to predict transplant outcome in diabetic mice. The Oxygen Biosensor System (OBS) is a ...

  3. Investigação de parâmetros hiperfinos dos óxidos semicondutores $SnO_{2}$ e $TiO_{2}$ puros e dopados com metais de transição 3d pela espectroscopia de correlação angular gama-gama perturbada

    E-Print Network [OSTI]

    Schell, Juliana

    This study aimed the use of nuclear technique Perturbed ?-? Angular Correlation Spectroccopy (PAC) to measure the hyperfine interactions in thin films and powder samples of SnO2 and TiO2 pure and doped with transition metals to obtain a systematic investigation of defects and magnetism from an atomic point of view with the main motivation the application in spintronics. The work also focused on the preparation and characterization of samples by conventional techniques such as X-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy and magnetization measurements. Pure samples of the films were measured by the systematic variation of thermal treatment and applied magnetic field. These measurements were performed in HISKP at the University of Bonn (Rheinische Friedrich-Wilhelms-Universität Bonn) using 111In(111Cd) or 181Hf (181Ta); at IPEN, in turn, these measurements were performed after the diffusion of the same probe nuclei. Another part of PAC measurements were carried out using 11...

  4. Atmospheric Chemistry Theodore S. Dibble

    E-Print Network [OSTI]

    Dibble, Theodore

    SYLLABUS FOR Atmospheric Chemistry FCH 511 Fall 2014 Theodore S. Dibble Professor of Chemistry 421 in Required Text Seinfeld, J. H. and Pandis, S. N. Atmospheric Chemistry and Physics: From Air Pollution nineteenth year at ESF, and my seventeenth year teaching FCH 511 (Atmospheric Chemistry). I have done a lot

  5. Cold atmospheric plasma in cancer therapy

    SciTech Connect (OSTI)

    Keidar, Michael; Shashurin, Alex; Volotskova, Olga; Ann Stepp, Mary; Srinivasan, Priya; Sandler, Anthony; Trink, Barry

    2013-05-15

    Recent progress in atmospheric plasmas has led to the creation of cold plasmas with ion temperature close to room temperature. This paper outlines recent progress in understanding of cold plasma physics as well as application of cold atmospheric plasma (CAP) in cancer therapy. Varieties of novel plasma diagnostic techniques were developed recently in a quest to understand physics of CAP. It was established that the streamer head charge is about 10{sup 8} electrons, the electrical field in the head vicinity is about 10{sup 7} V/m, and the electron density of the streamer column is about 10{sup 19} m{sup ?3}. Both in-vitro and in-vivo studies of CAP action on cancer were performed. It was shown that the cold plasma application selectively eradicates cancer cells in-vitro without damaging normal cells and significantly reduces tumor size in-vivo. Studies indicate that the mechanism of action of cold plasma on cancer cells is related to generation of reactive oxygen species with possible induction of the apoptosis pathway. It is also shown that the cancer cells are more susceptible to the effects of CAP because a greater percentage of cells are in the S phase of the cell cycle.

  6. M3,,PO4...2-Nanoparticle-Coated LiCoO2 vs LiCo0.96M0.04O2 ,,M = Mg and Zn... on Electrochemical and Storage

    E-Print Network [OSTI]

    Cho, Jaephil

    , 2008. At present, LiCoO2 powders are the most widely used cathode material in Li-ion batteries for mobile electronics, which alter the charge cutoff voltage from 4.2 V vs graphite 4.3 V vs lithium metal to 4.4 V vs graphite 4.5 V vs lithium metal . By increas- ing the cutoff voltage, the energy density

  7. Lifetimes and eigenstates in atmospheric chemistry

    E-Print Network [OSTI]

    Prather, Michael J

    1994-01-01

    Perturbation dynamics in atmospheric chemistry. J. Geophys.isotopic variations in atmospheric chemistry. Geophys. Res.M. et al. 2001 Atmospheric chemistry and greenhouse gases (

  8. Atmospheric chemistry of an Antarctic volcanic plume

    E-Print Network [OSTI]

    2010-01-01

    L. , et al. (2010), Atmospheric chemistry results from theI. , et al. (2006), Atmospheric chemistry of a 33 – 34 hourvolcanic eruptions on atmospheric chemistry, Chem. Geol. ,

  9. Epitaxial single-crystal thin films of MnxTi1-xO2-? grown on (rutile)TiO2 substrates with pulsed laser deposition: Experiment and theory

    SciTech Connect (OSTI)

    Ilton, Eugene S.; Droubay, Timothy C.; Chaka, Anne M.; Kovarik, Libor; Varga, Tamas; Arey, Bruce W.; Kerisit, Sebastien N.

    2015-02-01

    Epitaxial rutile-structured single-crystal MnxTi1-xO2-? films were synthesized on rutile- (110) and -(001) substrates using pulsed laser deposition. The films were characterized by reflection high-energy electron diffraction (RHEED), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and aberration-corrected transmission electron microscopy (ACTEM). Under the present conditions, 400oC and PO2 = 20 mTorr, single crystal epitaxial thin films were grown for x = 0.13, where x is the nominal average mole fraction of Mn. In fact, arbitrarily thick films could be grown with near invariant Mn/Ti concentration profiles from the substrate/film interface to the film surface. In contrast, at x = 0.25, Mn became enriched towards the surface and a secondary nano-scale phase formed which appeared to maintain the basic rutile structure but with enhanced z-contrast in the tunnels, or tetrahedral interstitial sites. Ab initio thermodynamic calculations provided quantitative estimates for the destabilizing effect of expanding the ?-MnO2 lattice parameters to those of TiO2-rutile, the stabilizing effect of diluting Mn with increasing Ti concentration, and competing reaction pathways.

  10. TiO2 nanotube arrays for photocatalysis: Effects of crystallinity, local order, and electronic structure

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

    Liu, Jing; Hosseinpour, Pegah M.; Luo, Si; Heiman, Don; Menon, Latika; Arena, Dario A.; Lewis, Laura H.

    2014-11-19

    To furnish insight into correlations of electronic and local structure and photoactivity, arrays of short and long TiO? nanotubes were synthesized by electrochemical anodization of Ti foil, followed by thermal treatment in O? (oxidizing), Ar (inert), and H? (reducing) environments. The physical and electronic structures of these nanotubes were probed with x-ray diffraction, scanning electron microscopy, and synchrotron-based x-ray absorption spectroscopy, and correlated with their photocatalytic properties. The photocatalytic activity of the nanotubes was evaluated by monitoring the degradation of methyl orange under UV-VIS light irradiation. Results show that upon annealing at 350 °C all as-anodized amorphous TiO? nanotube samplesmore »partially transform to the anatase structure, with variations in the degree of crystallinity and in the concentration of local defects near the nanotubes' surface (~5 nm) depending on the annealing conditions. Degradation of methyl orange was not detectable for the as-anodized TiO? nanotubes regardless of their length. The annealed long nanotubes demonstrated detectable catalytic activity, which was more significant with the H?-annealed nanotubes than with the Ar- and O?-annealed nanotube samples. This enhanced photocatalytic response of the H?-annealed long nanotubes relative to the other samples is positively correlated with the presence of a larger concentration of lattice defects (such as Ti3+ and anticipated oxygen vacancies) and a slightly lower degree of crystallinity near the nanotube surface. These physical and electronic structural attributes impact the efficacy of visible light absorption; moreover, the increased concentration of surface defects is postulated to promote the generation of hydroxyl radicals and thus accelerate the photodegradation of the methyl orange. The information obtained from this study provides unique insight into the role of the near-surface electronic and defect structure, crystal structure, and the local chemical environment on the photocatalytic activity and may be employed for tailoring the materials' properties for photocatalysis and other energy-related applications.« less

  11. Oxygen-Reducing Biocathodes Operating with Passive Oxygen Transfer in Microbial Fuel Cells

    E-Print Network [OSTI]

    Oxygen-Reducing Biocathodes Operating with Passive Oxygen Transfer in Microbial Fuel Cells Xue Xia.R. China Department of Civil and Environmental Engineering, Penn State University, 231Q Sackett Building of the catholyte. To avoid the need for aeration, the ability of biocathodes to function with passive oxygen

  12. Environmental TEM study of electron beam induced electro-chemistry of Pr????Ca????MnO? catalysts for oxygen evolution

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

    Mildner, Stephanie; Beleggia, Marco; Mierwaldt, Daniel; Hansen, Thoma Willum; Wagner, Jakob Birkedal; Yazdi, Sadegh; Kasama, Takeshi; Ciston, Jim; Zhu, Yimei; Jooss, Christian

    2015-03-12

    Environmental Transmission Electron Microscopy (ETEM) studies offer great potential for gathering atomic scale information on the electronic state of electrodes in contact with reactants but also pose big challenges due to the impact of the high energy electron beam. In this article, we present an ETEM study of a Pr????Ca????MnO? (PCMO) thin film electro-catalyst for water splitting and oxygen evolution in contact with water vapor. We show by means of off-axis electron holography and electrostatic modeling that the electron beam gives rise to a positive electric sample potential due to secondary electron emission. The value of the electric potential dependsmore »on the primary electron flux, the sample -conductivity and grounding, and gas properties. We present evidence that two observed electro-chemical reactions are driven by a beam induced electrostatic potential of the order of a volt. The first reaction is an anodic electrochemical oxidation reaction of oxygen depleted amorphous PCMO which results in recrystallization of the perovskite structure. The second reaction is oxygen evolution which can be detected by the oxidation of a silane additive and formation of SiO2–x at catalytically active surfaces. Recently published in-situ XANES observation of subsurface oxygen vacancy formation during oxygen evolution at a positive potential [³²] is confirmed in this work. The quantification of beam induced potentials is an important step for future controlled electro-chemical experiments in an ETEM.« less

  13. Large-Scale Synthesis of Transition-Metal-Doped TiO2 Nanowires with Controllable Overpotential

    SciTech Connect (OSTI)

    Liu, Bin; Chen, HaoMing; Liu, Chong; Andrews, Sean; Han, Chris; Yang, Peidong

    2013-03-13

    Practical implementation of one-dimensional semiconductors into devices capable of exploiting their novel properties is often hindered by low product yields, poor material quality, high production cost, or overall lack of synthetic control. Here, we show that a molten-salt flux scheme can be used to synthesize large quantities of high-quality, single-crystalline TiO2 nanowires with controllable dimensions. Furthermore, in situ dopant incorporation of various transition metals allows for the tuning of optical, electrical, and catalytic properties. With this combination of control, robustness, and scalability, the molten-salt flux scheme can provide high-quality TiO2 nanowires to satisfy a broad range of application needs from photovoltaics to photocatalysis.

  14. New Oxygen-Production Technology Proving Successful

    Broader source: Energy.gov [DOE]

    The Office of Fossil Energy's National Energy Technology Laboratory has partnered with Air Products and Chemicals Inc. of Allentown, Penn. to develop the Ion Transport Membrane (ITM) Oxygen, a revolutionary new oxygen-production technology that requires less energy and offers lower capital costs than conventional technologies.

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

    E-Print Network [OSTI]

    Metz, Ricardo B.

    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 that this reaction proceeds via a salt-bridge transition state.11 The barrier height is directly determined

  16. Identification of the Active Species in Photochemical Hole Scavenging Reactions of Methanol on TiO2

    SciTech Connect (OSTI)

    Shen, Mingmin; Henderson, Michael A.

    2011-11-03

    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.

  17. Low Temperature Atomic LayerLow Temperature Atomic Layer Deposition of Tin Dioxide, SnO2

    E-Print Network [OSTI]

    p electrical properties applications Harvard University 2 #12;SnO2: Transparent Conductor and Heat Mirror Hi h i ibl t i i (hi h b d (E 4 1 V)High visible transmission (high bandgap (Eg ~ 4.1 eV) High.06 0.08 0.10 n=1-T-R 0 0 0.2 0.4 Transmission 0.00 0.02 0.04 absorption 200 400 600 800 0

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

    E-Print Network [OSTI]

    Kushner, Mark

    of atomic iodine in favor of the I 2 P1/2 state. The laser output power was 220 mW in a stable cavityContinuous-wave laser oscillation on the 1315 nm transition of atomic iodine pumped by O2,,a11/2 I 2 P3/2 transition of atomic iodine is conventionally obtained by a near-resonant energy

  19. Oxygen ion-conducting dense ceramic

    DOE Patents [OSTI]

    Balachandran, Uthamalingam (Hinsdale, IL); Kleefisch, Mark S. (Naperville, IL); Kobylinski, Thaddeus P. (Lisle, IL); Morissette, Sherry L. (Las Cruces, NM); Pei, Shiyou (Naperville, IL)

    1997-01-01

    Preparation, structure, and properties of mixed metal oxide compositions containing at least strontium, cobalt, iron and oxygen are described. The crystalline mixed metal oxide compositions of this invention have, for example, structure represented by Sr.sub..alpha. (Fe.sub.1-x Co.sub.x).sub..alpha.+.beta. O.sub..delta. where x is a number in a range from 0.01 to about 1, .alpha. is a number in a range from about 1 to about 4, .beta. is a number in a range upward from 0 to about 20, and .delta. is a number which renders the compound charge neutral, and wherein the composition has a non-perovskite structure. Use of the mixed metal oxides in dense ceramic membranes which exhibit oxygen ionic conductivity and selective oxygen separation, are described as well as their use in separation of oxygen from an oxygen-containing gaseous mixture.

  20. Oxygen ion-conducting dense ceramic

    DOE Patents [OSTI]

    Balachandran, Uthamalingam (Hinsdale, IL); Kleefisch, Mark S. (Naperville, IL); Kobylinski, Thaddeus P. (Lisle, IL); Morissette, Sherry L. (Las Cruces, NM); Pei, Shiyou (Naperville, IL)

    1996-01-01

    Preparation, structure, and properties of mixed metal oxide compositions containing at least strontium, cobalt, iron and oxygen are described. The crystalline mixed metal oxide compositions of this invention have, for example, structure represented by Sr.sub..alpha. (Fe.sub.1-x Co.sub.x).sub..alpha.+.beta. O.sub..delta. where x is a number in a range from 0.01 to about 1, .alpha. is a number in a range from about 1 to about 4, .beta. is a number in a range upward from 0 to about 20, and .delta. is a number which renders the compound charge neutral, and wherein the composition has a non-perovskite structure. Use of the mixed metal oxides in dense ceramic membranes which exhibit oxygen ionic conductivity and selective oxygen separation, are described as well as their use in separation of oxygen from an oxygen-containing gaseous mixture.

  1. Modelling Hydrogen Reduction and Hydrodeoxygenation of Oxygenates

    SciTech Connect (OSTI)

    Zhao, Y.; Xu, Q.; Cheah, S.

    2013-01-01

    Based on Density Functional Theory (DFT) simulations, we have studied the reduction of nickel oxide and biomass derived oxygenates (catechol, guaiacol, etc.) in hydrogen. Both the kinetic barrier and thermodynamic favorability are calculated with respect to the modeled reaction pathways. In early-stage reduction of the NiO(100) surface by hydrogen, the pull-off of the surface oxygen atom and simultaneous activation of the nearby Ni atoms coordinately dissociate the hydrogen molecules so that a water molecule can be formed, leaving an oxygen vacancy on the surface. In hydrogen reaction with oxygenates catalyzed by transition metals, hydrogenation of the aromatic carbon ring normally dominates. However, selective deoxygenation is of particular interest for practical application such as biofuel conversion. Our modeling shows that doping of the transition metal catalysts can change the orientation of oxygenates adsorbed on metal surfaces. The correlation between the selectivity of reaction and the orientation of adsorption are discussed.

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

    SciTech Connect (OSTI)

    Kostko, Oleg; Ahmed, Musahid; Metz, Ricardo B.

    2008-12-05

    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.

  3. Remediation of Organic and Inorganic Arsenic Contaminated Groundwater using a Nonocrystalline TiO2 Based Adsorbent

    SciTech Connect (OSTI)

    Jing, C.; Meng, X; Calvache, E; Jiang, G

    2009-01-01

    A nanocrystalline TiO2-based adsorbent was evaluated for the simultaneous removal of As(V), As(III), monomethylarsonic acid (MMA), and dimethylarsinic acid (DMA) in contaminated groundwater. Batch experimental results show that As adsorption followed pseudo-second order rate kinetics. The competitive adsorption was described with the charge distribution multi-site surface complexation model (CD-MUSIC). The groundwater containing an average of 329 ?g L-1 As(III), 246 ?g L-1 As(V), 151 ?g L-1 MMA, and 202 ?g L-1 DMA was continuously passed through a TiO2 filter at an empty bed contact time of 6 min for 4 months. Approximately 11 000, 14 000, and 9900 bed volumes of water had been treated before the As(III), As(V), and MMA concentration in the effluent increased to 10 ?g L-1. However, very little DMA was removed. The EXAFS results demonstrate the existence of a bidentate binuclear As(V) surface complex on spent adsorbent, indicating the oxidation of adsorbed As(III). A nanocrystalline TiO2-based adsorbent could be used for the simultaneous removal of As(V), As(III), MMA, and DMA in contaminated groundwater.

  4. Equivalent Circuit Description of Non-compensated n-p Codoped TiO2 as Intermediate Band Solar Cells

    E-Print Network [OSTI]

    Tian-Li Feng; Guang-Wei Deng; Yi Xia; Feng-Cheng Wu; Ping Cui; Hai-Ping Lan; Zhen-Yu Zhang

    2010-12-09

    The novel concept of non-compensated n-p codoping has made it possible to create tunable intermediate bands in the intrinsic band gap of TiO2, making the codoped TiO2 a promising material for developing intermediate band solar cells (IBSCs). Here we investigate the quantum efficiency of such IBSCs within two scenarios - with and without current extracted from the extended intermediate band. Using the ideal equivalent circuit model, we find that the maximum efficiency of 57% in the first scenario and 53% in the second are both much higher than the Shockley-Queisser limit from single gap solar cells. We also obtain various key quantities of the circuits, a useful step in realistic development of TiO2 based solar cells invoking device integration. These equivalent circuit results are also compared with the efficiencies obtained directly from consideration of electron transition between the energy bands, and both approaches reveal the intriguing existence of double peaks in the maximum quantum efficiency as a function of the relative location of IBs.

  5. Modeling of selected ceramic processing parameters employed in the fabrication of 238PuO2 fuel pellets

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

    Brockman, R. A.; Kramer, D. P.; Barklay, C. D.; Cairns-Gallimore, D.; Brown, J. L.; Huling, J. C.; Van Pelt, C. E.

    2011-10-01

    Recent deep space missions utilize the thermal output of the radioisotope plutonium-238 as the fuel in the thermal to electrical power system. Since the application of plutonium in its elemental state has several disadvantages, the fuel employed in these deep space power systems is typically in the oxide form such as plutonium-238 dioxide (238PuO2). As an oxide, the processing of the plutonium dioxide into fuel pellets is performed via ''classical'' ceramic processing unit operations such as sieving of the powder, pressing, sintering, etc. Modeling of these unit operations can be beneficial in the understanding and control of processing parameters withmore »the goal of further enhancing the desired characteristics of the 238PuO2 fuel pellets. A finite element model has been used to help identify the time-temperature-stress profile within a pellet during a furnace operation taking into account that 238PuO2 itself has a significant thermal output. The results of the modeling efforts will be discussed.« less

  6. ARM - Atmospheric Heat Budget

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.TheoryTuesday, August 10, 20102016Study (CHAPS)Archive CampaignListAtmospheric Heat

  7. ARM - Atmospheric Pressure

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.TheoryTuesday, August 10, 20102016Study (CHAPS)Archive CampaignListAtmospheric

  8. Atmospheric PSF Interpolation

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefield MunicipalTechnical Report:Speeding accessby a contractor ofvarDOE PAGES11 PPPL-Atmospheric PSF

  9. PHOTOCHEMISTRY IN TERRESTRIAL EXOPLANET ATMOSPHERES. I. PHOTOCHEMISTRY MODEL AND BENCHMARK CASES

    SciTech Connect (OSTI)

    Hu Renyu; Seager, Sara; Bains, William

    2012-12-20

    We present a comprehensive photochemistry model for exploration of the chemical composition of terrestrial exoplanet atmospheres. The photochemistry model is designed from the ground up to have the capacity to treat all types of terrestrial planet atmospheres, ranging from oxidizing through reducing, which makes the code suitable for applications for the wide range of anticipated terrestrial exoplanet compositions. The one-dimensional chemical transport model treats up to 800 chemical reactions, photochemical processes, dry and wet deposition, surface emission, and thermal escape of O, H, C, N, and S bearing species, as well as formation and deposition of elemental sulfur and sulfuric acid aerosols. We validate the model by computing the atmospheric composition of current Earth and Mars and find agreement with observations of major trace gases in Earth's and Mars' atmospheres. We simulate several plausible atmospheric scenarios of terrestrial exoplanets and choose three benchmark cases for atmospheres from reducing to oxidizing. The most interesting finding is that atomic hydrogen is always a more abundant reactive radical than the hydroxyl radical in anoxic atmospheres. Whether atomic hydrogen is the most important removal path for a molecule of interest also depends on the relevant reaction rates. We also find that volcanic carbon compounds (i.e., CH{sub 4} and CO{sub 2}) are chemically long-lived and tend to be well mixed in both reducing and oxidizing atmospheres, and their dry deposition velocities to the surface control the atmospheric oxidation states. Furthermore, we revisit whether photochemically produced oxygen can cause false positives for detecting oxygenic photosynthesis, and find that in 1 bar CO{sub 2}-rich atmospheres oxygen and ozone may build up to levels that have conventionally been accepted as signatures of life, if there is no surface emission of reducing gases. The atmospheric scenarios presented in this paper can serve as the benchmark atmospheres for quickly assessing the lifetime of trace gases in reducing, weakly oxidizing, and highly oxidizing atmospheres on terrestrial exoplanets for the exploration of possible biosignature gases.

  10. OXYGEN ENHANCED COMBUSTION FOR NOx CONTROL

    SciTech Connect (OSTI)

    David R. Thompson; Lawrence E. Bool; Jack C. Chen

    2004-04-01

    Conventional wisdom says adding oxygen to a combustion system enhances product throughput, system efficiency, and, unless special care is taken, increases NOx emissions. This increase in NOx emissions is typically due to elevated flame temperatures associated with oxygen use leading to added thermal NOx formation. Innovative low flame temperature oxy-fuel burner designs have been developed and commercialized to minimize both thermal and fuel NOx formation for gas and oil fired industrial furnaces. To be effective these systems require close to 100% oxy-fuel combustion and the cost of oxygen is paid for by fuel savings and other benefits. For applications to coal-fired utility boilers at the current cost of oxygen, however, it is not economically feasible to use 100% oxygen for NOx control. In spite of this conventional wisdom, Praxair and its team members, in partnership with the US Department of Energy National Energy Technology Laboratory, have developed a novel way to use oxygen to reduce NOx emissions without resorting to complete oxy-fuel conversion. In this concept oxygen is added to the combustion process to enhance operation of a low NOx combustion system. Only a small fraction of combustion air is replaced with oxygen in the process. By selectively adding oxygen to a low NOx combustion system it is possible to reduce NOx emissions from nitrogen-containing fuels, including pulverized coal, while improving combustion characteristics such as unburned carbon. A combination of experimental work and modeling was used to define how well oxygen enhanced combustion could reduce NOx emissions. The results of this work suggest that small amounts of oxygen replacement can reduce the NOx emissions as compared to the air-alone system. NOx emissions significantly below 0.15 lbs/MMBtu were measured. Oxygen addition was also shown to reduce carbon in ash. Comparison of the costs of using oxygen for NOx control against competing technologies, such as SCR, show that this concept offers substantial savings over SCR and is an economically attractive alternative to purchasing NOx credits or installing other conventional technologies. In conjunction with the development of oxygen based low NOx technology, Praxair also worked on developing the economically enhancing oxygen transport membrane (OTM) technology which is ideally suited for integration with combustion systems to achieve further significant cost reductions and efficiency improvements. This OTM oxygen production technology is based on ceramic mixed conductor membranes that operate at high temperatures and can be operated in a pressure driven mode to separate oxygen with infinite selectivity and high flux. An OTM material was selected and characterized. OTM elements were successfully fabricated. A single tube OTM reactor was designed and assembled. Testing of dense OTM elements was conducted with promising oxygen flux results of 100% of target flux. However, based on current natural gas prices and stand-alone air separation processes, ceramic membranes do not offer an economic advantage for this application. Under a different DOE-NETL Cooperative Agreement, Praxair is continuing to develop oxygen transport membranes for the Advanced Boiler where the economics appear more attractive.

  11. TAPAS, a web-based service of atmospheric transmission computation for astronomy

    E-Print Network [OSTI]

    Bertaux, J L; Ferron, S; Boone, C; Bodichon, R

    2013-01-01

    Spectra of astronomical targets acquired from ground-based instruments are affected by the atmospheric transmission. The authors and their institutes are developing a web-based service, TAPAS (Transmissions of the AtmosPhere for AStromomical data). This service, freely available, is developed and maintained within the atmospheric ETHER data center. TAPAS computes the atmospheric transmission in the line-of-sight to the target indicated by the user. The user files a request indicating the time, ground location, and either the equatorial coordinates of the target or the Zenith Angle of the line-of sight (LOS). The actual atmospheric profile (temperature, pressure, humidity, ozone content) at that time and place is retrieved from the ETHER atmospheric data base (from a combination of ECMWF meteorological field and other informations), and the atmospheric transmission is computed from LBLRTM software and HITRAN data base for a number of gases: O2, H2O, O3, CO2, and Rayleigh extinction. The first purpose of TAPAS ...

  12. Compositional diversity in the atmospheres of hot Neptunes, with application to GJ 436b

    E-Print Network [OSTI]

    Moses, Julianne I; Visscher, Channon; Richardson, Molly R; Nettelmann, Nadine; Fortney, Jonathan J; Stevenson, Kevin B; Madhusudhan, Nikku

    2013-01-01

    Neptune-sized extrasolar planets that orbit relatively close to their host stars -- often called "hot Neptunes" -- are common within the known population of exoplanets and planetary candidates. Similar to our own Uranus and Neptune, inefficient accretion of nebular gas is expected produce hot Neptunes whose masses are dominated by elements heavier than hydrogen and helium. At high atmospheric metallicities of 10-10,000x solar, hot Neptunes will exhibit an interesting continuum of atmospheric compositions, ranging from more Neptune-like, H2-dominated atmospheres to more Venus-like, CO2-dominated atmospheres. We explore the predicted equilibrium and disequilibrium chemistry of generic hot Neptunes and find that the atmospheric composition varies strongly as a function of temperature and bulk atmospheric properties such as metallicity and the C/O ratio. Relatively exotic H2O, CO, CO2, and even O2-dominated atmospheres are possible for hot Neptunes. We apply our models to the case of GJ 436b, where we find that a...

  13. Design and Tailoring of a Three-Dimensional TiO2-Graphene-Carbon Nanotube Nanocomposite for Fast Lithium Storage

    E-Print Network [OSTI]

    Cao, Guozhong

    and thereby is inherently safe by avoiding Li electroplating. Furthermore, the TiO2 has high reversible,12,13 and coat the TiO2 particles with an electron-conducting layer.7,9,14,15 The hybrid nanostructure electrode

  14. Mesoporous TiO2 beads for high efficiency CdS/ CdSe quantum dot co-sensitized solar cells

    E-Print Network [OSTI]

    Cao, Guozhong

    Mesoporous TiO2 beads for high efficiency CdS/ CdSe quantum dot co-sensitized solar cells Ru Zhou-sensitized solar cell (QDSC) application. The photoanode films were composed of submicrometer-sized beads consisting of packed TiO2 nanocrystallites. A power conversion efficiency up to 4.05% has been achieved

  15. Enhancement of light extraction efficiency of InGaN quantum wells light emitting diodes using SiO2/polystyrene microlens arrays

    E-Print Network [OSTI]

    Gilchrist, James F.

    in the Fresnel reflection. Improvement of output power by 219% for InGaN quantum wells LEDs emitting at peakGaN quantum wells light emitting diodes LEDs using SiO2/polystyrene microspheres was demonstrated experimentally. The utilization of SiO2/polystyrene microlens arrays on InGaN quantum wells LEDs, deposited via

  16. Shock-Tube Time-History Measurements of H2O in the H2/O2 System Using IR Laser Absorption Spectroscopy 

    E-Print Network [OSTI]

    Mulvihill, Clayton

    2015-05-04

    H2O time-histories were studied within the H2/O2 system using a tunable diode laser system and a pressure-driven shock tube. Stoichiometric H2/O2 mixtures were prepared in high amounts of argon dilution. The mixtures were heated using a shock tube...

  17. Generation of Realistic Amorphous Al2O3 And ZrO2 Samples By Hybrid Classical and First-Principle Molecular Dynamics Simulations

    E-Print Network [OSTI]

    Kummel, Andrew C.

    Generation of Realistic Amorphous Al2O3 And ZrO2 Samples By Hybrid Classical and First-ZrO2 were generated by a hybrid classical and density functional theory (DFT) "melt and quench" molecular dynamics approach. The generated samples demonstrated good correlation with reference experimental

  18. 1 Rectangular Bunched Rutile TiO2 Nanorod Arrays Grown on Carbon 2 Fiber for Dye-Sensitized Solar Cells

    E-Print Network [OSTI]

    Wang, Zhong L.

    a study of rectangular bunched 13 TiO2 nanorod (NR) arrays grown on carbon fibers (CFs) 14 from titanium are fabricated by using etched TiO2 18 NR-coated CFs as the photoanode. An absolute energy 19 conversion (CFs). Relative to the traditional photoanode, CFs are 47 flexible, conductive, and stable in liquid

  19. Characterization of the natural barriers of intergranular tunnel junctions: Cr2O3 surface layers on CrO2 nanoparticles

    E-Print Network [OSTI]

    Diebold, Ulrike

    thin native oxide layer with a thickness of 1­3 nm on the surface of CrO2 powders has been observed direct observation by TEM of a 1­3 nm thick native oxide layer on the surface of the CrO2 single crystal

  20. Atomic imaging and modeling of H2O2(g) surface passivation, functionalization, and atomic layer deposition nucleation on the Ge(100) surface

    E-Print Network [OSTI]

    Kummel, Andrew C.

    and unpinning of a compound semiconductor surface during atomic layer deposition J. Chem. Phys. 133, 154704 and modeling of H2O2(g) surface passivation, functionalization, and atomic layer deposition nucleation, functionalization, and atomic layer deposition nucleation via H2O2(g) and trimethylalu- minum (TMA) dosing

  1. A Novel Combustion Synthesis Preparation of CuO/ZnO/ZrO2/Pd for Oxidative Hydrogen Production from Methanol

    E-Print Network [OSTI]

    Mukasyan, Alexander

    , selectively forming hydrogen and carbon mon- oxide [5­8]. However, when palladium is prepared with ZnO or ZrO2A Novel Combustion Synthesis Preparation of CuO/ZnO/ZrO2/Pd for Oxidative Hydrogen Production from Abstract Complex catalysts containing combinations of copper, zinc, zirconium, and palladium oxides were

  2. Interaction of iron-copper mixed metal oxide oxygen carriers with simulated synthesis gas derived from steam gasification of coal

    SciTech Connect (OSTI)

    Siriwardane, Ranjani V. [U.S. DOE; Ksepko, Ewelina; Tian, Hanging [URS

    2013-01-01

    The objective of this work was to prepare supported bimetallic Fe–Cu oxygen carriers and to evaluate their performance for the chemical-looping combustion (CLC) process with simulated synthesis gas derived from steam gasification of coal/air. Ten-cycle CLC tests were conducted with Fe–Cu oxygen carriers in an atmospheric thermogravimetric analyzer utilizing simulated synthesis gas derived from the steam gasification of Polish Janina coal and Illinois #6 coal as fuel. The effect of temperature on reaction rates, chemical stability, and oxygen transport capacity were determined. Fractional reduction, fractional oxidation, and global rates of reactions were calculated from the thermogravimetric analysis (TGA) data. The supports greatly affected reaction performance. Data showed that reaction rates and oxygen capacities were stable during the 10-cycle TGA tests for most Fe–Cu/support oxygen carriers. Bimetallic Fe–Cu/support oxygen carriers showed higher reduction rates than Fe-support oxygen carriers. The carriers containing higher Cu content showed better stabilities and better reduction rates. An increase in temperature from 800 °C to 900 °C did not have a significant effect on either the oxygen capacity or the reduction rates with synthesis gas derived from Janina coal. Oxidation reaction was significantly faster than reduction reaction for all supported Fe–Cu oxygen carriers. Carriers with higher Cu content had lower oxidation rates. Ten-cycle TGA data indicated that these oxygen carriers had stable performances at 800–900 °C and might be successfully used up to 900 °C for coal CLC reaction in the presence of steam.

  3. Synthesis of Ozone at Atmospheric Pressure by a Quenched Induction-Coupled Plasma Torch

    SciTech Connect (OSTI)

    A. Blutke; B.C. Stratton; D.R. Mikkelsen; J. Vavruska; R. Knight

    1998-01-01

    The technical feasibility of using an induction-coupled plasma (ICP) torch to synthesize ozone at atmospheric pressure is explored. Ozone concentrations up to ~250 ppm were produced using a thermal plasma reactor system based on an ICP torch operating at 2.5 MHz and ~11 kVA with an argon/oxygen mixture as the plasma-forming gas. A gaseous oxygen quench formed ozone by rapid mixing of molecular oxygen with atomic oxygen produced by the torch. The ozone concentration in the reaction chamber was measured by Fourier Transform infrared (FTIR) spectroscopy over a wide range of experimental configurations. The geometry of the quench gas flow, the quench flow velocity, and the quench flow rate played important roles in determining the ozone concentration. The ozone concentration was sensitive to the torch RF power, but was insensitive to the torch gas flow rates. These observations are interpreted within the framework of a simple model of ozone synthesis.

  4. On the oxygen abundance in our Galaxy

    E-Print Network [OSTI]

    L. S. Pilyugin; F. Ferrini; R. V. Shkvarun

    2003-02-03

    The compilation of published spectra of Galactic HII regions with available diagnostic [OIII]4363 line has been carried out. Our list contains 71 individual measurements of 13 HII regions in the range of galactocentric distances from 6.6 to 14.8 kpc. The oxygen abundances in all the HII regions were recomputed in the same way, using the classic Te - method. The oxygen abundance at the solar galactocentric distance traced by those HII regions is in agreement with the oxygen abundance in the interstellar medium in the solar vicinity derived with high precision from the interstellar absorption lines towards stars. The derived radial oxygen abundance distribution was compared with that for HII regions from the Shaver et al. (1983) sample which is the basis of many models for the chemical evolution of our Galaxy. It was found that the original Shaver et al.'s oxygen abundances are overestimated by 0.2-0.3 dex. Oxygen abundances in HII regions from the Shaver et al. sample have been redetermined with the recently suggested P - method. The radial distribution of oxygen abundances from the Shaver et al. sample redetermined with the P - method is in agreement with our radial distribution of (O/H)_Te abundances.

  5. Mobilization of Metals from Eau Claire Siltstone and the Impact of Oxygen under Geological Carbon Dioxide Sequestration Conditions

    SciTech Connect (OSTI)

    Shao, Hongbo; Kukkadapu, Ravi K.; Krogstad, Eirik J.; Newburn, Matthew K.; Cantrell, Kirk J.

    2014-09-01

    Geologic CO2 sequestration (GCS) has been proposed as a viable strategy to reduce anthropogenic CO2 emission; however, the increased cost that will be incurred by fossil energy production facilities is a deterrent to implementation of this technology. Allowing impurities in the effluent CO2 stream could result in significant financial and energy savings for CO2 capture and separation. However, impurities such as O2 have the potential to influence the redox state and alter the geochemical interactions that occur within GCS reservoirs, which increases the concern for CO2 and brine leakage from the storage reservoir as well as the overlying groundwater contamination. In this work, to investigate the impact of O2 co-injected with CO2 on the geochemical interactions, especially the trace metal mobilization from a GCS reservoir rock, batch studies were conducted with Eau Claire siltstone collected from CO2 sequestration sites. The rock was reacted with synthetic brines in contact with either 100% CO2 or a mixture of 95 mole% CO2-5 mole% O2 at 10.1 MPa and 75 °C. Both microscopic and spectroscopic measurements, including 57Fe-Mössbauer spectroscopy, Laser Ablation-Inductively Coupled Plasma-Mass Spectrometry, powder X-ray diffraction, scanning electron microscopy-energy dispersive x-ray spectroscopy, and chemical extraction were combined in this study to investigate reaction mechanisms. The Eau Claire siltstone contains quartz (52 wt%), fluorapatite (40%), and aluminosilicate (5%) as major components, and dolomite (2%), pyrite (1%), and small-particle-/poorly-crystalline Fe-oxides as minor components. With the introduction of CO2 into the reaction vessel containing rock and brine, the leaching of small amounts of fluorapatite, aluminosilicate, and dolomite occurred. Trace metals of environmental concern, including Pb, As, Cd, and Cu were detected in the leachate with concentrations up to 400 ppb in the CO2-brine-rock reaction system within 30 days. In the presence of O2, the mobilization of Pb, Cd, and Cu was significantly enhanced, whereas As concentrations decreased, compared with the reaction system without oxygen. The presence of oxygen resulted in the formation of secondary Fe-oxides which appear to be Fe(II)-substituted P-containing ferrihydrite. Although the rock contained only 1.04 wt% total Fe, oxidative dissolution of pyrite, leaching and oxidation of structural Fe(II) in fluorapatite, and precipitation of Fe-oxides significantly decreased the pH in brine with oxygen(pH 3.3-3.7), compared with the reaction system without oxygen (pH 4.2-4.4). In the CO2-rock-brine system without O2, the majority of As remained in the rock, with about 1.1% of the total As being released from intrinsic Fe-oxides to the aqueous phase. The release behavior of As to solution was consistent with competitive adsorption between phosphate/fluoride and As on Fe-oxide surfaces. In the presence of O2 the mobility of As was reduced due to enhanced adsorption onto both intrinsic and secondary Fe-oxide surfaces.When O2 was present, the dominant species in solution was the less toxic As(V). This work will advance our understanding of the geochemical reaction mechanisms that occur under GCS conditions and help to evaluate the risks associated with geological CO2 sequestration.

  6. Modulating tissue mechanics to increase oxygen delivery to tumors

    E-Print Network [OSTI]

    Martin, John Daniel, Ph. D. Massachusetts Institute of Technology

    2015-01-01

    Solid tumors have low oxygen tension - hypoxia - that fuels disease progression and treatment resistance. Thus, strategies for alleviating hypoxia are needed. Two factors affect tissue oxygen levels: oxygen supply via blood ...

  7. Characterization of an oxygen suspension used for intravenous infusion

    E-Print Network [OSTI]

    Peña, Kristen Helen

    2012-01-01

    Oxygenated fluid mixture can be used to treat critically ill patients suffering from asphyxia, lung injury, and cardiac arrest. This oxygenated fluid delivered intravenously re-oxygenates the bloodstream, allowing for more ...

  8. PHOTOCATALYTIC GENERATION OF DISSOLVED OXYGEN AND OXYHEMOGLOBIN IN WHOLE BLOOD BASED ON THE INDIRECT INTERACTION OF UV LIGHT WITH A SEMICONDUCTING TITANIUM DIOXIDE THIN FILM

    SciTech Connect (OSTI)

    Gilbert, Richard J.; Carleton, Linda M.; Dasse, Kurt A.; Martin, Peter M.; Williford, Rick E.; Monzyk, Bruce F.

    2007-10-01

    Most current artificial lung technologies require the delivery of oxygen to the blood via permeable hollow fibers, depending on membrane diffusivity and differential partial pressure to drive gas exchange. We have identified an alternative approach in which dissolved oxygen (DO) is generated directly from the water content of blood through the indirect interaction of UV light with a semi-conducting titanium dioxide thin film. This reaction is promoted by photon absorption and displacement of electrons from the photoactive film, and yields a cascading displacement of electron “holes” to the aqueous interface resulting in the oxidation of water molecules to form DO. Anatase TiO2 (photocatalyst) and ITO (electrically conductive and light transparent) coatings were deposited onto quartz flow-cell plates by DC reactive magnetron sputtering. The crystal structure of the films was evaluated by grazing incidence X-Ray Diffraction (GIXRD), which confirmed that the primary crystal phase of the TiO2 thin film was anatase with a probable rutile secondary phase. Surface topology and roughness were determined by atomic force microscopy, demonstrating a stochastically uniform array of nanocrystallites. UV illumination of the titanium dioxide thin film through the quartz/ITO surface resulted in the rapid increase of DO and oxyhemoglobin in adjacent flowing blood on the opposite TiO2 surface at a rate of 1.28 x 10-5 mmol O2/sec. The rate of oxyhemoglobin generation was linearly proportional to residence time adjacent to the photoactive surface in a flow-through test cell under steady-state conditions. Preliminary biocompatibility for the proposed photocatalytic effect on whole blood demonstrated no increase in the rate of hemolysis or generation of toxic byproducts of photo-oxidation. These results demonstrate the feasibility and safety of employing optoelectronic mechanisms to promote oxygenation of hemoglobin in whole blood, and provide substantiation for the use of this technology as a mechanism for artificial respiratory support.

  9. AISI/DOE Technology Roadmap Program: Development of an O2-Enriched Furnace System for Reduced CO2 and NOx Emissions For the Steel Industry

    SciTech Connect (OSTI)

    Edward W. Grandmaison; David J. Poirier; Eric Boyd

    2003-01-20

    An oxygen-enriched furnace system for reduced CO2 and NOx emission has been developed. The furnace geometry, with a sidewall-mounted burner, was similar to configurations commonly encountered in a steel reheat furnace. The effect of stack oxygen concentration, oxygen enrichment level and air infiltration on fuel savings/CO2 reduction, NOx emissions and scale formation were investigated. The firing rate required to maintain the furnace temperature at 1100 C decreased linearly with increasing oxygen enrichment. At full oxygen enrichment a reduction of 40-45% in the firing rate was required to maintain furnace temperature. NOx emissions were relatively constant at oxygen enrichment levels below 60% and decreased concentration at all oxygen enrichment levels. Air infiltration also had an effect on NOx levels leading to emissions similar to those observed with no air infiltration but with similar stack oxygen concentrations. At high oxygen enrichment levels, there was a larger variation in the refractory surface-temperature on the roof and blind sidewall of the furnace. Scale habit, intactness, adhesion and oxidation rates were examined for five grades of steel over a range of stack oxygen concentrations and oxygen enrichment levels at 1100 degree C. The steel grade had the largest effect on scaling properties examined in this work. The stack oxygen concentration and the oxygen enrichment level had much smaller effects on the scaling properties.

  10. Selective reduction of NOx in oxygen rich environments with plasma...

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

    reduction of NOx in oxygen rich environments with plasma-assisted catalysis: Catalyst development and mechanistic studies Selective reduction of NOx in oxygen rich environments...

  11. Oxygen-Enriched Combustion for Military Diesel Engine Generators...

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

    Oxygen-Enriched Combustion for Military Diesel Engine Generators Oxygen-Enriched Combustion for Military Diesel Engine Generators Substantial increases in brake power and...

  12. Advantages of Oxygenates Fuels over Gasoline in Direct Injection...

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

    Advantages of Oxygenates Fuels over Gasoline in Direct Injection Spark Ignition Engines Advantages of Oxygenates Fuels over Gasoline in Direct Injection Spark Ignition Engines...

  13. Design optimization of oxygenated fluid pump

    E-Print Network [OSTI]

    Piazzarolo, Bruno Aiala

    2012-01-01

    In medical emergencies, an oxygen-starved brain quickly suffers irreparable damage. In many cases, patients who stop breathing can be resuscitated but suffer from brain damage. Dr. John Kheir from Boston Children's Hospital ...

  14. Dynamic Nuclear Polarization of Oxygen-17

    E-Print Network [OSTI]

    Michaelis, Vladimir K.

    Oxygen-17-detected DNP NMR of a water/glycerol glass enabled an 80-fold enhancement of signal intensity at 82 K, using the biradical TOTAPOL. The >6000-fold savings in acquisition time enable [superscript 17]O–[superscript ...

  15. OXYGEN DIFFUSION IN HYPOSTOICHIOMETRIC URANIUM DIOXIDE

    E-Print Network [OSTI]

    Kim, Kee Chul

    2010-01-01

    IN HYPOSTOICHIOMETRIC URANIUM DIOXIDE Kee Chul Kim Ph.D.727-366; Figure 1. Oxygen-uranium phase-equilibrium _ystem [18]. uranium dioxide powders and 18 0 enriched carbon

  16. Oxygen Enriched Combustion System Performance Study 

    E-Print Network [OSTI]

    Chen, S. L.; Kwan, Y.; Abele, A. R.; Silver, L. S.; Kobayashi, H.

    1987-01-01

    i ndustri al furnaces, such as gl ass melting furnaces, appear to be the most promising appli cations for oxygen enriched combustion. In these applications, the principal energy savings results from minimizing the fuel energy required to heat... with non-water cooled refractory burner til es. The Oxytherm Burner was developed jointly by Maxon and Corning Glass for application of oxygen/fuel combustion in glass furnaces. This burner is also a non-water cooled refractory design with a specially...

  17. Discovery of oxygen in atmosphere could mean life for Saturn's moon Dione

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would like submit theCovalentLaboratory | National NuclearDiscovering SocialAsymmetric

  18. Origin of oxygen species in Titan's atmosphere S. M. Horst,1

    E-Print Network [OSTI]

    Yelle, Roger V.

    that the main nitrogen- and carbon- bearing species in the solar nebula were either N2 and CO or NH3 and CH4- rated into Titan as it accreted [Owen, 1982]. This hypothesis also implies that CO was the main carbon-bearing

  19. Ab Initio Simulation of Charge Transfer at the Semiconductor Quantum Dot/TiO 2 Interface in Quantum Dot-Sensitized Solar Cells

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

    Xin, Xukai; Li, Bo; Jung, Jaehan; Yoon, Young Jun; Biswas, Rana; Lin, Zhiqun

    2014-07-24

    Quantum dot-sensitized solar cells (QDSSCs) have emerged as a promising solar architecture for next-generation solar cells. The QDSSCs exhibit a remarkably fast electron transfer from the quantum dot (QD) donor to the TiO2 acceptor with size quantization properties of QDs that allows for the modulation of band energies to control photoresponse and photoconversion efficiency of solar cells. In order to understand the mechanisms that underpin this rapid charge transfer, the electronic properties of CdSe and PbSe QDs with different sizes on the TiO2 substrate are simulated using a rigorous ab initio density functional method. Our method capitalizes on localized orbitalmore »basis set, which is computationally less intensive. Quite intriguingly, a remarkable set of electron bridging states between QDs and TiO2 occurring via the strong bonding between the conduction bands of QDs and TiO2 is revealed. Such bridging states account for the fast adiabatic charge transfer from the QD donor to the TiO2 acceptor, and may be a general feature for strongly coupled donor/acceptor systems. All the QDs/TiO2 systems exhibit type II band alignments, with conduction band offsets that increase with the decrease in QD size. This facilitates the charge transfer from QDs donors to TiO2 acceptors and explains the dependence of the increased charge transfer rate with the decreased QD size.« less

  20. TiO2-rich reconstructions of SrTiO3(001): a theoretical study of structural patterns

    E-Print Network [OSTI]

    Marks, Laurence D.

    strongly on the experimental preparation conditions, with annealing temperature and oxygen partial pressure considered surfaces result- ing from termination at either one of these layers [13­18]. Non-bulk-like terminations were recently deduced for the (2 · 1) and c(4 · 2) reconstructions by way of transmission electron