National Library of Energy BETA

Sample records for metal oxide chemical

  1. Aerosol chemical vapor deposition of metal oxide films

    DOE Patents [OSTI]

    Ott, Kevin C. (4745 Trinity Dr., Los Alamos, NM 87544); Kodas, Toivo T. (5200 Noreen Dr. NE., Albuquerque, NM 87111)

    1994-01-01

    A process of preparing a film of a multicomponent metal oxide including: forming an aerosol from a solution comprised of a suitable solvent and at least two precursor compounds capable of volatilizing at temperatures lower than the decomposition temperature of said precursor compounds; passing said aerosol in combination with a suitable oxygen-containing carrier gas into a heated zone, said heated zone having a temperature sufficient to evaporate the solvent and volatilize said precursor compounds; and passing said volatilized precursor compounds against the surface of a substrate, said substrate having a sufficient temperature to decompose said volatilized precursor compounds whereby metal atoms contained within said volatilized precursor compounds are deposited as a metal oxide film upon the substrate is disclosed. In addition, a coated article comprising a multicomponent metal oxide film conforming to the surface of a substrate selected from the group consisting of silicon, magnesium oxide, yttrium-stabilized zirconium oxide, sapphire, or lanthanum gallate, said multicomponent metal oxide film characterized as having a substantially uniform thickness upon said FIELD OF THE INVENTION The present invention relates to the field of film coating deposition techniques, and more particularly to the deposition of multicomponent metal oxide films by aerosol chemical vapor deposition. This invention is the result of a contract with the Department of Energy (Contract No. W-7405-ENG-36).

  2. Cyclic catalytic upgrading of chemical species using metal oxide materials

    DOE Patents [OSTI]

    White, James H; Schutte, Erick J; Rolfe, Sara L

    2013-05-07

    Processes are disclosure which comprise alternately contacting an oxygen-carrying catalyst with a reducing substance, or a lower partial pressure of an oxidizing gas, and then with the oxidizing gas or a higher partial pressure of the oxidizing gas, whereby the catalyst is alternately reduced and then regenerated to an oxygenated state. In certain embodiments, the oxygen-carrying catalyst comprises at least one metal oxide-containing material containing a composition having the following formulas: (a) Ce.sub.xB.sub.yB'.sub.zB''O.sub..delta., wherein B=Ba, Sr, Ca, or Zr; B'=Mn, Co, and/or Fe; B''=Cu; 0.01metal oxides.

  3. Cyclic catalytic upgrading of chemical species using metal oxide materials

    DOE Patents [OSTI]

    White, James H. (Boulder, CO); Schutte, Erick J. (Thornton, CO); Rolfe, Sara L. (Loveland, CO)

    2010-11-02

    Processes are disclosure which comprise alternately contacting an oxygen-carrying catalyst with a reducing substance, or a lower partial pressure of an oxidizing gas, and then with the oxidizing gas or a higher partial pressure of the oxidizing gas, whereby the catalyst is alternately reduced and then regenerated to an oxygenated state. In certain embodiments, the oxygen-carrying catalyst comprises at least one metal oxide-containing material containing a composition having one of the following formulas: (a) Ce.sub.xB.sub.yB'.sub.zB''O.sub..delta., wherein B=Ba, Sr, Ca, or Zr; B'=Mn, Co, or Fe; B''=Cu; 0.01

  4. Volatile organometallic complexes suitable for use in chemical vapor depositions on metal oxide films

    DOE Patents [OSTI]

    Giolando, Dean M.

    2003-09-30

    Novel ligated compounds of tin, titanium, and zinc are useful as metal oxide CVD precursor compounds without the detriments of extreme reactivity yet maintaining the ability to produce high quality metal oxide coating by contact with heated substrates.

  5. Metal atom oxidation laser

    DOE Patents [OSTI]

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-10-28

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides. (auth)

  6. Metal atom oxidation laser

    DOE Patents [OSTI]

    Jensen, R.J.; Rice, W.W.; Beattie, W.H.

    1975-10-28

    A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides.

  7. Synthesis of Metal Oxide Nanomaterials for Chemical Sensors by Molecular Beam Epitaxy

    SciTech Connect (OSTI)

    Nandasiri, Manjula I.; Kuchibhatla, Satyanarayana V N T; Thevuthasan, Suntharampillai

    2013-12-01

    Since the industrial revolution, detection and monitoring of toxic matter, chemical wastes, and air pollutants has become an important environmental issue. Thus, it leads to the development of chemical sensors for various environmental applications. The recent disastrous oil spills over the near-surface of ocean due to the offshore drilling emphasize the use of chemical sensors for prevention and monitoring of the processes that might lead to these mishaps.1, 2 Chemical sensors operated on a simple principle that the sensing platform undergoes a detectable change when exposed to the target substance to be sensed. Among all the types of chemical sensors, solid state gas sensors have attracted a great deal of attention due to their advantages such as high sensitivity, greater selectivity, portability, high stability and low cost.3, 4 Especially, semiconducting metal oxides such as SnO2, TiO2, and WO3 have been widely used as the active sensing platforms in solid state gas sensors.5 For the enhanced properties of solid state gas sensors, finding new sensing materials or development of existing materials will be needed. Thus, nanostructured materials such as nanotubes,6-8 nanowires,9-11 nanorods,12-15 nanobelts,16, 17 and nano-scale thin films18-23 have been synthesized and studied for chemical sensing applications.

  8. Regenerable MgO promoted metal oxide oxygen carriers for chemical looping combustion

    DOE Patents [OSTI]

    Siriwardane, Ranjani V.; Miller, Duane D.

    2014-08-19

    The disclosure provides an oxygen carrier comprised of a plurality of metal oxide particles in contact with a plurality of MgO promoter particles. The MgO promoter particles increase the reaction rate and oxygen utilization of the metal oxide when contacting with a gaseous hydrocarbon at a temperature greater than about 725.degree. C. The promoted oxide solid is generally comprised of less than about 25 wt. % MgO, and may be prepared by physical mixing, incipient wetness impregnation, or other methods known in the art. The oxygen carrier exhibits a crystalline structure of the metal oxide and a crystalline structure of MgO under XRD crystallography, and retains these crystalline structures over subsequent redox cycles. In an embodiment, the metal oxide is Fe.sub.2O.sub.3, and the gaseous hydrocarbon is comprised of methane.

  9. Metal oxide films on metal

    DOE Patents [OSTI]

    Wu, Xin D. (Los Alamos, NM); Tiwari, Prabhat (Los Alamos, NM)

    1995-01-01

    A structure including a thin film of a conductive alkaline earth metal oxide selected from the group consisting of strontium ruthenium trioxide, calcium ruthenium trioxide, barium ruthenium trioxide, lanthanum-strontium cobalt oxide or mixed alkaline earth ruthenium trioxides thereof upon a thin film of a noble metal such as platinum is provided.

  10. Lithium metal reduction of plutonium oxide to produce plutonium metal

    DOE Patents [OSTI]

    Coops, Melvin S. (Livermore, CA)

    1992-01-01

    A method is described for the chemical reduction of plutonium oxides to plutonium metal by the use of pure lithium metal. Lithium metal is used to reduce plutonium oxide to alpha plutonium metal (alpha-Pu). The lithium oxide by-product is reclaimed by sublimation and converted to the chloride salt, and after electrolysis, is removed as lithium metal. Zinc may be used as a solvent metal to improve thermodynamics of the reduction reaction at lower temperatures. Lithium metal reduction enables plutonium oxide reduction without the production of huge quantities of CaO--CaCl.sub.2 residues normally produced in conventional direct oxide reduction processes.

  11. Correlating the chemical composition and size of various metal oxide substrates with the catalytic activity and stability of as-deposited Pt nanoparticles for the methanol oxidation reaction

    SciTech Connect (OSTI)

    Megan E. Scofield; Wong, Stanislaus S.; Koenigsmann, Christopher; Bobb-Semple, Dara; Tao, Jing; Tong, Xiao; Wang, Lei; Lewis, Crystal S.; Vuklmirovic, Miomir; Zhu, Yimei; Adzic, Radoslav R.

    2015-12-09

    The performance of electrode materials in conventional direct alcohol fuel cells (DAFC) is constrained by (i) the low activity of the catalyst materials relative to their overall cost, (ii) the poisoning of the active sites due to the presence of partially oxidized carbon species (such as but not limited to CO, formate, and acetate) produced during small molecule oxidation, and (iii) the lack of catalytic stability and durability on the underlying commercial carbon support. Therefore, as a viable alternative, we have synthesized various metal oxide and perovskite materials of different sizes and chemical compositions as supports for Pt nanoparticles (NPs). Our results including unique mechanistic studies demonstrate that the SrRuO3 substrate with immobilized Pt NPs at its surface evinces the best methanol oxidation performance as compared with all of the other substrate materials tested herein, including commercial carbon itself. In addition, data from electron energy loss spectroscopy (EELS) and X-ray photoelectron spectroscopy (XPS) confirmed the presence of electron transfer from bound Pt NPs to surface Ru species within the SrRuO3 substrate itself, thereby suggesting that favorable metal support interactions are responsible for the increased methanol oxidation reaction (MOR) activity of Pt species with respect to the underlying SrRuO3 composite catalyst material.

  12. Correlating the chemical composition and size of various metal oxide substrates with the catalytic activity and stability of as-deposited Pt nanoparticles for the methanol oxidation reaction

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

    Megan E. Scofield; Wong, Stanislaus S.; Koenigsmann, Christopher; Bobb-Semple, Dara; Tao, Jing; Tong, Xiao; Wang, Lei; Lewis, Crystal S.; Vuklmirovic, Miomir; Zhu, Yimei; et al

    2015-12-09

    The performance of electrode materials in conventional direct alcohol fuel cells (DAFC) is constrained by (i) the low activity of the catalyst materials relative to their overall cost, (ii) the poisoning of the active sites due to the presence of partially oxidized carbon species (such as but not limited to CO, formate, and acetate) produced during small molecule oxidation, and (iii) the lack of catalytic stability and durability on the underlying commercial carbon support. Therefore, as a viable alternative, we have synthesized various metal oxide and perovskite materials of different sizes and chemical compositions as supports for Pt nanoparticles (NPs).more » Our results including unique mechanistic studies demonstrate that the SrRuO3 substrate with immobilized Pt NPs at its surface evinces the best methanol oxidation performance as compared with all of the other substrate materials tested herein, including commercial carbon itself. In addition, data from electron energy loss spectroscopy (EELS) and X-ray photoelectron spectroscopy (XPS) confirmed the presence of electron transfer from bound Pt NPs to surface Ru species within the SrRuO3 substrate itself, thereby suggesting that favorable metal support interactions are responsible for the increased methanol oxidation reaction (MOR) activity of Pt species with respect to the underlying SrRuO3 composite catalyst material.« less

  13. METAL OXIDE NANOPARTICLES

    SciTech Connect (OSTI)

    FERNANDEZ-GARCIA,M.; RODGRIGUEZ, J.A.

    2007-10-01

    This chapter covers the fundamental science, synthesis, characterization, physicochemical properties and applications of oxide nanomaterials. Explains fundamental aspects that determine the growth and behavior of these systems, briefly examines synthetic procedures using bottom-up and top-down fabrication technologies, discusses the sophisticated experimental techniques and state of the art theory results used to characterize the physico-chemical properties of oxide solids and describe the current knowledge concerning key oxide materials with important technological applications.

  14. Method of producing adherent metal oxide coatings on metallic surfaces

    DOE Patents [OSTI]

    Lane, Michael H. (Clifton Park, NY); Varrin, Jr., Robert D. (McLean, VA)

    2001-01-01

    Provided is a process of producing an adherent synthetic corrosion product (sludge) coating on metallic surfaces. The method involves a chemical reaction between a dry solid powder mixture of at least one reactive metal oxide with orthophosphoric acid to produce a coating in which the particles are bound together and the matrix is adherent to the metallic surface.

  15. Atomic-Resolution Visualization of Distinctive Chemical Mixing Behavior of Ni, Co and Mn with Li in Layered Lithium Transition-Metal Oxide Cathode Materials

    SciTech Connect (OSTI)

    Yan, Pengfei; Zheng, Jianming; Lv, Dongping; Wei, Yi; Zheng, Jiaxin; Wang, Zhiguo; Kuppan, Saravanan; Yu, Jianguo; Luo, Langli; Edwards, Danny J.; Olszta, Matthew J.; Amine, Khalil; Liu, Jun; Xiao, Jie; Pan, Feng; Chen, Guoying; Zhang, Jiguang; Wang, Chong M.

    2015-07-06

    Capacity and voltage fading of layer structured cathode based on lithium transition metal oxide is closely related to the lattice position and migration behavior of the transition metal ions. However, it is scarcely clear about the behavior of each of these transition metal ions. We report direct atomic resolution visualization of interatomic layer mixing of transition metal (Ni, Co, Mn) and lithium ions in layer structured oxide cathodes for lithium ion batteries. Using chemical imaging with aberration corrected scanning transmission electron microscope (STEM) and DFT calculations, we discovered that in the layered cathodes, Mn and Co tend to reside almost exclusively at the lattice site of transition metal (TM) layer in the structure or little interlayer mixing with Li. In contrast, Ni shows high degree of interlayer mixing with Li. The fraction of Ni ions reside in the Li layer followed a near linear dependence on total Ni concentration before reaching saturation. The observed distinctively different behavior of Ni with respect to Co and Mn provides new insights on both capacity and voltage fade in this class of cathode materials based on lithium and TM oxides, therefore providing scientific basis for selective tailoring of oxide cathode materials for enhanced performance.

  16. Extracting metals directly from metal oxides

    DOE Patents [OSTI]

    Wai, C.M.; Smart, N.G.; Phelps, C.

    1997-02-25

    A method of extracting metals directly from metal oxides by exposing the oxide to a supercritical fluid solvent containing a chelating agent is described. Preferably, the metal is an actinide or a lanthanide. More preferably, the metal is uranium, thorium or plutonium. The chelating agent forms chelates that are soluble in the supercritical fluid, thereby allowing direct removal of the metal from the metal oxide. In preferred embodiments, the extraction solvent is supercritical carbon dioxide and the chelating agent is selected from the group consisting of {beta}-diketones, halogenated {beta}-diketones, phosphinic acids, halogenated phosphinic acids, carboxylic acids, halogenated carboxylic acids, and mixtures thereof. In especially preferred embodiments, at least one of the chelating agents is fluorinated. The method provides an environmentally benign process for removing metals from metal oxides without using acids or biologically harmful solvents. The chelate and supercritical fluid can be regenerated, and the metal recovered, to provide an economic, efficient process. 4 figs.

  17. Extracting metals directly from metal oxides

    DOE Patents [OSTI]

    Wai, Chien M.; Smart, Neil G.; Phelps, Cindy

    1997-01-01

    A method of extracting metals directly from metal oxides by exposing the oxide to a supercritical fluid solvent containing a chelating agent is described. Preferably, the metal is an actinide or a lanthanide. More preferably, the metal is uranium, thorium or plutonium. The chelating agent forms chelates that are soluble in the supercritical fluid, thereby allowing direct removal of the metal from the metal oxide. In preferred embodiments, the extraction solvent is supercritical carbon dioxide and the chelating agent is selected from the group consisting of .beta.-diketones, halogenated .beta.-diketones, phosphinic acids, halogenated phosphinic acids, carboxylic acids, halogenated carboxylic acids, and mixtures thereof. In especially preferred embodiments, at least one of the chelating agents is fluorinated. The method provides an environmentally benign process for removing metals from metal oxides without using acids or biologically harmful solvents. The chelate and supercritical fluid can be regenerated, and the metal recovered, to provide an economic, efficient process.

  18. Decontamination of metals using chemical etching

    DOE Patents [OSTI]

    Lerch, Ronald E. (Kennewick, WA); Partridge, Jerry A. (Richland, WA)

    1980-01-01

    The invention relates to chemical etching process for reclaiming contaminated equipment wherein a reduction-oxidation system is included in a solution of nitric acid to contact the metal to be decontaminated and effect reduction of the reduction-oxidation system, and includes disposing a pair of electrodes in the reduced solution to permit passage of an electrical current between said electrodes and effect oxidation of the reduction-oxidation system to thereby regenerate the solution and provide decontaminated equipment that is essentially radioactive contamination-free.

  19. Catalytic production of metal carbonyls from metal oxides

    DOE Patents [OSTI]

    Sapienza, Richard S. (Shoreham, NY); Slegeir, William A. (Hampton Bays, NY); Foran, Michael T. (Rocky Point, NY)

    1984-01-01

    This invention relates to the formation of metal carbonyls from metal oxides and specially the formation of molybdenum carbonyl and iron carbonyl from their respective oxides. Copper is used here in admixed form or used in chemically combined form as copper molybdate. The copper/metal oxide combination or combined copper is utilized with a solvent, such as toluene and subjected to carbon monoxide pressure of 25 atmospheres or greater at about 150.degree.-260.degree. C. The reducing metal copper is employed in catalytic concentrations or combined concentrations as CuMoO.sub.4 and both hydrogen and water present serve as promoters. It has been found that the yields by this process have been salutary and that additionally the catalytic metal may be reused in the process to good effect.

  20. Catalytic production of metal carbonyls from metal oxides

    DOE Patents [OSTI]

    Sapienza, R.S.; Slegeir, W.A.; Foran, M.T.

    1984-01-06

    This invention relates to the formation of metal carbonyls from metal oxides and specially the formation of molybdenum carbonyl and iron carbonyl from their respective oxides. Copper is used here in admixed form or used in chemically combined form as copper molybdate. The copper/metal oxide combination or combined copper is utilized with a solvent, such as toluene and subjected to carbon monoxide pressure of 25 atmospheres or greater at about 150 to 260/sup 0/C. The reducing metal copper is employed in catalytic concentrations or combined concentrations as CuMoO/sub 4/ and both hydrogen and water present serve as promoters. It has been found that the yields by this process have been salutary and that additionally the catalytic metal may be reused in the process to good effect. 3 tables.

  1. Thin film hydrous metal oxide catalysts

    DOE Patents [OSTI]

    Dosch, Robert G. (Albuquerque, NM); Stephens, Howard P. (Albuquerque, NM)

    1995-01-01

    Thin film (<100 nm) hydrous metal oxide catalysts are prepared by 1) synthesis of a hydrous metal oxide, 2) deposition of the hydrous metal oxide upon an inert support surface, 3) ion exchange with catalytically active metals, and 4) activating the hydrous metal oxide catalysts.

  2. Chemically homogeneous and thermally reversible oxidation of...

    Office of Scientific and Technical Information (OSTI)

    Chemically homogeneous and thermally reversible oxidation of epitaxial graphene Citation Details In-Document Search Title: Chemically homogeneous and thermally reversible oxidation ...

  3. Nanostructured Metal Oxide Anodes (Presentation)

    SciTech Connect (OSTI)

    Dillon, A. C.; Riley, L. A.; Lee, S.-H.; Kim, Y.-H.; Ban, C.; Gillaspie, D. T.; Pesaran, A.

    2009-05-01

    This summarizes NREL's FY09 battery materials research activity in developing metal oxide nanostructured anodes to enable high-energy, durable and affordable li-ion batteries for HEVs and PHEVs.

  4. Metal oxide nanostructures with hierarchical morphology

    DOE Patents [OSTI]

    Ren, Zhifeng (Newton, MA); Lao, Jing Yu (Saline, MI); Banerjee, Debasish (Ann Arbor, MI)

    2007-11-13

    The present invention relates generally to metal oxide materials with varied symmetrical nanostructure morphologies. In particular, the present invention provides metal oxide materials comprising one or more metallic oxides with three-dimensionally ordered nanostructural morphologies, including hierarchical morphologies. The present invention also provides methods for producing such metal oxide materials.

  5. Reactor process using metal oxide ceramic membranes

    DOE Patents [OSTI]

    Anderson, Marc A. (Madison, WI)

    1994-01-01

    A reaction vessel for use in photoelectrochemical reactions includes as its reactive surface a metal oxide porous ceramic membrane of a catalytic metal such as titanium. The reaction vessel includes a light source and a counter electrode. A provision for applying an electrical bias between the membrane and the counter electrode permits the Fermi levels of potential reaction to be favored so that certain reactions may be favored in the vessel. The electrical biasing is also useful for the cleaning of the catalytic membrane. Also disclosed is a method regenerating a porous metal oxide ceramic membrane used in a photoelectrochemical catalytic process by periodically removing the reactants and regenerating the membrane using a variety of chemical, thermal, and electrical techniques.

  6. Reactor process using metal oxide ceramic membranes

    DOE Patents [OSTI]

    Anderson, M.A.

    1994-05-03

    A reaction vessel for use in photoelectrochemical reactions includes as its reactive surface a metal oxide porous ceramic membrane of a catalytic metal such as titanium. The reaction vessel includes a light source and a counter electrode. A provision for applying an electrical bias between the membrane and the counter electrode permits the Fermi levels of potential reaction to be favored so that certain reactions may be favored in the vessel. The electrical biasing is also useful for the cleaning of the catalytic membrane. Also disclosed is a method regenerating a porous metal oxide ceramic membrane used in a photoelectrochemical catalytic process by periodically removing the reactants and regenerating the membrane using a variety of chemical, thermal, and electrical techniques. 2 figures.

  7. Synthesis of Metal-Metal Oxide Catalysts and Electrocatalysts...

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

    Synthesis of Metal-Metal Oxide Catalysts and Electrocatalysts Brookhaven National Laboratory Contact BNL About This Technology Publications: PDF Document Publication...

  8. Method for plating with metal oxides

    DOE Patents [OSTI]

    Silver, Gary L. (Centerville, OH); Martin, Frank S. (Farmersville, OH)

    1994-08-23

    A method of plating hydrous metal oxides on at least one substrate, which method is indifferent to the electrochemical properties of the substrate, and comprises reacting metallic ions in aqueous solution with an appropriate oxidizing agent such as sodium hypochlorite or calcium sulfite with oxygen under suitable conditions of pH and concentration such that oxidation and precipitation of metal oxide are sufficiently slow to allow satisfactory plating of metal oxide on the substrate.

  9. Method for plating with metal oxides

    DOE Patents [OSTI]

    Silver, G.L.; Martin, F.S.

    1994-08-23

    A method is disclosed of plating hydrous metal oxides on at least one substrate, which method is indifferent to the electrochemical properties of the substrate, and comprises reacting metallic ions in aqueous solution with an appropriate oxidizing agent such as sodium hypochlorite or calcium sulfite with oxygen under suitable conditions of pH and concentration such that oxidation and precipitation of metal oxide are sufficiently slow to allow satisfactory plating of metal oxide on the substrate. 1 fig.

  10. Metal Oxide Semiconductor Nanoparticles Open the Door to New Medical

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

    Innovations | Argonne National Laboratory Metal Oxide Semiconductor Nanoparticles Open the Door to New Medical Innovations Technology available for licensing: novel nanometer-sized metal oxide semiconductors that allow targeting, initiating and control of in vitro and in vivo chemical reactions in biological molecules, such as DNA, proteins, and antibodies. Allows for targeting, initiation and control of in vitro and in vivo chemical reactions in biological molecules Commercial applications

  11. Preparation of uniform nanoparticles of ultra-high purity metal oxides, mixed metal oxides, metals, and metal alloys

    DOE Patents [OSTI]

    Woodfield, Brian F.; Liu, Shengfeng; Boerio-Goates, Juliana; Liu, Qingyuan; Smith, Stacey Janel

    2012-07-03

    In preferred embodiments, metal nanoparticles, mixed-metal (alloy) nanoparticles, metal oxide nanoparticles and mixed-metal oxide nanoparticles are provided. According to embodiments, the nanoparticles may possess narrow size distributions and high purities. In certain preferred embodiments, methods of preparing metal nanoparticles, mixed-metal nanoparticles, metal oxide nanoparticles and mixed-metal nanoparticles are provided. These methods may provide tight control of particle size, size distribution, and oxidation state. Other preferred embodiments relate to a precursor material that may be used to form nanoparticles. In addition, products prepared from such nanoparticles are disclosed.

  12. Project Profile: High Performance Reduction/Oxidation Metal Oxides for

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

    Thermochemical Energy Storage | Department of Energy Project Profile: High Performance Reduction/Oxidation Metal Oxides for Thermochemical Energy Storage Project Profile: High Performance Reduction/Oxidation Metal Oxides for Thermochemical Energy Storage Sandia National Laboratory Logo Sandia National Lab (Sandia), through the Concentrating Solar Power: Efficiently Leveraging Equilibrium Mechanisms for Engineering New Thermochemical Storage (CSP: ELEMENTS) funding program, is systematically

  13. Nanostructured transition metal oxides useful for water oxidation catalysis

    DOE Patents [OSTI]

    Frei, Heinz M; Jiao, Feng

    2013-12-24

    The present invention provides for a composition comprising a nanostructured transition metal oxide capable of oxidizing two H.sub.2O molecules to obtain four protons. In some embodiments of the invention, the composition further comprises a porous matrix wherein the nanocluster of the transition metal oxide is embedded on and/or in the porous matrix.

  14. Ammonia release method for depositing metal oxides

    DOE Patents [OSTI]

    Silver, Gary L. (Centerville, OH); Martin, Frank S. (Farmersville, OH)

    1994-12-13

    A method of depositing metal oxides on substrates which is indifferent to the electrochemical properties of the substrates and which comprises forming ammine complexes containing metal ions and thereafter effecting removal of ammonia from the ammine complexes so as to permit slow precipitation and deposition of metal oxide on the substrates.

  15. Ammonia release method for depositing metal oxides

    DOE Patents [OSTI]

    Silver, G.L.; Martin, F.S.

    1994-12-13

    A method is described for depositing metal oxides on substrates which is indifferent to the electrochemical properties of the substrates and which comprises forming ammine complexes containing metal ions and thereafter effecting removal of ammonia from the ammine complexes so as to permit slow precipitation and deposition of metal oxide on the substrates. 1 figure.

  16. Method for producing metal oxide nanoparticles

    DOE Patents [OSTI]

    Phillips, Jonathan (Santa Fe, NM); Mendoza, Daniel (Santa Fe, NM); Chen, Chun-Ku (Albuquerque, NM)

    2008-04-15

    Method for producing metal oxide nanoparticles. The method includes generating an aerosol of solid metallic microparticles, generating plasma with a plasma hot zone at a temperature sufficiently high to vaporize the microparticles into metal vapor, and directing the aerosol into the hot zone of the plasma. The microparticles vaporize in the hot zone into metal vapor. The metal vapor is directed away from the hot zone and into the cooler plasma afterglow where it oxidizes, cools and condenses to form solid metal oxide nanoparticles.

  17. Metal oxide composite dosimeter method and material

    DOE Patents [OSTI]

    Miller, Steven D. (Richland, WA)

    1998-01-01

    The present invention is a method of measuring a radiation dose wherein a radiation responsive material consisting essentially of metal oxide is first exposed to ionizing radiation. The metal oxide is then stimulating with light thereby causing the radiation responsive material to photoluminesce. Photons emitted from the metal oxide as a result of photoluminescence may be counted to provide a measure of the ionizing radiation.

  18. Reduction of Metal Oxide to Metal using Ionic Liquids

    SciTech Connect (OSTI)

    Dr. Ramana Reddy

    2012-04-12

    A novel pathway for the high efficiency production of metal from metal oxide means of electrolysis in ionic liquids at low temperature was investigated. The main emphasis was to eliminate the use of carbon and high temperature application in the reduction of metal oxides to metals. The emphasis of this research was to produce metals such as Zn, and Pb that are normally produced by the application of very high temperatures. The reduction of zinc oxide to zinc and lead oxide to lead were investigated. This study involved three steps in accomplishing the final goal of reduction of metal oxide to metal using ionic liquids: 1) Dissolution of metal oxide in an ionic liquid, 2) Determination of reduction potential using cyclic voltammetry (CV) and 3) Reduction of the dissolved metal oxide. Ionic liquids provide additional advantage by offering a wide potential range for the deposition. In each and every step of the process, more than one process variable has been examined. Experimental results for electrochemical extraction of Zn from ZnO and Pb from PbO using eutectic mixtures of Urea ((NH2)2CO) and Choline chloride (HOC2H4N(CH3)3+Cl-) or (ChCl) in a molar ratio 2:1, varying voltage and temperatures were carried out. Fourier Transform Infra-Red (FTIR) spectroscopy studies of ionic liquids with and without metal oxide additions were conducted. FTIR and induction coupled plasma spectroscopy (ICPS) was used in the characterization of the metal oxide dissolved ionic liquid. Electrochemical experiments were conducted using EG&G potentiostat/galvanostat with three electrode cell systems. Cyclic voltammetry was used in the determination of reduction potentials for the deposition of metals. Chronoamperometric experiments were carried out in the potential range of -0.6V to -1.9V for lead and -1.4V to -1.9V for zinc. The deposits were characterized using XRD and SEM-EDS for phase, morphological and elemental analysis. The results showed that pure metal was deposited on the cathode. Successful extraction of metal from metal oxide dissolved in Urea/ChCl (2:1) was accomplished. The current efficiencies were relatively high in both the metal deposition processes with current efficiency greater than 86% for lead and 95% for zinc. This technology will advance the metal oxide reduction process by increasing the process efficiency and also eliminate the production of CO2 which makes this an environmentally benign technology for metal extraction.

  19. Metal-oxide-based energetic materials and synthesis thereof

    DOE Patents [OSTI]

    Tillotson, Thomas M. (Tracy, CA), Simpson; Randall L. (Livermore, CA); Hrubesh, Lawrence W. (Pleasanton, CA)

    2006-01-17

    A method of preparing energetic metal-oxide-based energetic materials using sol-gel chemistry has been invented. The wet chemical sol-gel processing provides an improvement in both safety and performance. Essentially, a metal-oxide oxidizer skeletal structure is prepared from hydrolyzable metals (metal salts or metal alkoxides) with fuel added to the sol prior to gelation or synthesized within the porosity metal-oxide gel matrix. With metal salt precursors a proton scavenger is used to destabilize the sol and induce gelation. With metal alkoxide precursors standard well-known sol-gel hydrolysis and condensation reactions are used. Drying is done by standard sol-gel practices, either by a slow evaporation of the liquid residing within the pores to produce a high density solid nanocomposite, or by supercritical extraction to produce a lower density, high porous nanocomposite. Other ingredients may be added to this basic nanostructure to change physical and chemical properties, which include organic constituents for binders or gas generators during reactions, burn rate modifiers, or spectral emitters.

  20. Metal-assisted chemical etch porous silicon formation method

    DOE Patents [OSTI]

    Li, Xiuling; Bohn, Paul W.; Sweedler, Jonathan V.

    2004-09-14

    A thin discontinuous layer of metal such as Au, Pt, or Au/Pd is deposited on a silicon surface. The surface is then etched in a solution including HF and an oxidant for a brief period, as little as a couple seconds to one hour. A preferred oxidant is H.sub.2 O.sub.2. Morphology and light emitting properties of porous silicon can be selectively controlled as a function of the type of metal deposited, Si doping type, silicon doping level, and/or etch time. Electrical assistance is unnecessary during the chemical etching of the invention, which may be conducted in the presence or absence of illumination.

  1. Nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Aksay, Ilhan A.; Choi, Daiwon; Wang, Donghai; Yang, Zhenguo

    2013-10-15

    Nanocomposite materials comprising a metal oxide bonded to at least one graphene material. The nanocomposite materials exhibit a specific capacity of at least twice that of the metal oxide material without the graphene at a charge/discharge rate greater than about 10 C.

  2. Nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Aksay, Ilhan A.; Choi, Daiwon; Wang, Donghai; Yang, Zhenguo

    2012-09-04

    Nanocomposite materials comprising a metal oxide bonded to at least one graphene material. The nanocomposite materials exhibit a specific capacity of at least twice that of the metal oxide material without the graphene at a charge/discharge rate greater than about 10C.

  3. Nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Aksay, Ilhan A.; Choi, Daiwon; Wang, Donghai; Yang, Zhenguo

    2015-06-30

    Nanocomposite materials comprising a metal oxide bonded to at least one graphene material. The nanocomposite materials exhibit a specific capacity of at least twice that of the metal oxide material without the graphene at a charge/discharge rate greater than about 10 C.

  4. Method for making monolithic metal oxide aerogels

    DOE Patents [OSTI]

    Droege, M.W.; Coronado, P.R.; Hair, L.M.

    1995-03-07

    Transparent, monolithic metal oxide aerogels of varying densities are produced using a method in which a metal alkoxide solution and a catalyst solution are prepared separately and reacted. The resulting hydrolyzed-condensed colloidal solution is gelled, and the wet gel is contained within a sealed, but gas permeable, containment vessel during supercritical extraction of the solvent. The present invention is especially advantageous for making metal oxides other than silica that are prone to forming opaque, cracked aerogels. 6 figs.

  5. Method for making monolithic metal oxide aerogels

    DOE Patents [OSTI]

    Droege, Michael W. (Livermore, CA); Coronado, Paul R. (Livermore, CA); Hair, Lucy M. (Livermore, CA)

    1995-01-01

    Transparent, monolithic metal oxide aerogels of varying densities are produced using a method in which a metal alkoxide solution and a catalyst solution are prepared separately and reacted. The resulting hydrolyzed-condensed colloidal solution is gelled, and the wet gel is contained within a sealed, but gas permeable, containment vessel during supercritical extraction of the solvent. The present invention is especially advantageous for making metal oxides other than silica that are prone to forming opaque, cracked aerogels.

  6. Three-Electrode Metal Oxide Reduction Cell

    DOE Patents [OSTI]

    Dees, Dennis W.; Ackerman, John P.

    2005-06-28

    A method of electrochemically reducing a metal oxide to the metal in an electrochemical cell is disclosed along with the cell. Each of the anode and cathode operate at their respective maximum reaction rates. An electrolyte and an anode at which oxygen can be evolved, and a cathode including a metal oxide to be reduced are included as is a third electrode with independent power supplies connecting the anode and the third electrode and the cathode and the third electrode.

  7. Three-electrode metal oxide reduction cell

    DOE Patents [OSTI]

    Dees, Dennis W.; Ackerman, John P.

    2008-08-12

    A method of electrochemically reducing a metal oxide to the metal in an electrochemical cell is disclosed along with the cell. Each of the anode and cathode operate at their respective maximum reaction rates. An electrolyte and an anode at which oxygen can be evolved, and a cathode including a metal oxide to be reduced are included as is a third electrode with independent power supplies connecting the anode and the third electrode and the cathode and the third electrode.

  8. Direct electrochemical reduction of metal-oxides

    DOE Patents [OSTI]

    Redey, Laszlo I.; Gourishankar, Karthick

    2003-01-01

    A method of controlling the direct electrolytic reduction of a metal oxide or mixtures of metal oxides to the corresponding metal or metals. A non-consumable anode and a cathode and a salt electrolyte with a first reference electrode near the non-consumable anode and a second reference electrode near the cathode are used. Oxygen gas is produced and removed from the cell. The anode potential is compared to the first reference electrode to prevent anode dissolution and gas evolution other than oxygen, and the cathode potential is compared to the second reference electrode to prevent production of reductant metal from ions in the electrolyte.

  9. Methods of producing adsorption media including a metal oxide

    DOE Patents [OSTI]

    Mann, Nicholas R; Tranter, Troy J

    2014-03-04

    Methods of producing a metal oxide are disclosed. The method comprises dissolving a metal salt in a reaction solvent to form a metal salt/reaction solvent solution. The metal salt is converted to a metal oxide and a caustic solution is added to the metal oxide/reaction solvent solution to adjust the pH of the metal oxide/reaction solvent solution to less than approximately 7.0. The metal oxide is precipitated and recovered. A method of producing adsorption media including the metal oxide is also disclosed, as is a precursor of an active component including particles of a metal oxide.

  10. Monolithic Metal Oxide based Composite Nanowire Lean NOx Emission...

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

    Monolithic Metal Oxide based Composite Nanowire Lean NOx Emission Control Catalysts Monolithic Metal Oxide based Composite Nanowire Lean NOx Emission Control Catalysts Presents...

  11. Patent: Microbial-mediated method for metal oxide nanoparticle formation |

    Office of Scientific and Technical Information (OSTI)

    DOEpatents Microbial-mediated method for metal oxide nanoparticle formation Citation Details Title: Microbial-mediated method for metal oxide nanoparticle formation

  12. Lithium metal oxide electrodes for lithium batteries

    DOE Patents [OSTI]

    Thackeray, Michael M. (Naperville, IL); Kim, Jeom-Soo (Naperville, IL); Johnson, Christopher S. (Naperville, IL)

    2008-01-01

    An uncycled electrode for a non-aqueous lithium electrochemical cell including a lithium metal oxide having the formula Li.sub.(2+2x)/(2+x)M'.sub.2x/(2+x)M.sub.(2-2x)/(2+x)O.sub.2-.delta., in which 0.ltoreq.x<1 and .delta. is less than 0.2, and in which M is a non-lithium metal ion with an average trivalent oxidation state selected from two or more of the first row transition metals or lighter metal elements in the periodic table, and M' is one or more ions with an average tetravalent oxidation state selected from the first and second row transition metal elements and Sn. Methods of preconditioning the electrodes are disclosed as are electrochemical cells and batteries containing the electrodes.

  13. Process for etching mixed metal oxides

    DOE Patents [OSTI]

    Ashby, C.I.H.; Ginley, D.S.

    1994-10-18

    An etching process is described using dicarboxylic and tricarboxylic acids as chelating etchants for mixed metal oxide films such as high temperature superconductors and ferroelectric materials. Undesirable differential etching rates between different metal oxides are avoided by selection of the proper acid or combination of acids. Feature sizes below one micron, excellent quality vertical edges, and film thicknesses in the 100 Angstrom range may be achieved by this method. 1 fig.

  14. Process for etching mixed metal oxides

    DOE Patents [OSTI]

    Ashby, Carol I. H. (Edgewood, NM); Ginley, David S. (Evergreen, CO)

    1994-01-01

    An etching process using dicarboxylic and tricarboxylic acids as chelating etchants for mixed metal oxide films such as high temperature superconductors and ferroelectric materials. Undesirable differential etching rates between different metal oxides are avoided by selection of the proper acid or combination of acids. Feature sizes below one micron, excellent quality vertical edges, and film thicknesses in the 100 Angstom range may be achieved by this method.

  15. High surface area, electrically conductive nanocarbon-supported metal oxide

    DOE Patents [OSTI]

    Worsley, Marcus A.; Han, Thomas Yong-Jin; Kuntz, Joshua D.; Cervantes, Octavio; Gash, Alexander E.; Baumann, Theodore F.; Satcher, Jr., Joe H.

    2015-07-14

    A metal oxide-carbon composite includes a carbon aerogel with an oxide overcoat. The metal oxide-carbon composite is made by providing a carbon aerogel, immersing the carbon aerogel in a metal oxide sol under a vacuum, raising the carbon aerogel with the metal oxide sol to atmospheric pressure, curing the carbon aerogel with the metal oxide sol at room temperature, and drying the carbon aerogel with the metal oxide sol to produce the metal oxide-carbon composite. The step of providing a carbon aerogel can provide an activated carbon aerogel or provide a carbon aerogel with carbon nanotubes that make the carbon aerogel mechanically robust.

  16. High surface area, electrically conductive nanocarbon-supported metal oxide

    DOE Patents [OSTI]

    Worsley, Marcus A; Han, Thomas Yong-Jin; Kuntz, Joshua D; Cervanted, Octavio; Gash, Alexander E; Baumann, Theodore F; Satcher, Jr., Joe H

    2014-03-04

    A metal oxide-carbon composite includes a carbon aerogel with an oxide overcoat. The metal oxide-carbon composite is made by providing a carbon aerogel, immersing the carbon aerogel in a metal oxide sol under a vacuum, raising the carbon aerogel with the metal oxide sol to atmospheric pressure, curing the carbon aerogel with the metal oxide sol at room temperature, and drying the carbon aerogel with the metal oxide sol to produce the metal oxide-carbon composite. The step of providing a carbon aerogel can provide an activated carbon aerogel or provide a carbon aerogel with carbon nanotubes that make the carbon aerogel mechanically robust.

  17. Method for making monolithic metal oxide aerogels

    DOE Patents [OSTI]

    Coronado, Paul R. (Livermore, CA)

    1999-01-01

    Transparent, monolithic metal oxide aerogels of varying densities are produced using a method in which a metal alkoxide solution and a catalyst solution are prepared separately and reacted. The resulting hydrolyzed-condensed colloidal solution is gelled, and the wet gel is contained within a sealed, but gas permeable, containment vessel during supercritical extraction of the solvent. The containment vessel is enclosed within an aqueous atmosphere that is above the supercritical temperature and pressure of the solvent of the metal alkoxide solution.

  18. Lithium metal oxide electrodes for lithium batteries

    DOE Patents [OSTI]

    Thackeray, Michael M.; Johnson, Christopher S.; Amine, Khalil; Kang, Sun-Ho

    2010-06-08

    An uncycled preconditioned electrode for a non-aqueous lithium electrochemical cell including a lithium metal oxide having the formula xLi.sub.2-yH.sub.yO.xM'O.sub.2.(1-x)Li.sub.1-zH.sub.zMO.sub.2 in which 0metal ion with an average trivalent oxidation state selected from two or more of the first row transition metals or lighter metal elements in the periodic table, and M' is one or more ions with an average tetravalent oxidation state selected from the first and second row transition metal elements and Sn. The xLi.sub.2-yH.sub.y.xM'O.sub.2.(1-x)Li.sub.1-zH.sub.zMO.sub.2 material is prepared by preconditioning a precursor lithium metal oxide (i.e., xLi.sub.2M'O.sub.3.(1-x)LiMO.sub.2) with a proton-containing medium with a pH<7.0 containing an inorganic acid. Methods of preparing the electrodes are disclosed, as are electrochemical cells and batteries containing the electrodes.

  19. Chemical segregation in metallic glass nanowires

    SciTech Connect (OSTI)

    Zhang, Qi; Li, Mo; Li, Qi-Kai

    2014-11-21

    Nanowires made of metallic glass have been actively pursued recently due to the superb and unique properties over those of the crystalline materials. The amorphous nanowires are synthesized either at high temperature or via mechanical disruption using focused ion beam. These processes have potential to cause significant changes in structure and chemical concentration, as well as formation of defect or imperfection, but little is known to date about the possibilities and mechanisms. Here, we report chemical segregation to surfaces and its mechanisms in metallic glass nanowires made of binary Cu and Zr elements from molecular dynamics simulation. Strong concentration deviation are found in the nanowires under the conditions similar to these in experiment via focused ion beam processing, hot imprinting, and casting by rapid cooling from liquid state. Our analysis indicates that non-uniform internal stress distribution is a major cause for the chemical segregation, especially at low temperatures. Extension is discussed for this observation to multicomponent metallic glass nanowires as well as the potential applications and side effects of the composition modulation. The finding also points to the possibility of the mechanical-chemical process that may occur in different settings such as fracture, cavitation, and foams where strong internal stress is present in small length scales.

  20. Metal sulfide initiators for metal oxide sorbent regeneration

    DOE Patents [OSTI]

    Turk, B.S.; Gupta, R.P.

    1999-06-22

    A process of regenerating a sulfided sorbent is provided. According to the process of the invention, a substantial portion of the energy necessary to initiate the regeneration reaction is provided by the combustion of a particulate metal sulfide additive. In using the particulate metal sulfide additive, the oxygen-containing gas used to regenerate the sulfided sorbent can be fed to the regeneration zone without heating or at a lower temperature than used in conventional processes wherein the regeneration reaction is initiated only by heating the oxygen-containing gas. The particulate metal sulfide additive is preferably an inexpensive mineral ore such as iron pyrite which does not adversely affect the regeneration or corresponding desulfurization reactions. The invention further includes a sorbent composition comprising the particulate metal sulfide additive in admixture with an active metal oxide sorbent capable of removing one or more sulfur compounds from a sulfur-containing gas stream. 1 fig.

  1. Metal sulfide initiators for metal oxide sorbent regeneration

    DOE Patents [OSTI]

    Turk, Brian S. (Durham, NC); Gupta, Raghubir P. (Durham, NC)

    2001-01-01

    A process of regenerating a sulfided sorbent is provided. According to the process of the invention, a substantial portion of the energy necessary to initiate the regeneration reaction is provided by the combustion of a particulate metal sulfide additive. In using the particulate metal sulfide additive, the oxygen-containing gas used to regenerate the sulfided sorbent can be fed to the regeneration zone without heating or at a lower temperature than used in conventional processes wherein the regeneration reaction is initiated only by heating the oxygen-containing gas. The particulate metal sulfide additive is preferably an inexpensive mineral ore such as iron pyrite which does not adversely affect the regeneration or corresponding desulfurization reactions. The invention further includes a sorbent composition comprising the particulate metal sulfide additive in admixture with an active metal oxide sorbent capable of removing one or more sulfur compounds from a sulfur-containing gas stream.

  2. Metal sulfide initiators for metal oxide sorbent regeneration

    DOE Patents [OSTI]

    Turk, Brian S. (Durham, NC); Gupta, Raghubir P. (Durham, NC)

    1999-01-01

    A process of regenerating a sulfided sorbent is provided. According to the process of the invention, a substantial portion of the energy necessary to initiate the regeneration reaction is provided by the combustion of a particulate metal sulfide additive. In using the particulate metal sulfide additive, the oxygen-containing gas used to regenerate the sulfided sorbent can be fed to the regeneration zone without heating or at a lower temperature than used in conventional processes wherein the regeneration reaction is initiated only by heating the oxygen-containing. The particulate metal sulfide additive is preferably an inexpensive mineral ore such as iron pyrite which does not adversely affect the regeneration or corresponding desulfurization reactions. The invention further includes a sorbent composition comprising the particulate metal sulfide additive in admixture with an active metal oxide sorbent capable of removing one or more sulfur compounds from a sulfur-containing gas stream.

  3. Reduction of metal oxides through mechanochemical processing

    DOE Patents [OSTI]

    Froes, Francis H. (Moscow, ID); Eranezhuth, Baburaj G. (Moscow, ID); Senkov, Oleg N. (Moscow, ID)

    2000-01-01

    The low temperature reduction of a metal oxide using mechanochemical processing techniques. The reduction reactions are induced mechanically by milling the reactants. In one embodiment of the invention, titanium oxide TiO.sub.2 is milled with CaH.sub.2 to produce TiH.sub.2. Low temperature heat treating, in the range of 400.degree. C. to 700.degree. C., can be used to remove the hydrogen in the titanium hydride.

  4. Chemical vapor deposition of group IIIB metals

    DOE Patents [OSTI]

    Erbil, A.

    1989-11-21

    Coatings of Group IIIB metals and compounds thereof are formed by chemical vapor deposition, in which a heat decomposable organometallic compound of the formula given in the patent where M is a Group IIIB metal, such as lanthanum or yttrium and R is a lower alkyl or alkenyl radical containing from 2 to about 6 carbon atoms, with a heated substrate which is above the decomposition temperature of the organometallic compound. The pure metal is obtained when the compound of the formula 1 is the sole heat decomposable compound present and deposition is carried out under nonoxidizing conditions. Intermetallic compounds such as lanthanum telluride can be deposited from a lanthanum compound of formula 1 and a heat decomposable tellurium compound under nonoxidizing conditions.

  5. Chemical vapor deposition of group IIIB metals

    DOE Patents [OSTI]

    Erbil, Ahmet (Atlanta, GA)

    1989-01-01

    Coatings of Group IIIB metals and compounds thereof are formed by chemical vapor deposition, in which a heat decomposable organometallic compound of the formula (I) ##STR1## where M is a Group IIIB metal, such as lanthanum or yttrium and R is a lower alkyl or alkenyl radical containing from 2 to about 6 carbon atoms, with a heated substrate which is above the decomposition temperature of the organometallic compound. The pure metal is obtained when the compound of the formula I is the sole heat decomposable compound present and deposition is carried out under nonoxidizing conditions. Intermetallic compounds such as lanthanum telluride can be deposited from a lanthanum compound of formula I and a heat decomposable tellurium compound under nonoxidizing conditions.

  6. Nanostructured Metal Oxide Anodes | Department of Energy

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

    10 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C. PDF icon es064_dillon_2010_p.pdf More Documents & Publications Atomic Layer Deposition for Stabilization of Amorphous Silicon Anodes Nanostructured Metal Oxide Anodes Novel Lithium Ion Anode Structures: Overview of New DOE BATT Anode Projects

  7. Superconductors and Complex Transition Metal Oxides for Tunable...

    Office of Scientific and Technical Information (OSTI)

    Superconductors and Complex Transition Metal Oxides for Tunable THz Plasmonic Metamaterials Citation Details In-Document Search Title: Superconductors and Complex Transition Metal...

  8. Chemical enhancement of metallized zinc anode performance

    SciTech Connect (OSTI)

    Bennett, J.

    1998-12-31

    Galvanic current delivered to reinforced concrete by a metallized zinc anode was studied relative to the humidity of its environment and periodic direct wetting. Current decreased quickly at low humidity to values unlikely to meet accepted cathodic protection criteria, but could be easily restored by direct wetting of the anode. Thirteen chemicals were screened for their ability to enhance galvanic current. Such chemicals, when applied to the exterior surface of the anode, are easily transported by capillary action to the anode-concrete interface where they serve to maintain the interface conductive and the zinc electrochemically active. The most effective chemicals were potassium and lithium bromide, acetate, chloride and nitrate, which increased galvanic current by a factor of 2--15, depending on relative humidity and chloride contamination of the concrete. This new technique is expected to greatly expand the number of concrete structures which can be protected by simple galvanic cathodic protection, The use of lithium-based chemicals together with metallized zinc anode is also proposed for mitigation of existing problems due to ASR. In this case, lithium which prevents or inhibits expansion due to ASR can be readily injected into the concrete. A new process, electrochemical maintenance of concrete (EMC), is also proposed to benefit reinforced concrete structures suffering from chloride-induced corrosion.

  9. Method for producing nanostructured metal-oxides

    DOE Patents [OSTI]

    Tillotson, Thomas M.; Simpson, Randall L.; Hrubesh, Lawrence W.; Gash, Alexander

    2006-01-17

    A synthetic route for producing nanostructure metal-oxide-based materials using sol-gel processing. This procedure employs the use of stable and inexpensive hydrated-metal inorganic salts and environmentally friendly solvents such as water and ethanol. The synthesis involves the dissolution of the metal salt in a solvent followed by the addition of a proton scavenger, which induces gel formation in a timely manner. Both critical point (supercritical extraction) and atmospheric (low temperature evaporation) drying may be employed to produce monolithic aerogels and xerogels, respectively. Using this method synthesis of metal-oxide nanostructured materials have been carried out using inorganic salts, such as of Fe.sup.3+, Cr.sup.3+, Al.sup.3+, Ga.sup.3+, In.sup.3+, Hf.sup.4+, Sn.sup.4+, Zr.sup.4+, Nb.sup.5+, W.sup.6+, Pr.sup.3+, Er.sup.3+, Nd.sup.3+, Ce.sup.3+, U.sup.3+ and Y.sup.3+. The process is general and nanostructured metal-oxides from the following elements of the periodic table can be made: Groups 2 through 13, part of Group 14 (germanium, tin, lead), part of Group 15 (antimony, bismuth), part of Group 16 (polonium), and the lanthanides and actinides. The sol-gel processing allows for the addition of insoluble materials (e.g., metals or polymers) to the viscous sol, just before gelation, to produce a uniformly distributed nanocomposites upon gelation. As an example, energetic nanocomposites of Fe.sub.xO.sub.y gel with distributed Al metal are readily made. The compositions are stable, safe, and can be readily ignited to thermitic reaction.

  10. Microbial-mediated method for metal oxide nanoparticle formation (Patent) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Microbial-mediated method for metal oxide nanoparticle formation Citation Details In-Document Search Title: Microbial-mediated method for metal oxide nanoparticle formation The invention is directed to a method for producing metal oxide nanoparticles, the method comprising: (i) subjecting a combination of reaction components to conditions conducive to microbial-mediated formation of metal oxide nanoparticles, wherein said combination of reaction components comprise:

  11. Reactor vessel using metal oxide ceramic membranes

    DOE Patents [OSTI]

    Anderson, Marc A. (Madison, WI); Zeltner, Walter A. (Oregon, WI)

    1992-08-11

    A reaction vessel for use in photoelectrochemical reactions includes as its reactive surface a metal oxide porous ceramic membrane of a catalytic metal such as titanium. The reaction vessel includes a light source and a counter electrode. A provision for applying an electrical bias between the membrane and the counter electrode permits the Fermi levels of potential reaction to be favored so that certain reactions may be favored in the vessel. The electrical biasing is also useful for the cleaning of the catalytic membrane.

  12. Synthesis of metal silicide at metal/silicon oxide interface by electronic

    Office of Scientific and Technical Information (OSTI)

    excitation (Journal Article) | SciTech Connect Synthesis of metal silicide at metal/silicon oxide interface by electronic excitation Citation Details In-Document Search Title: Synthesis of metal silicide at metal/silicon oxide interface by electronic excitation The synthesis of metal silicide at the metal/silicon oxide interface by electronic excitation was investigated using transmission electron microscopy. A platinum silicide, α-Pt{sub 2}Si, was successfully formed at the

  13. Metal oxide and metal fluoride nanostructures and methods of making same

    DOE Patents [OSTI]

    Wong, Stanislaus S. (Stony Brook, NY); Mao, Yuanbing (Los Angeles, CA)

    2009-08-18

    The present invention includes pure single-crystalline metal oxide and metal fluoride nanostructures, and methods of making same. These nanostructures include nanorods and nanoarrays.

  14. Thermal barrier and overlay coating systems comprising composite metal/metal oxide bond coating layers

    DOE Patents [OSTI]

    Goedjen, John G. (Oviedo, FL); Sabol, Stephen M. (Orlando, FL); Sloan, Kelly M. (Longwood, FL); Vance, Steven J. (Orlando, FL)

    2001-01-01

    The present invention generally describes multilayer coating systems comprising a composite metal/metal oxide bond coat layer. The coating systems may be used in gas turbines.

  15. Method for producing metal oxide aerogels

    DOE Patents [OSTI]

    Tillotson, Thomas M. (Tracy, CA); Poco, John F. (Livermore, CA); Hrubesh, Lawrence W. (Pleasanton, CA); Thomas, Ian M. (Livermore, CA)

    1995-01-01

    A two-step hydrolysis-condensation method was developed to form metal oxide aerogels of any density, including densities of less than 0.003g/cm.sup.3 and greater than 0.27g/cm.sup.3. High purity metal alkoxide is reacted with water, alcohol solvent, and an additive to form a partially condensed metal intermediate. All solvent and reaction-generated alcohol is removed, and the intermediate is diluted with a nonalcoholic solvent. The intermediate can be stored for future use to make aerogels of any density. The aerogels are formed by reacting the intermediate with water, nonalcoholic solvent, and a catalyst, and extracting the nonalcoholic solvent directly. The resulting monolithic aerogels are hydrophobic and stable under atmospheric conditions, and exhibit good optical transparency, high clarity, and homogeneity. The aerogels have high thermal insulation capacity, high porosity, mechanical strength and stability, and require shorter gelation times than aerogels formed by conventional methods.

  16. Method for producing metal oxide aerogels

    DOE Patents [OSTI]

    Tillotson, T.M.; Poco, J.F.; Hrubesh, L.W.; Thomas, I.M.

    1995-04-25

    A two-step hydrolysis-condensation method was developed to form metal oxide aerogels of any density, including densities of less than 0.003g/cm{sup 3} and greater than 0.27g/cm{sup 3}. High purity metal alkoxide is reacted with water, alcohol solvent, and an additive to form a partially condensed metal intermediate. All solvent and reaction-generated alcohol is removed, and the intermediate is diluted with a nonalcoholic solvent. The intermediate can be stored for future use to make aerogels of any density. The aerogels are formed by reacting the intermediate with water, nonalcoholic solvent, and a catalyst, and extracting the nonalcoholic solvent directly. The resulting monolithic aerogels are hydrophobic and stable under atmospheric conditions, and exhibit good optical transparency, high clarity, and homogeneity. The aerogels have high thermal insulation capacity, high porosity, mechanical strength and stability, and require shorter gelation times than aerogels formed by conventional methods. 8 figs.

  17. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

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

    Ma, Wen; Senanayake, Sanjaya D.; Herbert, F. William; Yildiz, Bilge

    2015-03-11

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr1+, Zr2+, and Zr3+ as non-equilibrium oxidation states, in addition to Zr4+ in the stoichiometric ZrO2. This finding resolves the long-debated question of whether it is possible to form any valence states between Zr0 and Zr4+ at the metal-oxide interface. As a result, the presence of local strong electric fields andmore » the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr.« less

  18. Method for inhibiting oxidation of metal sulfide-containing material

    DOE Patents [OSTI]

    Elsetinow, Alicia; Borda, Michael J.; Schoonen, Martin A.; Strongin, Daniel R.

    2006-12-26

    The present invention provides means for inhibiting the oxidation of a metal sulfide-containing material, such as ore mine waste rock or metal sulfide taiulings, by coating the metal sulfide-containing material with an oxidation-inhibiting two-tail lipid coating (12) thereon, thereby inhibiting oxidation of the metal sulfide-containing material in acid mine drainage conditions. The lipids may be selected from phospholipids, sphingolipids, glycolipids and combinations thereof.

  19. Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides

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

    Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print "Ferroelectricity," by analogy to ferromagnetism, is defined as the presence of spontaneous electrical polarization in a material, often arising from distortions in the material's crystal structure. In oxides of the metals lead and bismuth, such distortions were for many years attributed to the existence of "lone pair" electrons: pairs of chemically inert, nonbonding valence electrons in hybrid orbitals

  20. Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides

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

    Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print "Ferroelectricity," by analogy to ferromagnetism, is defined as the presence of spontaneous electrical polarization in a material, often arising from distortions in the material's crystal structure. In oxides of the metals lead and bismuth, such distortions were for many years attributed to the existence of "lone pair" electrons: pairs of chemically inert, nonbonding valence electrons in hybrid orbitals

  1. Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides

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

    Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print "Ferroelectricity," by analogy to ferromagnetism, is defined as the presence of spontaneous electrical polarization in a material, often arising from distortions in the material's crystal structure. In oxides of the metals lead and bismuth, such distortions were for many years attributed to the existence of "lone pair" electrons: pairs of chemically inert, nonbonding valence electrons in hybrid orbitals

  2. Thermally stable crystalline mesoporous metal oxides with substantially uniform pores

    DOE Patents [OSTI]

    Wiesner, Ulrich; Orilall, Mahendra Christopher; Lee, Jinwoo; DiSalvo, Jr., Francis J

    2015-01-27

    Highly crystalline metal oxide-carbon composites, as precursors to thermally stable mesoporous metal oxides, are coated with a layer of amorphous carbon. Using a `one-pot` method, highly crystalline metal oxide-carbon composites are converted to thermally stable mesoporous metal oxides, having highly crystalline mesopore walls, without causing the concomitant collapse of the mesostructure. The `one-pot` method uses block copolymers with an sp or sp 2 hybridized carbon containing hydrophobic block as structure directing agents which converts to a sturdy, amorphous carbon material under appropriate heating conditions, providing an in-situ rigid support which maintains the pores of the oxides intact while crystallizing at temperatures as high as 1000 deg C. A highly crystalline metal oxide-carbon composite can be heated to produce a thermally stable mesoporous metal oxide consisting of a single polymorph.

  3. Polymer-assisted aqueous deposition of metal oxide films

    DOE Patents [OSTI]

    Li, DeQuan (Los Alamos, NM); Jia, Quanxi (Los Alamos, NM)

    2003-07-08

    An organic solvent-free process for deposition of metal oxide thin films is presented. The process includes aqueous solutions of necessary metal precursors and an aqueous solution of a water-soluble polymer. After a coating operation, the resultant coating is fired at high temperatures to yield optical quality metal oxide thin films.

  4. Preferential orientation of metal oxide superconducting materials

    DOE Patents [OSTI]

    Capone, Donald W. (Bolingbrook, IL); Poeppel, Roger B. (Glen Ellyn, IL)

    1991-01-01

    A polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0

  5. Metal oxide membranes for gas separation

    DOE Patents [OSTI]

    Anderson, M.A.; Webster, E.T.; Xu, Q.

    1994-08-30

    A method for formation of a microporous ceramic membrane onto a porous support includes placing a colloidal suspension of metal oxide particles on one side of the porous support and exposing the other side of the porous support to a drying stream of gas or a reactive gas stream so that the particles are deposited on the drying side of the support as a gel. The gel so deposited can be sintered to form a supported ceramic membrane having mean pore sizes less than 30 Angstroms and useful for ultrafiltration, reverse osmosis, or gas separation. 4 figs.

  6. Metal oxide membranes for gas separation

    DOE Patents [OSTI]

    Anderson, Marc A. (Madison, WI); Webster, Elizabeth T. (Madison, WI); Xu, Qunyin (Plainsboro, NJ)

    1994-01-01

    A method for permformation of a microporous ceramic membrane onto a porous support includes placing a colloidal suspension of metal oxide particles on one side of the porous support and exposing the other side of the porous support to a drying stream of gas or a reactive gas stream so that the particles are deposited on the drying side of the support as a gel. The gel so deposited can be sintered to form a supported ceramic membrane having mean pore sizes less than 30 Angstroms and useful for ultrafiltration, reverse osmosis, or gas separation.

  7. Detailed Chemical Kinetic Modeling of Cyclohexane Oxidation

    SciTech Connect (OSTI)

    Silke, E J; Pitz, W J; Westbrook, C K; Ribaucour, M

    2006-11-10

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of cyclohexane at both low and high temperatures. Reaction rate constant rules are developed for the low temperature combustion of cyclohexane. These rules can be used for in chemical kinetic mechanisms for other cycloalkanes. Since cyclohexane produces only one type of cyclohexyl radical, much of the low temperature chemistry of cyclohexane is described in terms of one potential energy diagram showing the reaction of cyclohexyl radical + O{sub 2} through five, six and seven membered ring transition states. The direct elimination of cyclohexene and HO{sub 2} from RO{sub 2} is included in the treatment using a modified rate constant of Cavallotti et al. Published and unpublished data from the Lille rapid compression machine, as well as jet-stirred reactor data are used to validate the mechanism. The effect of heat loss is included in the simulations, an improvement on previous studies on cyclohexane. Calculations indicated that the production of 1,2-epoxycyclohexane observed in the experiments can not be simulated based on the current understanding of low temperature chemistry. Possible 'alternative' H-atom isomerizations leading to different products from the parent O{sub 2}QOOH radical were included in the low temperature chemical kinetic mechanism and were found to play a significant role.

  8. Vehicle Technologies Office Merit Review 2015: Metal Oxide Nano...

    Office of Environmental Management (EM)

    based Monolithic Catalysts Monolithic Metal Oxide based Composite Nanowire Lean NOx Emission Control Catalysts Three-Dimensional Composite Nanostructures for Lean NOx...

  9. Additional capacities seen in metal oxide lithium-ion battery...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Additional capacities seen in metal oxide lithium-ion battery electrodes Citation Details In-Document Search Title: Additional ...

  10. Thermochemical cycle of a mixed metal oxide for augmentation...

    Office of Scientific and Technical Information (OSTI)

    Thermochemical cycle of a mixed metal oxide for augmentation of thermal energy storage in solid particles. Citation Details In-Document Search Title: Thermochemical cycle of a ...

  11. Method of producing solution-derived metal oxide thin films

    DOE Patents [OSTI]

    Boyle, Timothy J. (Albuquerque, NM); Ingersoll, David (Albuquerque, NM)

    2000-01-01

    A method of preparing metal oxide thin films by a solution method. A .beta.-metal .beta.-diketonate or carboxylate compound, where the metal is selected from groups 8, 9, 10, 11, and 12 of the Periodic Table, is solubilized in a strong Lewis base to form a homogeneous solution. This precursor solution forms within minutes and can be deposited on a substrate in a single layer or a multiple layers to form a metal oxide thin film. The substrate with the deposited thin film is heated to change the film from an amorphous phase to a ceramic metal oxide and cooled.

  12. Defect Chemistry and Plasmon Physics of Colloidal Metal Oxide Nanocrystals

    SciTech Connect (OSTI)

    Lounis, SD; Runnerstrorm, EL; Llordes, A; Milliron, DJ

    2014-05-01

    Plasmonic nanocrystals of highly doped metal oxides have seen rapid development in the past decade and represent a class of materials with unique optoelectronic properties. In this Perspective, we discuss doping mechanisms in metal oxides and the accompanying physics of free carrier scattering, both of which have implications in determining the properties of localized surface plasmon resonances (LSPRs) in these nanocrystals. The balance between activation and compensation of dopants limits the free carrier concentration of the most common metal oxides, placing a ceiling on the LSPR frequency. Furthermore, because of ionized impurity scattering of the oscillating plasma by dopant ions, scattering must be treated in a fundamentally different way in semiconductor metal oxide materials when compared with conventional metals. Though these effects are well-understood in bulk metal oxides, further study is needed to understand their manifestation in nanocrystals and corresponding impact on plasmonic properties, and to develop materials that surpass current limitations in free carrier concentration.

  13. Synergetic effects of mixed copper-iron oxides oxygen carriers in chemical looping combustion

    SciTech Connect (OSTI)

    Siriwardane, Ranjani; Tian, Hanjing; Simonyi, Thomas; Poston, James

    2013-06-01

    Chemical looping combustion (CLC) is an emerging technology for clean energy production from fuels. CLC produces sequestration-ready CO{sub 2}-streams without a significant energy penalty. Development of efficient oxygen carriers is essential to successfully operate a CLC system. Copper and iron oxides are promising candidates for CLC. Copper oxide possesses high reactivity but it has issues with particle agglomeration due to its low melting point. Even though iron oxide is an inexpensive oxygen carrier it has a slower reactivity. In this study, mixed metal oxide carriers containing iron and copper oxides were evaluated for coal and methane CLC. The components of CuO and Fe{sub 2}O{sub 3} were optimized to obtain good reactivity while maintaining physical and chemical stability during cyclic reactions for methane-CLC and solid-fuel CLC. Compared with single metal oxygen carriers, the optimized CuFe mixed oxide oxygen carriers demonstrated high reaction rate, better combustion conversion, greater oxygen usage and improved physical stability. Thermodynamic calculations, XRD, TGA, flow reactor studies and TPR experiments suggested that there is a strong interaction between CuO and Fe{sub 2}O{sub 3} contributing to a synergistic effect during CLC reactions. The amount of oxygen release of the mixed oxide carrier in the absence of a fuel was similar to that of the single metal oxides. However, in the presence of fuels, the oxygen consumption and the reaction profiles of the mixed oxide carriers were significantly better than that of the single metal oxides. The nature of the fuel not only influenced the reactivity, but also the final reduction status of the oxygen carriers during chemical looping combustion. Cu oxide of the mixed oxide was fully reduced metallic copper with both coal and methane. Fe oxide of the mixed oxide was fully reduced Fe metal with methane but it was reduced to only FeO with coal. Possible mechanisms of how the presence of CuO enhances the reduction of Fe{sub 2}O{sub 3} are discussed.

  14. Metal oxide porous ceramic membranes with small pore sizes

    DOE Patents [OSTI]

    Anderson, Marc A. (Madison, WI); Xu, Qunyin (Madison, WI)

    1992-01-01

    A method is disclosed for the production of metal oxide ceramic membranes of very small pore size. The process is particularly useful in the creation of titanium and other transition metal oxide membranes. The method utilizes a sol-gel process in which the rate of particle formation is controlled by substituting a relatively large alcohol in the metal alkoxide and by limiting the available water. Stable, transparent metal oxide ceramic membranes are created having a narrow distribution of pore size, with the pore diameter being manipulable in the range of 5 to 40 Angstroms.

  15. Metal oxide porous ceramic membranes with small pore sizes

    DOE Patents [OSTI]

    Anderson, Marc A. (Madison, WI); Xu, Qunyin (Madison, WI)

    1991-01-01

    A method is disclosed for the production of metal oxide ceramic membranes of very small pore size. The process is particularly useful in the creation of titanium and other transition metal oxide membranes. The method utilizes a sol-gel process in which the rate of particle formation is controlled by substituting a relatively large alcohol in the metal alkoxide and by limiting the available water. Stable, transparent metal oxide ceramic membranes are created having a narrow distribution of pore size, with the pore diameter being manipulable in the range of 5 to 40 Angstroms.

  16. Solder for oxide layer-building metals and alloys

    DOE Patents [OSTI]

    Kronberg, J.W.

    1992-09-15

    A low temperature solder and method for soldering an oxide layer-building metal such as aluminum, titanium, tantalum or stainless steel is disclosed. The composition comprises tin and zinc; germanium as a wetting agent; preferably small amounts of copper and antimony; and a grit, such as silicon carbide. The grit abrades any oxide layer formed on the surface of the metal as the germanium penetrates beneath and loosens the oxide layer to provide good metal-to-metal contact. The germanium comprises less than approximately 10% by weight of the solder composition so that it provides sufficient wetting action but does not result in a melting temperature above approximately 300 C. The method comprises the steps rubbing the solder against the metal surface so the grit in the solder abrades the surface while heating the surface until the solder begins to melt and the germanium penetrates the oxide layer, then brushing aside any oxide layer loosened by the solder.

  17. Solder for oxide layer-building metals and alloys

    DOE Patents [OSTI]

    Kronberg, James W. (108 Independent Blvd., Aiken, SC 29801)

    1992-01-01

    A low temperature solder and method for soldering an oxide layer-building metal such as aluminum, titanium, tantalum or stainless steel. The comosition comprises tin and zinc; germanium as a wetting agent; preferably small amounts of copper and antimony; and a grit, such as silicon carbide. The grit abrades any oxide layer formed on the surface of the metal as the germanium penetrates beneath and loosens the oxide layer to provide good metal-to-metal contact. The germanium comprises less than aproximatley 10% by weight of the solder composition so that it provides sufficient wetting action but does not result in a melting temperature above approximately 300.degree. C. The method comprises the steps rubbing the solder against the metal surface so the grit in the solder abrades the surface while heating the surface until the solder begins to melt and the germanium penetrates the oxide layer, then brushing aside any oxide layer loosened by the solder.

  18. Metal Current Collector Protected by Oxide Film - Energy Innovation Portal

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

    Metal Current Collector Protected by Oxide Film Lawrence Berkeley National Laboratory Contact LBL About This Technology Technology Marketing SummarySteven Visco, Craig Jacobson, and Lutgard DeJonghe have designed a cost-efficient, structurally sound technology for current collection and cell-to-cell interconnection of high temperature (>600 C) planar electrochemical devices. Current collection is normally achieved using expensive metal oxides or metals such as platinum or nickel.

  19. Oxidized film structure and method of making epitaxial metal oxide structure

    DOE Patents [OSTI]

    Gan, Shupan [Richland, WA; Liang, Yong [Richland, WA

    2003-02-25

    A stable oxidized structure and an improved method of making such a structure, including an improved method of making an interfacial template for growing a crystalline metal oxide structure, are disclosed. The improved method comprises the steps of providing a substrate with a clean surface and depositing a metal on the surface at a high temperature under a vacuum to form a metal-substrate compound layer on the surface with a thickness of less than one monolayer. The compound layer is then oxidized by exposing the compound layer to essentially oxygen at a low partial pressure and low temperature. The method may further comprise the step of annealing the surface while under a vacuum to further stabilize the oxidized film structure. A crystalline metal oxide structure may be subsequently epitaxially grown by using the oxidized film structure as an interfacial template and depositing on the interfacial template at least one layer of a crystalline metal oxide.

  20. High-Temperature Zirconia Oxygen Sensor with Sealed Metal/Metal Oxide

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

    Internal Reference | Department of Energy High-Temperature Zirconia Oxygen Sensor with Sealed Metal/Metal Oxide Internal Reference High-Temperature Zirconia Oxygen Sensor with Sealed Metal/Metal Oxide Internal Reference Poster presentation at the 2007 Diesel Engine-Efficiency & Emissions Research Conference (DEER 2007). 13-16 August, 2007, Detroit, Michigan. Sponsored by the U.S. Department of Energy's (DOE) Office of FreedomCAR and Vehicle Technologies (OFCVT). PDF icon

  1. Catalysis using hydrous metal oxide ion exchanges

    DOE Patents [OSTI]

    Dosch, Robert G. (Albuquerque, NM); Stephens, Howard P. (Albuquerque, NM); Stohl, Frances V. (Albuquerque, NM)

    1985-01-01

    In a process which is catalyzed by a catalyst comprising an active metal on a carrier, said metal being active as a catalyst for the process, an improvement is provided wherein the catalyst is a hydrous, alkali metal or alkaline earth metal titanate, zirconate, niobate or tantalate wherein alkali or alkaline earth metal cations have been exchanged with a catalytically effective amount of cations of said metal.

  2. Catalysis using hydrous metal oxide ion exchangers

    DOE Patents [OSTI]

    Dosch, R.G.; Stephens, H.P.; Stohl, F.V.

    1983-07-21

    In a process which is catalyzed by a catalyst comprising an active metal on a carrier, said metal being active as a catalyst for the process, an improvement is provided wherein the catalyst is a hydrous, alkali metal or alkaline earth metal titanate, zirconate, niobate or tantalate wherein alkali or alkaline earth metal cations have been exchanged with a catalytically effective amount of cations of said metal.

  3. Reduction of spalling in mixed metal oxide desulfurization sorbents by addition of a large promoter metal oxide

    DOE Patents [OSTI]

    Poston, James A. (Star City, WV)

    1997-01-01

    Mixed metal oxide pellets for removing hydrogen sulfide from fuel gas mixes derived from coal are stabilized for operation over repeated cycles of desulfurization and regeneration reactions by addition of a large promoter metal oxide such as lanthanum trioxide. The pellets, which may be principally made up of a mixed metal oxide such as zinc titanate, exhibit physical stability and lack of spalling or decrepitation over repeated cycles without loss of reactivity. The lanthanum oxide is mixed with pellet-forming components in an amount of 1 to 10 weight percent.

  4. Reduction of spalling in mixed metal oxide desulfurization sorbents by addition of a large promoter metal oxide

    DOE Patents [OSTI]

    Poston, J.A.

    1997-12-02

    Mixed metal oxide pellets for removing hydrogen sulfide from fuel gas mixes derived from coal are stabilized for operation over repeated cycles of desulfurization and regeneration reactions by addition of a large promoter metal oxide such as lanthanum trioxide. The pellets, which may be principally made up of a mixed metal oxide such as zinc titanate, exhibit physical stability and lack of spalling or decrepitation over repeated cycles without loss of reactivity. The lanthanum oxide is mixed with pellet-forming components in an amount of 1 to 10 weight percent.

  5. CO oxidation on gold-supported iron oxides: New insights into strong oxidemetal interactions

    SciTech Connect (OSTI)

    Yu, Liang; Liu, Yun; Yang, Fan; Evans, Jaime; Rodriguez, Jos A.; Liu, Ping

    2015-07-14

    Very active FeOxAu catalysts for CO oxidation are obtained after depositing nanoparticles of FeO, Fe3O4, and Fe2O3 on a Au(111) substrate. Neither FeO nor Fe2O3 is stable under the reaction conditions. Under an environment of CO/O2, they undergo oxidation (FeO) or reduction (Fe2O3) to yield nanoparticles of Fe3O4 that are not formed in a bulk phase. Using a combined experimental and theoretical approach, we show a strong oxidemetal interaction (SOMI) between Fe3O4 nanostructures and Au(111), which gives the oxide special properties, allows the formation of an active phase, and provides a unique interface to facilitate a catalytic reaction. This work highlights the important role that the SOMI can play in enhancing the catalytic performance of the oxide component in metaloxide catalysts.

  6. Method for converting uranium oxides to uranium metal

    DOE Patents [OSTI]

    Duerksen, Walter K. (Norris, TN)

    1988-01-01

    A process is described for converting scrap and waste uranium oxide to uranium metal. The uranium oxide is sequentially reduced with a suitable reducing agent to a mixture of uranium metal and oxide products. The uranium metal is then converted to uranium hydride and the uranium hydride-containing mixture is then cooled to a temperature less than -100.degree. C. in an inert liquid which renders the uranium hydride ferromagnetic. The uranium hydride is then magnetically separated from the cooled mixture. The separated uranium hydride is readily converted to uranium metal by heating in an inert atmosphere. This process is environmentally acceptable and eliminates the use of hydrogen fluoride as well as the explosive conditions encountered in the previously employed bomb-reduction processes utilized for converting uranium oxides to uranium metal.

  7. Method and apparatus for the production of metal oxide powder

    DOE Patents [OSTI]

    Harris, M.T.; Scott, T.C.; Byers, C.H.

    1992-06-16

    The present invention provides a method for preparing metal oxide powder. A first solution, which is substantially organic, is prepared. A second solution, which is an aqueous solution substantially immiscible in the first solution, is prepared and delivered as drops to the first solution. The drops of the second solution are atomized by a pulsed electric field forming micro-drops of the second solution. Reagents in the first solution diffuse into and react with reactants in the micro-drops of the second solution forming metal hydroxide or oxalate particles. The metal hydroxide or metal oxalate particles are then recovered and dried to produce the metal oxide powder. An apparatus for preparing a metal oxide powder is also disclosed. 2 figs.

  8. Method and apparatus for the production of metal oxide powder

    DOE Patents [OSTI]

    Harris, Michael T. (Knoxville, TN); Scott, Timothy C. (Knoxville, TN); Byers, Charles H. (Oak Ridge, TN)

    1992-01-01

    The present invention provides a method for preparing metal oxide powder. A first solution, which is substantially organic, is prepared. A second solution, which is an aqueous solution substantially immiscible in the first solution, is prepared and delivered as drops to the first solution. The drops of the second solution are atomized by a pulsed electric field forming micro-drops of the second solution. Reagents in the first solution diffuse into and react with reactants in the micro-drops of the second solution forming metal hydroxide or oxalate particles. The metal hydroxide or metal oxalate particles are then recovered and dried to produce the metal oxide powder. An apparatus for preparing a metal oxide powder is also disclosed.

  9. Method and apparatus for the production of metal oxide powder

    DOE Patents [OSTI]

    Harris, Michael T. (Knoxville, TN); Scott, Timothy C. (Knoxville, TN); Byers, Charles H. (Oak Ridge, TN)

    1993-01-01

    The present invention provides a method for preparing metal oxide powder. A first solution, which is substantially organic, is prepared. A second solution, which is an aqueous solution substantially immiscible in the first solution, is prepared and delivered as drops to the first solution. The drops of the second solution are atomized by a pulsed electric field forming micro-drops of the second solution. Reagents in the first solution diffuse into and react with reactants in the micro-drops of the second solution forming metal hydroxide or oxalate particles. The metal hydroxide or metal oxalate particles are then recovered and dried to produce the metal oxide powder. An apparatus for preparing a metal oxide powder is also disclosed.

  10. NREL Demonstrates Efficient Solar Water Splitting by Metal Oxide Photoabsorber (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2014-01-01

    New development demonstrates that inexpensive and robust metal oxide photoabsorbers hold great promise as photoanodes for water oxidation.

  11. Inert electrode containing metal oxides, copper and noble metal

    DOE Patents [OSTI]

    Ray, Siba P. (Murrysville, PA); Woods, Robert W. (New Kensington, PA); Dawless, Robert K. (Monroeville, PA); Hosler, Robert B. (Sarver, PA)

    2000-01-01

    A cermet composite material is made by treating at an elevated temperature a mixture comprising a compound of iron and a compound of at least one other metal, together with an alloy or mixture of copper and a noble metal. The alloy or mixture preferably comprises particles having an interior portion containing more copper than noble metal and an exterior portion containing more noble metal than copper. The noble metal is preferably silver. The cermet composite material preferably includes alloy phase portions and a ceramic phase portion. At least part of the ceramic phase portion preferably has a spinel structure.

  12. Inert electrode containing metal oxides, copper and noble metal

    DOE Patents [OSTI]

    Ray, Siba P. (Murrysville, PA); Woods, Robert W. (New Kensington, PA); Dawless, Robert K. (Monroeville, PA); Hosler, Robert B. (Sarver, PA)

    2001-01-01

    A cermet composite material is made by treating at an elevated temperature a mixture comprising a compound of iron and a compound of at least one other metal, together with an alloy or mixture of copper and a noble metal. The alloy or mixture preferably comprises particles having an interior portion containing more copper than noble metal and an exterior portion containing more noble metal than copper. The noble metal is preferably silver. The cermet composite material preferably includes alloy phase portions and a ceramic phase portion. At least part of the ceramic phase portion preferably has a spinel structure.

  13. In situ study of e-beam Al and Hf metal deposition on native oxide InP (100)

    SciTech Connect (OSTI)

    Dong, H.; KC, Santosh; Azcatl, A.; Cabrera, W.; Qin, X.; Brennan, B.; Cho, K.; Wallace, R. M.; Zhernokletov, D.

    2013-11-28

    The interfacial chemistry of thin Al (∼3 nm) and Hf (∼2 nm) metal films deposited by electron beam (e-beam) evaporation on native oxide InP (100) samples at room temperature and after annealing has been studied by in situ angle resolved X-ray photoelectron spectroscopy and low energy ion scattering spectroscopy. The In-oxides are completely scavenged forming In-In/In-(Al/Hf) bonding after Al and Hf metal deposition. The P-oxide concentration is significantly decreased, and the P-oxide chemical states have been changed to more P-rich oxides upon metal deposition. Indium diffusion through these metals before and after annealing at 250 °C has also been characterized. First principles calculation shows that In has lower surface formation energy compared with Al and Hf metals, which is consistent with the observed indium diffusion behavior.

  14. Method of physical vapor deposition of metal oxides on semiconductors

    DOE Patents [OSTI]

    Norton, David P. (Knoxville, TN)

    2001-01-01

    A process for growing a metal oxide thin film upon a semiconductor surface with a physical vapor deposition technique in a high-vacuum environment and a structure formed with the process involves the steps of heating the semiconductor surface and introducing hydrogen gas into the high-vacuum environment to develop conditions at the semiconductor surface which are favorable for growing the desired metal oxide upon the semiconductor surface yet is unfavorable for the formation of any native oxides upon the semiconductor. More specifically, the temperature of the semiconductor surface and the ratio of hydrogen partial pressure to water pressure within the vacuum environment are high enough to render the formation of native oxides on the semiconductor surface thermodynamically unstable yet are not so high that the formation of the desired metal oxide on the semiconductor surface is thermodynamically unstable. Having established these conditions, constituent atoms of the metal oxide to be deposited upon the semiconductor surface are directed toward the surface of the semiconductor by a physical vapor deposition technique so that the atoms come to rest upon the semiconductor surface as a thin film of metal oxide with no native oxide at the semiconductor surface/thin film interface. An example of a structure formed by this method includes an epitaxial thin film of (001)-oriented CeO.sub.2 overlying a substrate of (001) Ge.

  15. Initial chemical steps in the low-temperature oxidation of

    Office of Scientific and Technical Information (OSTI)

    25-dimethylhexane. (Journal Article) | SciTech Connect Journal Article: Initial chemical steps in the low-temperature oxidation of 25-dimethylhexane. Citation Details In-Document Search Title: Initial chemical steps in the low-temperature oxidation of 25-dimethylhexane. Abstract not provided. Authors: Taatjes, Craig A. ; Rotavera, Brandon ; Osborn, David L. ; Welz, Oliver ; Sheps, Leonid ; Scheer, Adam Michael ; Savee, John David ; Simmons, Blake Alexander ; Lee, Taek-Soon ; Violi, Angela ;

  16. Electronically conducting metal oxide nanoparticles and films for optical sensing applications

    DOE Patents [OSTI]

    Ohodnicki, Jr., Paul R.; Wang, Congjun; Andio, Mark A

    2014-09-16

    The disclosure relates to a method of detecting a change in a chemical composition by contacting a conducting oxide material with a monitored stream, illuminating the conducting oxide material with incident light, collecting exiting light, monitoring an optical signal based on a comparison of the incident light and the exiting light, and detecting a shift in the optical signal. The conducting metal oxide has a carrier concentration of at least 10.sup.17/cm.sup.3, a bandgap of at least 2 eV, and an electronic conductivity of at least 10.sup.-1 S/cm, where parameters are specified at the gas stream temperature. The optical response of the conducting oxide materials is proposed to result from the high carrier concentration and electronic conductivity of the conducting metal oxide, and the resulting impact of changing gas atmospheres on that relatively high carrier concentration and electronic conductivity. These changes in effective carrier densities and electronic conductivity of conducting metal oxide films and nanoparticles are postulated to be responsible for the change in measured optical absorption associated with free carriers. Exemplary conducting metal oxides include but are not limited to Al-doped ZnO, Sn-doped In.sub.2O.sub.3, Nb-doped TiO.sub.2, and F-doped SnO.sub.2.

  17. Plasmonic transparent conducting metal oxide nanoparticles and films for optical sensing applications

    DOE Patents [OSTI]

    Ohodnicki, Jr., Paul R; Wang, Congjun; Andio, Mark A

    2014-01-28

    The disclosure relates to a method of detecting a change in a chemical composition by contacting a doped oxide material with a monitored stream, illuminating the doped oxide material with incident light, collecting exiting light, monitoring an optical signal based on a comparison of the incident light and the exiting light, and detecting a shift in the optical signal. The doped metal oxide has a carrier concentration of at least 10.sup.18/cm.sup.3, a bandgap of at least 2 eV, and an electronic conductivity of at least 10.sup.1 S/cm, where parameters are specified at a temperature of 25.degree. C. The optical response of the doped oxide materials results from the high carrier concentration of the doped metal oxide, and the resulting impact of changing gas atmospheres on that relatively high carrier concentration. These changes in effective carrier densities of conducting metal oxide nanoparticles are postulated to be responsible for the change in measured optical absorption associated with free carriers. Exemplary doped metal oxides include but are not limited to Al-doped ZnO, Sn-doped In.sub.2O.sub.3, Nb-doped TiO.sub.2, and F-doped SnO.sub.2.

  18. Displacement method and apparatus for reducing passivated metal powders and metal oxides

    DOE Patents [OSTI]

    Morrell; Jonathan S. (Knoxville, TN), Ripley; Edward B. (Knoxville, TN)

    2009-05-05

    A method of reducing target metal oxides and passivated metals to their metallic state. A reduction reaction is used, often combined with a flux agent to enhance separation of the reaction products. Thermal energy in the form of conventional furnace, infrared, or microwave heating may be applied in combination with the reduction reaction.

  19. Plutonium metal and oxide container weld development and qualification

    SciTech Connect (OSTI)

    Fernandez, R.; Horrell, D.R.; Hoth, C.W.; Pierce, S.W.; Rink, N.A.; Rivera, Y.M.; Sandoval, V.D.

    1996-01-01

    Welds were qualified for a container system to be used for long-term storage of plutonium metal and oxide. Inner and outer containers are formed of standard tubing with stamped end pieces gas-tungsten-arc (GTA) welded onto both ends. The weld qualification identified GTA parameters to produce a robust weld that meets the requirements of the Department of Energy standard DOE-STD-3013-94, ``Criteria for the Safe Storage of Plutonium Metals and Oxides.``

  20. Advanced Metal-Oxide based SCR Catalysts | Department of Energy

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

    Metal-Oxide based SCR Catalysts Advanced Metal-Oxide based SCR Catalysts SCR with ammonia as reductant is an effective strategy being utilized to reduce NOx emissions to meet regulated levels. PDF icon deer10_adelmann.pdf More Documents & Publications Hydrocarbon fouling of SCR during Premixed Charge Compression Ignition (PCCI) combustion Catalyst Design for Urea-less Passive Ammonia SCR Lean-Burn SIDI Aftertreatment System Looking From A Hilltop: Automotive Propulsion System Technology

  1. Monolithic Metal Oxide based Composite Nanowire Lean NOx Emission Control

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

    Catalysts | Department of Energy Monolithic Metal Oxide based Composite Nanowire Lean NOx Emission Control Catalysts Monolithic Metal Oxide based Composite Nanowire Lean NOx Emission Control Catalysts Presents latest progress in the development of a new type of lean NOx trapping catalyst based on heterogenous composite nanowires, which could potentially be used in gasoline and diesel engines. PDF icon deer11_gao.pdf More Documents & Publications Three-Dimensional Composite Nanostructures

  2. Trending: Metal Oxo Bonds

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

    Trending: Metal Oxo Bonds Trending: Metal Oxo Bonds Print Wednesday, 29 May 2013 00:00 Metal oxides are important for scientific and technical applications in a variety of disciplines, including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the building blocks of metal oxides and have a bearing on the oxide's desirable chemical, magnetic, electronic, and thermal properties. The lack of a more sophisticated grasp of bonding in metal oxides

  3. Chemical vapor deposition of aluminum oxide

    DOE Patents [OSTI]

    Gordon, Roy; Kramer, Keith; Liu, Xinye

    2000-01-01

    An aluminum oxide film is deposited on a heated substrate by CVD from one or more alkylaluminum alkoxide compounds having composition R.sub.n Al.sub.2 (OR').sub.6-n, wherein R and R' are alkyl groups and n is in the range of 1 to 5.

  4. Interactions of Hydrogen Isotopes and Oxides with Metal Tubes

    SciTech Connect (OSTI)

    Glen R. Longhurst

    2008-08-01

    Understanding and accounting for interaction of hydrogen isotopes and their oxides with metal surfaces is important for persons working with tritium systems. Reported data from several investigators have shown that the processes of oxidation, adsorption, absorption, and permeation are all coupled and interactive. A computer model has been developed for predicting the interaction of hydrogen isotopes and their corresponding oxides in a flowing carrier gas stream with the walls of a metallic tube, particularly at low hydrogen concentrations. An experiment has been constructed to validate the predictive model. Predictions from modeling lead to unexpected experiment results.

  5. Synthesis of metal silicide at metal/silicon oxide interface...

    Office of Scientific and Technical Information (OSTI)

    A platinum silicide, -Ptsub 2Si, was successfully formed at the platinumsilicon oxide interface under 25-200 keV electron irradiation. This is of interest since any platinum ...

  6. Ethanol oxidation on metal oxide-supported platinum catalysts

    SciTech Connect (OSTI)

    L. M. Petkovic 090468; Sergey N. Rashkeev; D. M. Ginosar

    2009-09-01

    Ethanol is a renewable fuel that can be used as an additive to gasoline (or its substitute) with the advantage of octane enhancement and reduced carbon monoxide exhaust emissions. However, on Ethanol is a renewable fuel that can be used as an additive to gasoline (or its substitute) with the advantage of octane enhancement and reduced carbon monoxide exhaust emissions. However, on the standard three-way catalysts, the conversion of unburned ethanol is low because both ethanol and some of its partially oxidized derivatives are highly resistant to oxidation. A combination of first-principles density-functional theory (DFT) based calculations and in-situ diffuse reflectance infrared spectroscopy (DRIFTS) analysis was applied to uncover some of the fundamental phenomena associated with ethanol oxidation on Pt containing catalysts. In particular, the objective was to analyze the role of the oxide (i.e., ?-Al2O3 or SiO2) substrate on the ethanol oxidation activity. The results showed that Pt nanoparticles trap and accumulate oxygen at their surface and perimeter sites and play the role of stoves that burn ethanol molecules and their partially oxidized derivatives to the final products. The ?-Al2O3 surfaces provided higher mobility of the fragments of ethanol molecules than the SiO2 surface and hence increased the supply rate of these objects to the Pt particles. This will in turn produce a higher conversion rate of unburned ethanol.and some of its partially oxidized derivatives are highly resistant to oxidation. A combination of first-principles density-functional theory (DFT) based calculations and in-situ diffuse reflectance infrared spectroscopy (DRIFTS) analysis was applied to uncover some of the fundamental phenomena associated with ethanol oxidation on Pt containing catalysts. In particular, the objective was to analyze the role of the oxide (i.e., ?-Al2O3 or SiO2) substrate on the ethanol oxidation activity. The results showed that Pt nanoparticles trap and accumulate oxygen at their surface and perimeter sites and play the role of stoves that burn ethanol molecules and their partially oxidized derivatives to the final products. The ?-Al2O3 surfaces provided higher mobility of the fragments of ethanol molecules than the SiO2 surface and hence increased the supply rate of these objects to the Pt particles. This will in turn produce a higher conversion rate of unburned ethanol.

  7. Methods of making metal oxide nanostructures and methods of controlling morphology of same

    DOE Patents [OSTI]

    Wong, Stanislaus S; Hongjun, Zhou

    2012-11-27

    The present invention includes a method of producing a crystalline metal oxide nanostructure. The method comprises providing a metal salt solution and providing a basic solution; placing a porous membrane between the metal salt solution and the basic solution, wherein metal cations of the metal salt solution and hydroxide ions of the basic solution react, thereby producing a crystalline metal oxide nanostructure.

  8. Vehicle Technologies Office Merit Review 2015: Metal Oxide Nano-Array

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

    Catalysts for Low Temperature Diesel Oxidation | Department of Energy Metal Oxide Nano-Array Catalysts for Low Temperature Diesel Oxidation Vehicle Technologies Office Merit Review 2015: Metal Oxide Nano-Array Catalysts for Low Temperature Diesel Oxidation Presentation given by U. Conn at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about metal oxide nano-array catalysts for low temperature diesel oxidation. PDF icon

  9. Composite materials with metal oxide attached to lead chalcogenide nanocrystal quantum dots with linkers

    DOE Patents [OSTI]

    Fuke, Nobuhiro; Koposov, Alexey Y; Sykora, Milan; Hoch, Laura

    2014-12-16

    Composite materials useful for devices such as photoelectrochemical solar cells include a substrate, a metal oxide film on the substrate, nanocrystalline quantum dots (NQDs) of lead sulfide, lead selenide, and lead telluride, and linkers that attach the NQDs to the metal oxide film. Suitable linkers preserve the 1s absorption peak of the NQDs. A suitable linker has a general structure A-B-C where A is a chemical group adapted for binding to a MO.sub.x and C is a chemical group adapted for binding to a NQD and B is a divalent, rigid, or semi-rigid organic spacer moiety. Other linkers that preserve the 1s absorption peak may also be used.

  10. Metal current collect protected by oxide film

    DOE Patents [OSTI]

    Jacobson, Craig P. (Lafayette, CA); Visco, Steven J. (Berkeley, CA); DeJonghe, Lutgard C. (Lafayette, CA)

    2004-05-25

    Provided are low-cost, mechanically strong, highly electronically conductive current collects and associated structures for solid-state electrochemical devices, techniques for forming these structures, and devices incorporating the structures. The invention provides solid state electrochemical devices having as current interconnects a ferritic steel felt or screen coated with a protective oxide film.

  11. Thermodynamic Investigations of Lithium- and Manganese-Rich Transition Metal Oxides

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

    Vehicle Technologies Program Thermodynamic Investigations of Lithium- and Manganese-Rich Transition Metal Oxides Wenquan Lu (PI) Qingliu Wu, Dennis Dees, Kevin Gallagher, Ira Bloom, and Anthony Burrell Electrochemical Energy Storage Chemical Sciences and Engineering Division Argonne National Laboratory This presentation does not contain any proprietary, confidential, or otherwise restricted information Vehicle Technologies Annual Merit Review and Peer Evaluation Washington, D.C. May 13th - 17th

  12. Method for continuous synthesis of metal oxide powders

    DOE Patents [OSTI]

    Berry, David A.; Haynes, Daniel J.; Shekhawat, Dushyant; Smith, Mark W.

    2015-09-08

    A method for the rapid and continuous production of crystalline mixed-metal oxides from a precursor solution comprised of a polymerizing agent, chelated metal ions, and a solvent. The method discharges solution droplets of less than 500 .mu.m diameter using an atomizing or spray-type process into a reactor having multiple temperature zones. Rapid evaporation occurs in a first zone, followed by mixed-metal organic foam formation in a second zone, followed by amorphous and partially crystalline oxide precursor formation in a third zone, followed by formation of the substantially crystalline mixed-metal oxide in a fourth zone. The method operates in a continuous rather than batch manner and the use of small droplets as the starting material for the temperature-based process allows relatively high temperature processing. In a particular embodiment, the first zone operates at 100-300.degree. C., the second zone operates at 300-700.degree. C., and the third operates at 700-1000.degree. C., and fourth zone operates at at least 700.degree. C. The resulting crystalline mixed-metal oxides display a high degree of crystallinity and sphericity with typical diameters on the order of 50 .mu.m or less.

  13. Trending: Metal Oxo Bonds

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

    Trending: Metal Oxo Bonds Print Metal oxides are important for scientific and technical applications in a variety of disciplines, including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the building blocks of metal oxides and have a bearing on the oxide's desirable chemical, magnetic, electronic, and thermal properties. The lack of a more sophisticated grasp of bonding in metal oxides constitutes a roadblock to innovation in a wide

  14. All-alkoxide synthesis of strontium-containing metal oxides

    DOE Patents [OSTI]

    Boyle, Timothy J. (Albuquerque, NM)

    2001-01-01

    A method for making strontium-containing metal-oxide ceramic thin films from a precursor liquid by mixing a strontium neo-pentoxide dissolved in an amine solvent and at least one metal alkoxide dissolved in a solvent, said at least one metal alkoxide selected from the group consisting of alkoxides of calcium, barium, bismuth, cadmium, lead, titanium, tantalum, hafnium, tungsten, niobium, zirconium, yttrium, lanthanum, antimony, chromium and thallium, depositing a thin film of the precursor liquid on a substrate, and heating the thin film in the presence of oxygen at between 550 and 700.degree. C.

  15. Lithium metal oxide electrodes for lithium cells and batteries

    DOE Patents [OSTI]

    Thackeray, Michael M.; Johnson, Christopher S.; Amine, Khalil; Kim, Jaekook

    2006-11-14

    A lithium metal oxide positive electrode for a non-aqueous lithium cell is disclosed. The cell is prepared in its initial discharged state and has a general formula xLiMO.sub.2.(1-x)Li.sub.2M'O.sub.3 in which 0oxidation state and with at least one ion being Ni, and where M' is one or more ions with an average tetravalent oxidation state. Complete cells or batteries are disclosed with anode, cathode and electrolyte as are batteries of several cells connected in parallel or series or both.

  16. Amorphous semiconducting and conducting transparent metal oxide thin films and production thereof

    DOE Patents [OSTI]

    Perkins, John (Boulder, CO); Van Hest, Marinus Franciscus Antonius Maria (Lakewood, CO); Ginley, David (Evergreen, CO); Taylor, Matthew (Golden, CO); Neuman, George A. (Holland, MI); Luten, Henry A. (Holland, MI); Forgette, Jeffrey A. (Hudsonville, MI); Anderson, John S. (Holland, MI)

    2010-07-13

    Metal oxide thin films and production thereof are disclosed. An exemplary method of producing a metal oxide thin film may comprise introducing at least two metallic elements and oxygen into a process chamber to form a metal oxide. The method may also comprise depositing the metal oxide on a substrate in the process chamber. The method may also comprise simultaneously controlling a ratio of the at least two metallic elements and a stoichiometry of the oxygen during deposition. Exemplary amorphous metal oxide thin films produced according to the methods herein may exhibit highly transparent properties, highly conductive properties, and/or other opto-electronic properties.

  17. Control of cerium oxidation state through metal complex secondary structures

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

    Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.

    2015-08-11

    A series of alkali metal cerium diphenylhydrazido complexes, Mx(py)y[Ce(PhNNPh)4], M = Li, Na, and K, x = 4 (Li and Na) or 5 (K), and y = 4 (Li), 8 (Na), or 7 (K), were synthesized to probe how a secondary coordination sphere would modulate electronic structures at a cerium cation. The resulting electronic structures of the heterobimetallic cerium diphenylhydrazido complexes were found to be strongly dependent on the identity of the alkali metal cations. When M = Li+ or Na+, the cerium(III) starting material was oxidized with concomitant reduction of 1,2-diphenylhydrazine to aniline. Reduction of 1,2-diphenylhydrazine was not observedmore » when M = K+, and the complex remained in the cerium(III) oxidation state. Oxidation of the cerium(III) diphenylhydrazido complex to the Ce(IV) diphenylhydrazido one was achieved through a simple cation exchange reaction of the alkali metals. As a result, UV-Vis spectroscopy, FTIR spectroscopy, electrochemistry, magnetic susceptibility, and DFT studies were used to probe the oxidation state and the electronic changes that occurred at the metal centre.« less

  18. Metal complexes of substituted Gable porphyrins as oxidation catalysts

    DOE Patents [OSTI]

    Lyons, J.E.; Ellis, P.E. Jr.; Wagner, R.W.

    1996-01-02

    Transition metal complexes of Gable porphyrins are disclosed having two porphyrin rings connected through a linking group, and having on the porphyrin rings electron-withdrawing groups, such as halogen, nitro or cyano. These complexes are useful as catalysts for the oxidation of organic compounds, e.g. alkanes.

  19. Metal complexes of substituted Gable porphyrins as oxidation catalysts

    DOE Patents [OSTI]

    Lyons, James E.; Ellis, Jr., Paul E.; Wagner, Richard W.

    1996-01-01

    Transition metal complexes of Gable porphyrins having two porphyrin rings connected through a linking group, and having on the porphyrin rings electron-withdrawing groups, such as halogen, nitro or cyano. These complexes are useful as catalysts for the oxidation of organic compounds, e.g. alkanes.

  20. Oxidation resistant filler metals for direct brazing of structural ceramics

    DOE Patents [OSTI]

    Moorhead, Arthur J. (Knoxville, TN)

    1986-01-01

    A method of joining ceramics and metals to themselves and to one another is described using essentially pure trinickel aluminide and trinickel aluminide containing small amounts of carbon. This method produces strong joints that can withstand high service temperatures and oxidizing environments.

  1. Initial chemical steps in the low-temperature oxidation of25...

    Office of Scientific and Technical Information (OSTI)

    in the low-temperature oxidation of 25-dimethylhexane. Citation Details In-Document Search Title: Initial chemical steps in the low-temperature oxidation of 25-dimethylhexane. ...

  2. Influence of uranium hydride oxidation on uranium metal behaviour

    SciTech Connect (OSTI)

    Patel, N.; Hambley, D.; Clarke, S.A.; Simpson, K.

    2013-07-01

    This work addresses concerns that the rapid, exothermic oxidation of active uranium hydride in air could stimulate an exothermic reaction (burning) involving any adjacent uranium metal, so as to increase the potential hazard arising from a hydride reaction. The effect of the thermal reaction of active uranium hydride, especially in contact with uranium metal, does not increase in proportion with hydride mass, particularly when considering large quantities of hydride. Whether uranium metal continues to burn in the long term is a function of the uranium metal and its surroundings. The source of the initial heat input to the uranium, if sufficient to cause ignition, is not important. Sustained burning of uranium requires the rate of heat generation to be sufficient to offset the total rate of heat loss so as to maintain an elevated temperature. For dense uranium, this is very difficult to achieve in naturally occurring circumstances. Areas of the uranium surface can lose heat but not generate heat. Heat can be lost by conduction, through contact with other materials, and by convection and radiation, e.g. from areas where the uranium surface is covered with a layer of oxidised material, such as burned-out hydride or from fuel cladding. These rates of heat loss are highly significant in relation to the rate of heat generation by sustained oxidation of uranium in air. Finite volume modelling has been used to examine the behaviour of a magnesium-clad uranium metal fuel element within a bottle surrounded by other un-bottled fuel elements. In the event that the bottle is breached, suddenly, in air, it can be concluded that the bulk uranium metal oxidation reaction will not reach a self-sustaining level and the mass of uranium oxidised will likely to be small in relation to mass of uranium hydride oxidised. (authors)

  3. Transition Metal Oxide Alloys as Potential Solar Energy Conversion Materials

    SciTech Connect (OSTI)

    Toroker, Maytal; Carter, Emily A.

    2013-02-21

    First-row transition metal oxides (TMOs) are inexpensive potentia alternative materials for solar energy conversion devices. However, some TMOs, such as manganese(II) oxide, have band gaps that are too large for efficiently absorbing solar energy. Other TMOs, such as iron(II) oxide, have conduction and valence band edges with the same orbital character that may lead to unfavorably high electronhole recombination rates. Another limitation of iron(II) oxide is that the calculated valence band edge is not positioned well for oxidizing water. We predict that key properties, including band gaps, band edge positions, and possibly electronhole recombination rates, may be improved by alloying TMOs that have different band alignments. A new metric, the band gap center offset, is introduced for simple screening of potential parent materials. The concept is illustrated by calculating the electronic structure of binary oxide alloys that contain manganese, nickel, iron, zinc, and/or magnesium, within density functional theory (DFT)+U and hybrid DFT theories. We conclude that alloys of iron(II) oxide are worth evaluating further as solar energy conversion materials.

  4. Effective alkaline metal-catalyzed oxidative delignification of hybrid poplar

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

    Bhalla, Aditya; Bansal, Namita; Stoklosa, Ryan J.; Fountain, Mackenzie; Ralph, John; Hodge, David B.; Hegg, Eric L.

    2016-02-09

    Background: Strategies to improve copper-catalyzed alkaline hydrogen peroxide (Cu-AHP) pretreatment of hybrid poplar were investigated. These improvements included a combination of increasing hydrolysis yields, while simultaneously decreasing process inputs through (i) more efficient utilization of H2O2 and (ii) the addition of an alkaline extraction step prior to the metal-catalyzed AHP pretreatment. We hypothesized that utilizing this improved process could substantially lower the chemical inputs needed during pretreatment. Results: Hybrid poplar was pretreated utilizing a modified process in which an alkaline extraction step was incorporated prior to the Cu-AHP treatment step and H2O2 was added batch-wise over the course of 10more » h. Our results revealed that the alkaline pre-extraction step improved both lignin and xylan solubilization, which ultimately led to improved glucose (86 %) and xylose (95 %) yields following enzymatic hydrolysis. An increase in the lignin solubilization was also observed with fed-batch H2O2 addition relative to batch-only addition, which again resulted in increased glucose and xylose yields (77 and 93 % versus 63 and 74 %, respectively). Importantly, combining these strategies led to significantly improved sugar yields (96 % glucose and 94 % xylose) following enzymatic hydrolysis. In addition, we found that we could substantially lower the chemical inputs (enzyme, H2O2, and catalyst), while still maintaining high product yields utilizing the improved Cu-AHP process. This pretreatment also provided a relatively pure lignin stream consisting of ≥90 % Klason lignin and only 3 % xylan and 2 % ash following precipitation. Two-dimensional heteronuclear single-quantum coherence (2D HSQC) NMR and size-exclusion chromatography demonstrated that the solubilized lignin was high molecular weight (Mw ≈ 22,000 Da) and only slightly oxidized relative to lignin from untreated poplar. In conclusion: This study demonstrated that the fed-batch, two-stage Cu-AHP pretreatment process was effective in pretreating hybrid poplar for its conversion into fermentable sugars. Results showed sugar yields near the theoretical maximum were achieved from enzymatically hydrolyzed hybrid poplar by incorporating an alkaline extraction step prior to pretreatment and by efficiently utilizing H2O2 during the Cu-AHP process. Significantly, this study reports high sugar yields from woody biomass treated with an AHP pretreatment under mild reaction conditions.« less

  5. A metallic fuel cycle concept from spent oxide fuel to metallic fuel

    SciTech Connect (OSTI)

    Fujita, Reiko; Kawashima, Masatoshi; Yamaoka, Mitsuaki; Arie, Kazuo; Koyama, Tadafumi

    2007-07-01

    A Metallic fuel cycle concept for Self-Consistent Nuclear Energy System (SCNES) has been proposed in a companion papers. The ultimate goal of the SCNES is to realize sustainable energy supply without endangering the environment and humans. For future transition period from LWR era to SCNES era, a new metallic fuel recycle concept from LWR spent fuel has been proposed in this paper. Combining the technology for electro-reduction of oxide fuels and zirconium recovery by electrorefining in molten salts in the nuclear recycling schemes, the amount of radioactive waste reduced in a proposed metallic fuel cycle concept. If the recovery ratio of zirconium metal from the spent zirconium waste is 95%, the cost estimation in zirconium recycle to the metallic fuel materials has been estimated to be less than 1/25. (authors)

  6. For cermet inert anode containing oxide and metal phases useful for the electrolytic production of metals

    DOE Patents [OSTI]

    Ray, Siba P. (Murrysville, PA); Liu, Xinghua (Monroeville, PA); Weirauch, Douglas A. (Murrysville, PA)

    2002-01-01

    A cermet inert anode for the electrolytic production of metals such as aluminum is disclosed. The inert anode comprises a ceramic phase including an oxide of Ni, Fe and M, where M is at least one metal selected from Zn, Co, Al, Li, Cu, Ti, V, Cr, Zr, Nb, Ta, W, Mo, Hf and rare earths, preferably Zn and/or Co. Preferred ceramic compositions comprise Fe.sub.2 O.sub.3, NiO and ZnO or CoO. The cermet inert anode also comprises a metal phase such as Cu, Ag, Pd, Pt, Au, Rh, Ru, Ir and/or Os. A preferred metal phase comprises Cu and Ag. The cermet inert anodes may be used in electrolytic reduction cells for the production of commercial purity aluminum as well as other metals.

  7. Electrochromic Nickel Oxide Simultaneously Doped with Lithium and a Metal

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

    Dopant - Energy Innovation Portal Advanced Materials Advanced Materials Find More Like This Return to Search Electrochromic Nickel Oxide Simultaneously Doped with Lithium and a Metal Dopant National Renewable Energy Laboratory Contact NREL About This Technology Technology Marketing Summary Certain materials, referred to as electrochromic materials, are known to change their optical properties in response to the application of an electrical potential. This property has been taken advantage of

  8. Metal Oxide Semiconductor Nanoparticles Pave the Way for Medical Innovation

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

    - Energy Innovation Portal Find More Like This Return to Search Metal Oxide Semiconductor Nanoparticles Pave the Way for Medical Innovation Argonne National Laboratory Contact ANL About This Technology <p> Titanium dioxide nanocomposites &ldquo;locate and destroy&rdquo; defective cell lines using the white light-induced redox chemistry of TiO<sub>2</sub> nanoparticles and recognition properties of biomolecules. When the nanoparticles are linked to oligonucleotides,

  9. Synthesis of metal-metal oxide catalysts and electrocatalysts using a metal cation adsorption/reduction and adatom replacement by more noble ones

    DOE Patents [OSTI]

    Adzic, Radoslav; Vukmirovic, Miomir; Sasaki, Kotaro

    2010-04-27

    The invention relates to platinum-metal oxide composite particles and their use as electrocatalysts in oxygen-reducing cathodes and fuel cells. The invention particularly relates to methods for preventing the oxidation of the platinum electrocatalyst in the cathodes of fuel cells by use of these platinum-metal oxide composite particles. The invention additionally relates to methods for producing electrical energy by supplying such a fuel cell with an oxidant, such as oxygen, and a fuel source, such as hydrogen. The invention also relates to methods of making the metal-metal oxide composites.

  10. Strengthening of metallic alloys with nanometer-size oxide dispersions

    DOE Patents [OSTI]

    Flinn, J.E.; Kelly, T.F.

    1999-06-01

    Austenitic stainless steels and nickel-base alloys containing, by wt. %, 0.1 to 3.0% V, 0.01 to 0.08% C, 0.01 to 0.5% N, 0.05% max. each of Al and Ti, and 0.005 to 0.10% O, are strengthened and ductility retained by atomization of a metal melt under cover of an inert gas with added oxygen to form approximately 8 nanometer-size hollow oxides within the alloy grains and, when the alloy is aged, strengthened by precipitation of carbides and nitrides nucleated by the hollow oxides. Added strengthening is achieved by nitrogen solid solution strengthening and by the effect of solid oxides precipitated along and pinning grain boundaries to provide temperature-stabilization and refinement of the alloy grains. 20 figs.

  11. Lithium metal oxide electrodes for lithium cells and batteries

    DOE Patents [OSTI]

    Thackeray, Michael M. (Naperville, IL); Johnson, Christopher S. (Naperville, IL); Amine, Khalil (Oakbrook, IL)

    2008-12-23

    A lithium metal oxide positive electrode for a non-aqueous lithium cell is disclosed. The cell is prepared in its initial discharged state and has a general formula xLiMO.sub.2.(1-x)Li.sub.2M'O.sub.3 in which 0oxidation state and with at least one ion being Mn or Ni, and where M' is one or more ion with an average tetravalent oxidation state. Complete cells or batteries are disclosed with anode, cathode and electrolyte as are batteries of several cells connected in parallel or series or both.

  12. Strengthening of metallic alloys with nanometer-size oxide dispersions

    DOE Patents [OSTI]

    Flinn, John E. (Idaho Falls, ID); Kelly, Thomas F. (Madison, WI)

    1999-01-01

    Austenitic stainless steels and nickel-base alloys containing, by wt. %, 0.1 to 3.0% V, 0.01 to 0.08% C, 0.01 to 0.5% N, 0.05% max. each of Al and Ti, and 0.005 to 0.10% O, are strengthened and ductility retained by atomization of a metal melt under cover of an inert gas with added oxygen to form approximately 8 nanometer-size hollow oxides within the alloy grains and, when the alloy is aged, strengthened by precipitation of carbides and nitrides nucleated by the hollow oxides. Added strengthening is achieved by nitrogen solid solution strengthening and by the effect of solid oxides precipitated along and pinning grain boundaries to provide temperature-stabilization and refinement of the alloy grains.

  13. Lithium Metal Oxide Electrodes For Lithium Cells And Batteries

    DOE Patents [OSTI]

    Thackeray, Michael M. (Naperville, IL); Johnson, Christopher S. (Naperville, IL); Amine, Khalil (Downers Grove, IL); Kim, Jaekook (Naperville, IL)

    2004-01-20

    A lithium metal oxide positive electrode for a non-aqueous lithium cell is disclosed. The cell is prepared in its initial discharged state and has a general formula xLiMO.sub.2.(1-x)Li.sub.2 M'O.sub.3 in which 0oxidation state and with at least one ion being Mn or Ni, and where M' is one or more ion with an average tetravalent oxidation state. Complete cells or batteries are disclosed with anode, cathode and electrolyte as are batteries of several cells connected in parallel or series or both.

  14. In-situ ductile metal/bulk metallic glass matrix composites formed by chemical partitioning

    DOE Patents [OSTI]

    Kim, Choong Paul (Northridge, CA); Hays, Charles C. (Pasadena, CA); Johnson, William L. (Pasadena, CA)

    2007-07-17

    A composite metal object comprises ductile crystalline metal particles in an amorphous metal matrix. An alloy is heated above its liquidus temperature. Upon cooling from the high temperature melt, the alloy chemically partitions, forming dendrites in the melt. Upon cooling the remaining liquid below the glass transition temperature it freezes to the amorphous state, producing a two-phase microstructure containing crystalline particles in an amorphous metal matrix. The ductile metal particles have a size in the range of from 0.1 to 15 micrometers and spacing in the range of from 0.1 to 20 micrometers. Preferably, the particle size is in the range of from 0.5 to 8 micrometers and spacing is in the range of from 1 to 10 micrometers. The volume proportion of particles is in the range of from 5 to 50% and preferably 15 to 35%. Differential cooling can produce oriented dendrites of ductile metal phase in an amorphous matrix. Examples are given in the Zr--Ti--Cu--Ni--Be alloy bulk glass forming system with added niobium.

  15. In-situ ductile metal/bulk metallic glass matrix composites formed by chemical partitioning

    DOE Patents [OSTI]

    Kim, Choong Paul; Hays, Charles C.; Johnson, William L.

    2004-03-23

    A composite metal object comprises ductile crystalline metal particles in an amorphous metal matrix. An alloy is heated above its liquidus temperature. Upon cooling from the high temperature melt, the alloy chemically partitions, forming dendrites in the melt. Upon cooling the remaining liquid below the glass transition temperature it freezes to the amorphous state, producing a two-phase microstructure containing crystalline particles in an amorphous metal matrix. The ductile metal particles have a size in the range of from 0.1 to 15 micrometers and spacing in the range of from 0.1 to 20 micrometers. Preferably, the particle size is in the range of from 0.5 to 8 micrometers and spacing is in the range of from 1 to 10 micrometers. The volume proportion of particles is in the range of from 5 to 50% and preferably 15 to 35%. Differential cooling can produce oriented dendrites of ductile metal phase in an amorphous matrix. Examples are given in the Zr--Ti--Cu--Ni--Be alloy bulk glass forming system with added niobium.

  16. Hydrocracking and hydroisomerization of long-chain alkanes and polyolefins over metal-promoted anion-modified transition metal oxides

    DOE Patents [OSTI]

    Venkatesh, Koppampatti R. (Pittsburgh, PA); Hu, Jianli (Cranbury, NJ); Tierney, John W. (Pittsburgh, PA); Wender, Irving (Pittsburgh, PA)

    2001-01-01

    A method of cracking a feedstock by contacting the feedstock with a metal-promoted anion-modified metal oxide catalyst in the presence of hydrogen gas. The metal oxide of the catalyst is one or more of ZrO.sub.2, HfO.sub.2, TiO.sub.2 and SnO.sub.2, and the feedstock is principally chains of at least 20 carbon atoms. The metal-promoted anion-modified metal oxide catalyst contains one or more of Pt, Ni, Pd, Rh, Ir, Ru, (Mn & Fe) or mixtures of them present between about 0.2% to about 15% by weight of the catalyst. The metal-promoted anion-modified metal oxide catalyst contains one or more of SO.sub.4, WO.sub.3, or mixtures of them present between about 0.5% to about 20% by weight of the catalyst.

  17. Metal/metal oxide doped oxide catalysts having high deNOx selectivity for lean NOx exhaust aftertreatment systems

    DOE Patents [OSTI]

    Park, Paul W.

    2004-03-16

    A lean NOx catalyst and method of preparing the same is disclosed. The lean NOx catalyst includes a ceramic substrate, an oxide support material, preferably .gamma.-alumina, deposited on the substrate and a metal promoter or dopant introduced into the oxide support material. The metal promoters or dopants are selected from the group consisting of indium, gallium, tin, silver, germanium, gold, nickel, cobalt, copper, iron, manganese, molybdenum, chromium, cerium, vanadium, oxides thereof, and combinations thereof. The .gamma.-alumina preferably has a pore volume of from about 0.5 to about 2.0 cc/g; a surface area of between about 80 to 350 m.sup.2 /g; an average pore size diameter of between about 3 to 30 nm; and an impurity level of less than or equal to 0.2 weight percent. In a preferred embodiment the .gamma.-alumina is prepared by a sol-gel method, with the metal doping of the .gamma.-alumina preferably accomplished using an incipient wetness impregnation technique.

  18. Oxidizer gels for detoxification of chemical and biological agents

    DOE Patents [OSTI]

    Hoffman, Dennis M.; McGuire, Raymond R.

    2002-01-01

    A gel composition containing oxidizing agents and thickening or gelling agents is used to detoxify chemical and biological agents by application directly to a contaminated area. The gelling agent is a colloidal material, such as silica, alumina, or alumino-silicate clays, which forms a viscous gel that does not flow when applied to tilted or contoured surfaces. Aqueous or organic solutions of oxidizing agents can be readily gelled with less than about 30% colloidal material. Gel preparation is simple and suitable for field implementation, as the gels can be prepared at the site of decontamination and applied quickly and uniformly over an area by a sprayer. After decontamination, the residue can be washed away or vacuumed up for disposal.

  19. Magnetic preferential orientation of metal oxide superconducting materials

    DOE Patents [OSTI]

    Capone, D.W.; Dunlap, B.D.; Veal, B.W.

    1990-07-17

    A superconductor comprised of a polycrystalline metal oxide such as YBa[sub 2]Cu[sub 3]O[sub 7[minus]X] (where 0 < X < 0.5) exhibits superconducting properties and is capable of conducting very large current densities. By aligning the two-dimensional Cu-O layers which carry the current in the superconducting state in the a- and b-directions, i.e., within the basal plane, a high degree of crystalline axes alignment is provided between adjacent grains permitting the conduction of high current densities. The highly anisotropic diamagnetic susceptibility of the polycrystalline metal oxide material permits the use of an applied magnetic field to orient the individual crystals when in the superconducting state to substantially increase current transport between adjacent grains. In another embodiment, the anisotropic paramagnetic susceptibility of rare-earth ions substituted into the oxide material is made use of as an applied magnetic field orients the particles in a preferential direction. This latter operation can be performed with the material in the normal (non-superconducting) state. 4 figs.

  20. Magnetic preferential orientation of metal oxide superconducting materials

    DOE Patents [OSTI]

    Capone, Donald W. (Bolingbrook, IL); Dunlap, Bobby D. (Bolingbrook, IL); Veal, Boyd W. (Downers Grove, IL)

    1990-01-01

    A superconductor comprised of a polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0metal oxide material permits the use of an applied magnetic field to orient the individual crystals when in the superconducting state to substantially increase current transport between adjacent grains. In another embodiment, the anisotropic paramagnetic susceptibility of rare-earth ions substituted into the oxide material is made use of as an applied magnetic field orients the particles in a preferential direction. This latter operation can be performed with the material in the normal (non-superconducting) state.

  1. Synthesis of metal silicide at metal/silicon oxide interface by electronic excitation

    SciTech Connect (OSTI)

    Lee, J.-G.; Nagase, T.; Yasuda, H.; Mori, H.

    2015-05-21

    The synthesis of metal silicide at the metal/silicon oxide interface by electronic excitation was investigated using transmission electron microscopy. A platinum silicide, ?-Pt{sub 2}Si, was successfully formed at the platinum/silicon oxide interface under 25200?keV electron irradiation. This is of interest since any platinum silicide was not formed at the platinum/silicon oxide interface by simple thermal annealing under no-electron-irradiation conditions. From the electron energy dependence of the cross section for the initiation of the silicide formation, it is clarified that the silicide formation under electron irradiation was not due to a knock-on atom-displacement process, but a process induced by electronic excitation. It is suggested that a mechanism related to the Knotek and Feibelman mechanism may play an important role in silicide formation within the solid. Similar silicide formation was also observed at the palladium/silicon oxide and nickel/silicon oxide interfaces, indicating a wide generality of the silicide formation by electronic excitation.

  2. Electrostatic Cooperativity of Hydroxyl Groups at Metal Oxide Surfaces

    SciTech Connect (OSTI)

    Boily, Jean F.; Lins, Roberto D.

    2009-09-24

    The O-H bond distribution of hydroxyl groups at the {110} goethite (R-FeOOH) surface was investigated by molecular dynamics. This distribution was strongly affected by electrostatic interactions with neighboring oxo and hydroxo groups. The effects of proton surface loading, simulated by emplacing two protons at different distances of separation, were diverse and generated several sets of O-H bond distributions. DFT calculations of a representative molecular cluster were also carried out to demonstrate the impact of these effects on the orientation of oxygen lone pairs in neighboring oxo groups. These effects should have strong repercussions on O-H stretching vibrations of metal oxide surfaces.h

  3. Lithium metal oxide electrodes for lithium cells and batteries

    DOE Patents [OSTI]

    Thackeray, Michael M. (Naperville, IL); Johnson, Christopher S. (Naperville, IL); Amine, Khalil (Downers Grove, IL); Kim, Jaekook (Naperville, IL)

    2004-01-13

    A lithium metal oxide positive electrode for a non-aqueous lithium cell is disclosed. The cell is prepared in its initial discharged state and has a general formula xLiMO.sub.2.(1-x)Li.sub.2 M'O.sub.3 in which 0

  4. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, O; Pitz, W J; Westbrook, C K

    2007-09-17

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran et al. for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO2 production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels.

  5. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, O; Pitz, W J; Westbrook, C K

    2007-09-20

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran et al. for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO{sub 2} production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels.

  6. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate

    SciTech Connect (OSTI)

    Herbinet, Olivier; Pitz, William J.; Westbrook, Charles K.

    2008-08-15

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of methyl decanoate, a surrogate for biodiesel fuels. This model has been built by following the rules established by Curran and co-workers for the oxidation of n-heptane and it includes all the reactions known to be pertinent to both low and high temperatures. Computed results have been compared with methyl decanoate experiments in an engine and oxidation of rapeseed oil methyl esters in a jet-stirred reactor. An important feature of this mechanism is its ability to reproduce the early formation of carbon dioxide that is unique to biofuels and due to the presence of the ester group in the reactant. The model also predicts ignition delay times and OH profiles very close to observed values in shock tube experiments fueled by n-decane. These model capabilities indicate that large n-alkanes can be good surrogates for large methyl esters and biodiesel fuels to predict overall reactivity, but some kinetic details, including early CO{sub 2} production from biodiesel fuels, can be predicted only by a detailed kinetic mechanism for a true methyl ester fuel. The present methyl decanoate mechanism provides a realistic kinetic tool for simulation of biodiesel fuels. (author)

  7. Acoustic plane wave preferential orientation of metal oxide superconducting materials

    DOE Patents [OSTI]

    Tolt, Thomas L. (North Olmsted, OH); Poeppel, Roger B. (Glen Ellyn, IL)

    1991-01-01

    A polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0metal oxide in the form of a ceramic slip which has not yet set, orientation of the crystal basal planes parallel with the direction of desired current flow is accomplished by an applied acoustic plane wave in the acoustic or ultrasonic frequency range (either progressive or standing) in applying a torque to each crystal particle. The ceramic slip is then set and fired by conventional methods to produce a conductor with preferentially oriented grains and substantially enhanced current carrying capacity.

  8. Preferential orientation of metal oxide superconducting materials by mechanical means

    DOE Patents [OSTI]

    Capone, Donald W. (Bolingbrook, IL)

    1990-01-01

    A superconductor comprised of a polycrystalline metal oxide such as YBa.sub.2 Cu.sub.3 O.sub.7-X (where 0<.times.<0.5) is capable of accommodating very large current densities. By aligning the two-dimensional Cu--O layers which carry the current in the superconducting state in the a- and b-directions, i.e., within the basal plane, a high degree of crystalline axes alignment is provided between adjacent grains permitting the metal oxide material to accommodate high current densities. The orthorhombic crystalline particles have a tendency to lie down on one of the longer sides, i.e., on the a- or b-direction. Aligning the crystals in this orientation is accomplished by mechanical working of the material such as by extrusion, tape casting or slip casting, provided a single crystal powder is used as a starting material, to provide a highly oriented, e.g., approximately 90% of the crystal particles have a common orientation, superconducting matrix capable of supporting large current densities.

  9. Preferential orientation of metal oxide superconducting materials by mechanical means

    DOE Patents [OSTI]

    Capone, D.W.

    1990-11-27

    A superconductor comprised of a polycrystalline metal oxide such as YBa[sub 2]Cu[sub 3]O[sub 7[minus]X] (where 0 < X < 0.5) is capable of accommodating very large current densities. By aligning the two-dimensional Cu-O layers which carry the current in the superconducting state in the a- and b-directions, i.e., within the basal plane, a high degree of crystalline axes alignment is provided between adjacent grains permitting the metal oxide material to accommodate high current densities. The orthorhombic crystalline particles have a tendency to lie down on one of the longer sides, i.e., on the a- or b-direction. Aligning the crystals in this orientation is accomplished by mechanical working of the material such as by extrusion, tape casting or slip casting, provided a single crystal powder is used as a starting material, to provide a highly oriented, e.g., approximately 90% of the crystal particles have a common orientation, superconducting matrix capable of supporting large current densities. 3 figs.

  10. Bipolar plating of metal contacts onto oxide interconnection for solid oxide electrochemical cell

    DOE Patents [OSTI]

    Isenberg, A.O.

    1987-03-10

    Disclosed is a method of forming an adherent metal deposit on a conducting layer of a tube sealed at one end. The tube is immersed with the sealed end down into an aqueous solution containing ions of the metal to be deposited. An ionically conducting aqueous fluid is placed inside the tube and a direct current is passed from a cathode inside the tube to an anode outside the tube. Also disclosed is a multi-layered solid oxide fuel cell tube which consists of an inner porous ceramic support tube, a porous air electrode covering the support tube, a non-porous electrolyte covering a portion of the air electrode, a non-porous conducting interconnection covering the remaining portion of the electrode, and a metal deposit on the interconnection. 1 fig.

  11. Bipolar plating of metal contacts onto oxide interconnection for solid oxide electrochemical cell

    DOE Patents [OSTI]

    Isenberg, Arnold O. (Forest Hills Boro, PA)

    1987-01-01

    Disclosed is a method of forming an adherent metal deposit on a conducting layer of a tube sealed at one end. The tube is immersed with the sealed end down into an aqueous solution containing ions of the metal to be deposited. An ionically conducting aqueous fluid is placed inside the tube and a direct current is passed from a cathode inside the tube to an anode outside the tube. Also disclosed is a multi-layered solid oxide fuel cell tube which consists of an inner porous ceramic support tube, a porous air electrode covering the support tube, a non-porous electrolyte covering a portion of the air electrode, a non-porous conducting interconnection covering the remaining portion of the electrode, and a metal deposit on the interconnection.

  12. Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides

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

    Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print Wednesday, 28 February 2007 00:00 "Ferroelectricity," by analogy to ferromagnetism, is defined as the presence of spontaneous electrical polarization in a material, often arising from distortions in the material's crystal structure. In oxides of the metals lead and bismuth, such distortions were for many years attributed to the existence of

  13. Method of adhesion between an oxide layer and a metal layer

    DOE Patents [OSTI]

    Jennison, Dwight R.; Bogicevic, Alexander; Kelber, Jeffry A.; Chambers, Scott A.

    2004-09-14

    A method of controlling the wetting characteristics and increasing the adhesion between a metal and an oxide layer. By introducing a negatively-charged species to the surface of an oxide layer, layer-by-layer growth of metal deposited onto the oxide surface is promoted, increasing the adhesion strength of the metal-oxide interface. The negatively-charged species can either be deposited onto the oxide surface or a compound can be deposited that dissociates on, or reacts with, the surface to form the negatively-charged species. The deposited metal adatoms can thereby bond laterally to the negatively-charged species as well as vertically to the oxide surface as well as react with the negatively charged species, be oxidized, and incorporated on or into the surface of the oxide.

  14. NANOSTRUCTURED METAL OXIDE CATALYSTS VIA BUILDING BLOCK SYNTHESES

    SciTech Connect (OSTI)

    Craig E. Barnes

    2013-03-05

    A broadly applicable methodology has been developed to prepare new single site catalysts on silica supports. This methodology requires of three critical components: a rigid building block that will be the main structural and compositional component of the support matrix; a family of linking reagents that will be used to insert active metals into the matrix as well as cross link building blocks into a three dimensional matrix; and a clean coupling reaction that will connect building blocks and linking agents together in a controlled fashion. The final piece of conceptual strategy at the center of this methodology involves dosing the building block with known amounts of linking agents so that the targeted connectivity of a linking center to surrounding building blocks is obtained. Achieving targeted connectivities around catalytically active metals in these building block matrices is a critical element of the strategy by which single site catalysts are obtained. This methodology has been demonstrated with a model system involving only silicon and then with two metal-containing systems (titanium and vanadium). The effect that connectivity has on the reactivity of atomically dispersed titanium sites in silica building block matrices has been investigated in the selective oxidation of phenols to benezoquinones. 2-connected titanium sites are found to be five times as active (i.e. initial turnover frequencies) than 4-connected titanium sites (i.e. framework titanium sites).

  15. Synthesis of transition-metal phosphides from oxidic precursors by reduction in hydrogen plasma

    SciTech Connect (OSTI)

    Guan Jie [Department of Catalytic Chemistry and Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116012 (China); Wang Yao [Liaoning Key Laboratory of Petrochemical Technology and Equipments, Dalian University of Technology, Dalian 116012 (China); Qin Minglei; Yang Ying [Department of Catalytic Chemistry and Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116012 (China); Li Xiang [Department of Catalytic Chemistry and Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116012 (China); Liaoning Key Laboratory of Petrochemical Technology and Equipments, Dalian University of Technology, Dalian 116012 (China); Wang Anjie, E-mail: ajwang@dlut.edu.c [Department of Catalytic Chemistry and Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116012 (China); Liaoning Key Laboratory of Petrochemical Technology and Equipments, Dalian University of Technology, Dalian 116012 (China)

    2009-06-15

    A series of transition metal phosphides, including MoP, WP, CoP, Co{sub 2}P, and Ni{sub 2}P, were synthesized from their oxidic precursors by means of hydrogen plasma reduction under mild conditions. The effects of reduction conditions, such as metal to phosphorus molar ratio, power input, and reduction time, on the synthesis of metal phosphides were investigated. The products were identified by means of XRD characterization. It is indicated that metal phosphides were readily synthesized stoichiometrically from their oxides in hydrogen plasma under mild conditions. - Graphical abstract: Metal phosphides were obtained stoichiometrically from their oxidic precursors by hydrogen plasma reaction under mild conditions.

  16. Poly(cyclohexylethylene)-block-poly(ethylene oxide) block polymers for metal oxide templating

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

    Schulze, Morgan W.; Sinturel, Christophe; Hillmyer, Marc A.

    2015-09-01

    A series of poly(cyclohexylethylene)-block-poly(ethylene oxide) (CEO) diblock copolymers were synthesized through tandem anionic polymerizations and heterogeneous catalytic hydrogenation. Solvent-annealed CEO diblock films were used to template dense arrays of inorganic oxide nanodots via simple spin coating of an inorganic precursor solution atop the ordered film. The substantial chemical dissimilarity of the two blocks enables (i) selective inclusion of the inorganic precursor within the PEO domain and (ii) the formation of exceptionally small feature sizes due to a relatively large interaction parameter estimated from mean-field analysis of the order–disorder transition temperatures of compositionally symmetric samples. UV/ozone treatment following incorporation produces anmore » ordered arrangement of oxide nanodots and simultaneously removes the block polymer template. However, we report the smallest particles (6 ± 1 nm) templated from a selective precursor insertion method to date using a block polymer scaffold.« less

  17. CO oxidation on gold-supported iron oxides: New insights into strong oxide–metal interactions

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

    Yu, Liang; Liu, Yun; Yang, Fan; Evans, Jaime; Rodriguez, José A.; Liu, Ping

    2015-07-14

    Very active FeOx–Au catalysts for CO oxidation are obtained after depositing nanoparticles of FeO, Fe3O4, and Fe2O3 on a Au(111) substrate. Neither FeO nor Fe2O3 is stable under the reaction conditions. Under an environment of CO/O2, they undergo oxidation (FeO) or reduction (Fe2O3) to yield nanoparticles of Fe3O4 that are not formed in a bulk phase. Using a combined experimental and theoretical approach, we show a strong oxide–metal interaction (SOMI) between Fe3O4 nanostructures and Au(111), which gives the oxide special properties, allows the formation of an active phase, and provides a unique interface to facilitate a catalytic reaction. This workmore » highlights the important role that the SOMI can play in enhancing the catalytic performance of the oxide component in metal–oxide catalysts.« less

  18. Oxidation catalysts comprising metal exchanged hexaaluminate wherein the metal is Sr, Pd, La, and/or Mn

    DOE Patents [OSTI]

    Wickham, David (Boulder, CO); Cook, Ronald (Lakewood, CO)

    2008-10-28

    The present invention provides metal-exchanged hexaaluminate catalysts that exhibit good catalytic activity and/or stability at high temperatures for extended periods with retention of activity as combustion catalysts, and more generally as oxidation catalysts, that make them eminently suitable for use in methane combustion, particularly for use in natural gas fired gas turbines. The hexaaluminate catalysts of this invention are of particular interest for methane combustion processes for minimization of the generation of undesired levels (less than about 10 ppm) of NOx species. Metal exchanged hexaaluminate oxidation catalysts are also useful for oxidation of volatile organic compounds (VOC), particularly hydrocarbons. Metal exchanged hexaaluminate oxidation catalysts are further useful for partial oxidation, particularly at high temperatures, of reduced species, particularly hydrocarbons (alkanes and alkenes).

  19. Method of dissolving metal oxides with di- or polyphosphonic acid and a redundant

    DOE Patents [OSTI]

    Horwitz, Earl P. (Argonne, IL); Chiarizia, Renato (Argonne, IL)

    1996-01-01

    A method of dissolving metal oxides using a mixture of a di- or polyphosphonic acid and a reductant wherein each is present in a sufficient amount to provide a synergistic effect with respect to the dissolution of metal oxides and optionally containing corrosion inhibitors and pH adjusting agents.

  20. Self assembled multi-layer nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Choi, Daiwon; Kou, Rong; Nie, Zimin; Wang, Donghai; Yang, Zhenguo

    2014-09-16

    Nanocomposite materials having at least two layers, each layer consisting of one metal oxide bonded to at least one graphene layer were developed. The nanocomposite materials will typically have many alternating layers of metal oxides and graphene layers, bonded in a sandwich type construction and will be incorporated into an electrochemical or energy storage device.

  1. Self assembled multi-layer nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Aksay, Ilhan A; Choi, Daiwon; Kou, Rong; Nie, Zimin; Wang, Donghai; Yang, Zhenguo

    2015-04-28

    Nanocomposite materials having at least two layers, each layer consisting of one metal oxide bonded to at least one graphene layer were developed. The nanocomposite materials will typically have many alternating layers of metal oxides and graphene layers, bonded in a sandwich type construction and will be incorporated into an electrochemical or energy storage device.

  2. Self assembled multi-layer nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Aksay, Ilhan A; Choi, Daiwon; Kou, Rong; Nie, Zimin; Wang, Donghai; Yang, Zhenguo

    2013-10-22

    Nanocomposite materials having at least two layers, each layer consisting of one metal oxide bonded to at least one graphene layer were developed. The nanocomposite materials will typically have many alternating layers of metal oxides and graphene layers, bonded in a sandwich type construction and will be incorporated into an electrochemical or energy storage device.

  3. Method of making metal oxide ceramic membranes with small pore sizes

    DOE Patents [OSTI]

    Anderson, Marc A. (Madison, WI); Xu, Qunyin (Madison, WI)

    1992-01-01

    A method for the production of metal oxide ceramic membranes is composed of very small pore size. The process is particularly useful in the creation of titanium and other transition metal oxide membranes. The method utilizes a sol-gel process in which the rate of particle formation is controlled by substituting a relatively large alcohol in the metal alkoxide and by limiting the available water. Stable, transparent metal oxide ceramic membranes are created having a narrow distribution of pore size, with the pore diameter being manipulable in the range of 5 to 40 Angstroms.

  4. Method of producing stable metal oxides and chalcogenides and power source

    DOE Patents [OSTI]

    Doddapaneni, Narayan (10516 Royal Birkdale, N.E., Albuquerque, NM 87111); Ingersoll, David (5824 Mimosa Pl., N.E., Albuquerque, NM 87111)

    1996-01-01

    A method of making chemically and electrochemically stable oxides or other chalcogenides for use as cathodes for power source applications, and of making batteries comprising such materials.

  5. Process and apparatus for generating elemental sulfur and re-usable metal oxide from spent metal sulfide sorbents

    DOE Patents [OSTI]

    Ayala, Raul E. (Clifton Park, NY); Gal, Eli (Lititz, PA)

    1995-01-01

    A process and apparatus for generating elemental sulfur and re-usable metal oxide from spent metal-sulfur compound. Spent metal-sulfur compound is regenerated to re-usable metal oxide by moving a bed of spent metal-sulfur compound progressively through a single regeneration vessel having a first and second regeneration stage and a third cooling and purging stage. The regeneration is carried out and elemental sulfur is generated in the first stage by introducing a first gas of sulfur dioxide which contains oxygen at a concentration less than the stoichiometric amount required for complete oxidation of the spent metal-sulfur compound. A second gas containing sulfur dioxide and excess oxygen at a concentration sufficient for complete oxidation of the partially spent metal-sulfur compound, is introduced into the second regeneration stage. Gaseous sulfur formed in the first regeneration stage is removed prior to introducing the second gas into the second regeneration stage. An oxygen-containing gas is introduced into the third cooling and purging stage. Except for the gaseous sulfur removed from the first stage, the combined gases derived from the regeneration stages which are generally rich in sulfur dioxide and lean in oxygen, are removed from the regenerator as an off-gas and recycled as the first and second gas into the regenerator. Oxygen concentration is controlled by adding air, oxygen-enriched air or pure oxygen to the recycled off-gas.

  6. Microbial-mediated method for metal oxide nanoparticle formation...

    Office of Scientific and Technical Information (OSTI)

    wherein said combination of reaction components comprise: metal-reducing microbes, a culture medium suitable for sustaining said metal-reducing microbes, an effective...

  7. Method for heat treating and sintering metal oxides with microwave radiation

    DOE Patents [OSTI]

    Holcombe, Cressie E. (Farragut, TN); Dykes, Norman L. (Oak Ridge, TN); Meek, Thomas T. (Knoxville, TN)

    1989-01-01

    A method for microwave sintering materials, primarily metal oxides, is described. Metal oxides do not normally absorb microwave radiation at temperatures ranging from about room temperature to several hundred degrees centrigrade are sintered with microwave radiation without the use of the heretofore required sintering aids. This sintering is achieved by enclosing a compact of the oxide material in a housing or capsule formed of a oxide which has microwave coupling properties at room temprature up to at least the microwave coupling temperature of the oxide material forming the compact. The heating of the housing effects the initial heating of the oxide material forming the compact by heat transference and then functions as a thermal insulator for the encased oxide material after the oxide material reaches a sufficient temperature to adequately absorb or couple with microwave radiation for heating thereof to sintering temperature.

  8. Extrusion of metal oxide superconducting wire, tube or ribbon

    DOE Patents [OSTI]

    Dusek, Joseph T. (Lombard, IL)

    1993-01-01

    A process for extruding a superconducting metal oxide composition YBa.sub.2 Cu.sub.3 O.sub.7-x provides a wire (tube or ribbon) having a cohesive mass and a degree of flexibility together with enhanced electrical properties. Wire diameters in the range of 6-85 mils have been produced with smaller wires on the order of 10 mils in diameter exhibiting enhanced flexibility for forming braided, or multistrand, configurations for greater current carrying capacity. The composition for extrusion contains a polymeric binder to provide a cohesive mass to bind the particles together during the extrusion process with the binder subsequently removed at lower temperatures during sintering. The composition for extrusion further includes a deflocculent, an organic plasticizer and a solvent which also are subsequently removed during sintering. Electrically conductive tubing with an inner diameter of 52 mil and an outer diameter of 87-355 mil has also been produced. Flat ribbons have been produced in the range of 10-125 mil thick by 100-500 mil wide. The superconducting wire, tube or ribbon may include an outer ceramic insulating sheath co-extruded with the wire, tubing or ribbon.

  9. Extrusion of metal oxide superconducting wire, tube or ribbon

    DOE Patents [OSTI]

    Dusek, Joseph T.

    1993-10-05

    A process for extruding a superconducting metal oxide composition YBa.sub.2 Cu.sub.3 O.sub.7-x provides a wire (tube or ribbon) having a cohesive mass and a degree of flexibility together with enhanced electrical properties. Wire diameters in the range of 6-85 mils have been produced with smaller wires on the order of 10 mils in diameter exhibiting enhanced flexibility for forming braided, or multistrand, configurations for greater current carrying capacity. The composition for extrusion contains a polymeric binder to provide a cohesive mass to bind the particles together during the extrusion process with the binder subsequently removed at lower temperatures during sintering. The composition for extrusion further includes a deflocculent, an organic plasticizer and a solvent which also are subsequently removed during sintering. Electrically conductive tubing with an inner diameter of 52 mil and an outer diameter of 87-355 mil has also been produced. Flat ribbons have been produced in the range of 10-125 mil thick by 100-500 mil wide. The superconducting wire, tube or ribbon may include an outer ceramic insulating sheath co-extruded with the wire, tubing or ribbon.

  10. Final LDRD report : metal oxide films, nanostructures, and heterostructures for solar hydrogen production.

    SciTech Connect (OSTI)

    Kronawitter, Coleman X.; Antoun, Bonnie R.; Mao, Samuel S.

    2012-01-01

    The distinction between electricity and fuel use in analyses of global power consumption statistics highlights the critical importance of establishing efficient synthesis techniques for solar fuels-those chemicals whose bond energies are obtained through conversion processes driven by solar energy. Photoelectrochemical (PEC) processes show potential for the production of solar fuels because of their demonstrated versatility in facilitating optoelectronic and chemical conversion processes. Tandem PEC-photovoltaic modular configurations for the generation of hydrogen from water and sunlight (solar water splitting) provide an opportunity to develop a low-cost and efficient energy conversion scheme. The critical component in devices of this type is the PEC photoelectrode, which must be optically absorptive, chemically stable, and possess the required electronic band alignment with the electrochemical scale for its charge carriers to have sufficient potential to drive the hydrogen and oxygen evolution reactions. After many decades of investigation, the primary technological obstacle remains the development of photoelectrode structures capable of efficient conversion of light with visible frequencies, which is abundant in the solar spectrum. Metal oxides represent one of the few material classes that can be made photoactive and remain stable to perform the required functions.

  11. Production of crystalline refractory metal oxides containing colloidal metal precipitates and useful as solar-effective absorbers

    DOE Patents [OSTI]

    Narayan, Jagdish (Knoxville, TN); Chen, Yok (Oak Ridge, TN)

    1983-01-01

    This invention is a new process for producing refractory crystalline oxides having improved or unusual properties. The process comprises the steps of forming a doped-metal crystal of the oxide; exposing the doped crystal in a bomb to a reducing atmosphere at superatmospheric pressure and a temperature effecting precipitation of the dopant metal in the crystal lattice of the oxide but insufficient to effect net diffusion of the metal out of the lattice; and then cooling the crystal. Preferably, the cooling step is effected by quenching. The process forms colloidal precipitates of the metal in the oxide lattice. The process may be used, for example, to produce thermally stable black MgO crystalline bodies containing magnetic colloidal precipitates consisting of about 99% Ni. The Ni-containing bodies are solar-selective absorbers, having a room-temperature absorptivity of about 0.96 over virtually all of the solar-energy spectrum and exhibiting an absorption edge in the region of 2 .mu.m. The process parameters can be varied to control the average size of the precipitates. The process can produce a black MgO crystalline body containing colloidal Ni precipitates, some of which have the face-centered-cubic structure and others of which have the body-centered cubic structure. The products of the process are metal-precipitate-containing refractory crystalline oxides which have improved or unique optical, mechanical, magnetic, and/or electronic properties.

  12. Reactivity of biogenic manganese oxide for metal sequestration and photochemistry: Computational solid state physics study

    SciTech Connect (OSTI)

    Kwon, K.D.; Sposito, G.

    2010-02-01

    Many microbes, including both bacteria and fungi, produce manganese (Mn) oxides by oxidizing soluble Mn(II) to form insoluble Mn(IV) oxide minerals, a kinetically much faster process than abiotic oxidation. These biogenic Mn oxides drive the Mn cycle, coupling it with diverse biogeochemical cycles and determining the bioavailability of environmental contaminants, mainly through strong adsorption and redox reactions. This mini review introduces recent findings based on quantum mechanical density functional theory that reveal the detailed mechanisms of toxic metal adsorption at Mn oxide surfaces and the remarkable role of Mn vacancies in the photochemistry of these minerals.

  13. Biosensor and chemical sensor probes for calcium and other metal ions

    DOE Patents [OSTI]

    Vo-Dinh, Tuan (Knoxville, TN); Viallet, Pierre (Perpignan, FR)

    1996-01-01

    The present invention relates to chemical sensor and biosensor probes for measuring low concentration of metals and metal ions in complex samples such as biological fluids, living cells, and environmental samples. More particularly the present invention relates to a gel-based Indo-1 and Fura-2 chemical sensor probes for the measurement of low concentrations of calcium, cadmium, magnesium and the like. Also disclosed is a detector device using the sensors of the present invention.

  14. Method for the rapid synthesis of large quantities of metal oxide nanowires at low temperatures

    DOE Patents [OSTI]

    Sunkara, Mahendra Kumar (Louisville, KY); Vaddiraju, Sreeram (Mountain View, CA); Mozetic, Miran (Ljubljan, SI); Cvelbar, Uros (Idrija, SI)

    2009-09-22

    A process for the rapid synthesis of metal oxide nanoparticles at low temperatures and methods which facilitate the fabrication of long metal oxide nanowires. The method is based on treatment of metals with oxygen plasma. Using oxygen plasma at low temperatures allows for rapid growth unlike other synthesis methods where nanomaterials take a long time to grow. Density of neutral oxygen atoms in plasma is a controlling factor for the yield of nanowires. The oxygen atom density window differs for different materials. By selecting the optimal oxygen atom density for various materials the yield can be maximized for nanowire synthesis of the metal.

  15. High Catalytic Activity of Au/CeOx/TiO2(110) Controlled by the Nature of the Mixed Metal Oxide at the Nanometer Level

    SciTech Connect (OSTI)

    Park, J.; Graciani, J; Evans, J; Stacchiola, D; Ma, S; Liu, P; Nambu, A; Sanz, J; Hrbek, J; et. al.

    2009-01-01

    Mixed-metal oxides play a very important role in many areas of chemistry, physics, materials science, and geochemistry. Recently, there has been a strong interest in understanding phenomena associated with the deposition of oxide nanoparticles on the surface of a second (host) oxide. Here, scanning tunneling microscopy, photoemission, and density-functional calculations are used to study the behavior of ceria nanoparticles deposited on a TiO2(110) surface. The titania substrate imposes nontypical coordination modes on the ceria nanoparticles. In the CeOx/TiO2(110) systems, the Ce cations adopt an structural geometry and an oxidation state (+3) that are quite different from those seen in bulk ceria or for ceria nanoparticles deposited on metal substrates. The increase in the stability of the Ce3+ oxidation state leads to an enhancement in the chemical and catalytic activity of the ceria nanoparticles. The codeposition of ceria and gold nanoparticles on a TiO2(110) substrate generates catalysts with an extremely high activity for the production of hydrogen through the water-gas shift reaction (H2O + CO ? H2 + CO2) or for the oxidation of carbon monoxide (2CO + O2 ? 2CO2). The enhanced stability of the Ce3+ state is an example of structural promotion in catalysis described here on the atomic level. The exploration of mixed-metal oxides at the nanometer level may open avenues for optimizing catalysts through stabilization of unconventional surface structures with special chemical activity.

  16. X-Ray Absorption Studies of Vanadium-Containing Metal Oxide Nanocrystals

    SciTech Connect (OSTI)

    Hohn, Keith, L.

    2006-01-09

    Metal oxide nanocrystals offer significant potential for use as catalysts or catalyst supports due to their high surface areas and unique chemical properties that result from the high number of exposed corners and edges. However, little is known about the catalytic activity of these materials, especially as oxidation catalysts. This research focused on the preparation, characterization and use of vanadium-containing nanocrystals as selective oxidation catalysts. Three vanadium-containing nanocrystals were prepared using a modified sol-gel procedure: V/MgO, V/SiO2, and vanadium phosphate (VPO). These represent active oxidation catalysts for a number of industrially relevant reactions. The catalysts were characterized by x-ray diffraction and Raman, UV-VIS, infrared and x-ray absorption spectroscopies with the goal of determining the primary structural and chemical differences between nanocrystals and microcrystals. The catalytic activity of these catalysts was also studied in oxidative dehydrogenation of butane and methanol oxidation to formaldehyde. V/MgO nanocrystals were investigated for activity in oxidative dehydrogenation of butane and compared to conventional V/MgO catalysts. Characterization of V/MgO catalysts using Raman spectroscopy and x-ray absorption spectroscopy showed that both types of catalysts contained magnesium orthovanadate at vanadium loadings below 15 weight%, but above that loading, magnesium pyrovanadate may have been present. In general, MgO nanocrystals had roughly half the crystal size and double the surface area of the conventional MgO. In oxidative dehydrogenation of butane, nanocrystalline V/MgO gave higher selectivity to butene than conventional V/MgO at the same conversion. This difference was attributed to differences in vanadium domain size resulting from the higher surface areas of the nanocrystalline support, since characterization suggested that similar vanadium phases were present on both types of catalysts. Experiments in methanol oxidation were used to probe the chemical differences between sol-gel prepared and conventionally prepared metal oxides. Both V/MgO and V/SiO2 were studied. For both catalysts, similar product selectivities were noted for either preparation method, suggesting similar acid/base and redox properties for the catalysts. At lower weight loadings (<5%), activity was also similar, but at higher weight loadings the sol-gel prepared catalysts were more active. This was attributed to the greater dispersion of vanadium on sol-gel prepared catalysts, and it was suggested that small vanadium oxide domains were more active in methanol oxidation than polymeric and bulk domains. A novel sol-gel method was developed for preparation of VPO catalysts, which are used industrially in butane oxidation to maleic anhydride. In this method vanadium (V) triisopropoxide was reacted with orthophosphoric acid in THF to form a gel. Drying this gel under air resulted in an intercalated VOPO4 compound, where solvent molecules were trapped between layers of the vanadium phosphate compound. Higher surface areas could be achieved by drying this gel at high pressure in an autoclave. The amount of solvent (THF) placed in the autoclave was important in this process. Low amounts of solvent led to a lower surface area, as the solvent evaporated before reaching the critical point and collapsed the gel's pores. In addition, vanadium reduction occurred in the autoclave due to reaction of isopropanol with the vanadium phosphate. Higher amounts of THF reduced the concentration of isopropanol, leading to less reduction. Surfaces areas in excess of 100 m2/g were achieved with this method, and the product was confirmed through XPS and IR to be VOHPO4*0.5H2O, the common precursor for industrial VPO catalysts. Furthermore, this product displayed a platelet morphology, which is desirable for butane oxidation. Further work showed that this material could be transformed to (VO)2P2O7 (the industrial catalyst for butane oxidation to maleic anhydride) by heating under nitrogen without losing much surface are

  17. Long-term research in Japan: amorphous metals, metal oxide varistors, high-power semiconductors and superconducting generators

    SciTech Connect (OSTI)

    Hane, G.J.; Yorozu, M.; Sogabe, T.; Suzuki, S.

    1985-04-01

    The review revealed that significant activity is under way in the research of amorphous metals, but that little fundamental work is being pursued on metal oxide varistors and high-power semiconductors. Also, the investigation of long-term research program plans for superconducting generators reveals that activity is at a low level, pending the recommendations of a study currently being conducted through Japan's Central Electric Power Council.

  18. Alkane oxidation with porphyrins and metal complexes thereof having haloalkyl side chains

    DOE Patents [OSTI]

    Wijesekera, Tilak; Lyons, James E.; Ellis, Jr., Paul E.; Bhinde, Manoj V.

    1998-01-01

    Transition metal complexes of meso-haloalkylporphyrins, wherein the haloalkyl groups contain 2 to 8 carbon atoms have been found to be highly effective catalysts for oxidation of alkanes and for the decomposition of hydroperoxides.

  19. Alkane oxidation with porphyrins and metal complexes thereof having haloalkyl side chains

    DOE Patents [OSTI]

    Wijesekera, T.; Lyons, J.E.; Ellis, P.E. Jr.; Bhinde, M.V.

    1998-06-23

    Transition metal complexes of meso-haloalkylporphyrins are disclosed, wherein the haloalkyl groups contain 2 to 8 carbon atoms have been found to be highly effective catalysts for oxidation of alkanes and for the decomposition of hydroperoxides. 7 figs.

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

    Office of Scientific and Technical Information (OSTI)

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

  1. Revealing the True Nature of a Metal Oxide | The Ames Laboratory

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

    Revealing the True Nature of a Metal Oxide Extensive calculations revealed that the calcium-iridium-oxygen compound CaIrO3 is a Slater-type insulator, putting to rest the debate of...

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

    Office of Scientific and Technical Information (OSTI)

    Reduction Reactions at the Metal Contact-TlBr Interface: An X-ray Photoelectron Spectroscopy Study Citation Details In-Document Search Title: OxidationReduction Reactions at...

  3. Thermal and Physical Properties of Plutonium Dioxide Produced from the Oxidation of Metal: a Data Summary

    SciTech Connect (OSTI)

    Wayne, David M.

    2014-01-13

    The ARIES Program at the Los Alamos National Laboratory removes plutonium metal from decommissioned nuclear weapons, and converts it to plutonium dioxide in a specially-designed Direct Metal Oxidation furnace. The plutonium dioxide is analyzed for specific surface area, particle size distribution, and moisture content. The purpose of these analyses is to certify that the plutonium dioxide powder meets or exceeds the specifications of the end-user, and the specifications for the packaging and transport of nuclear materials. Analytical results from plutonium dioxide from ARIES development activities, from ARIES production activities, from muffle furnace oxidation of metal, and from metal that was oxidized over a lengthy time interval in air at room temperature, are presented. The processes studied produce plutonium dioxide powder with distinct differences in measured properties, indicating the significant influence of oxidation conditions on physical properties.

  4. Additional capacities seen in metal oxide lithium-ion battery electrodes

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Additional capacities seen in metal oxide lithium-ion battery electrodes Citation Details In-Document Search Title: Additional capacities seen in metal oxide lithium-ion battery electrodes Authors: Hu, Yan-Yan ; Liu, Zigeng ; Nam, Kyung-Wan ; Borkiewicz, Olaf ; Cheng, Jun ; Hua, Xiao ; Dunstan, Matthew ; Yu, Xiqian ; Wiaderek, Kamila ; Du, Lin-Shu ; Chapman, Karena W. ; Chupas, Peter J. ; Yang, Xiao-Qing ;

  5. Spillover-Assisted Hydrogen Evolution at Si-based Metal-Oxide-Semiconductor

    Office of Scientific and Technical Information (OSTI)

    Photoelectrodes. (Journal Article) | SciTech Connect Spillover-Assisted Hydrogen Evolution at Si-based Metal-Oxide-Semiconductor Photoelectrodes. Citation Details In-Document Search Title: Spillover-Assisted Hydrogen Evolution at Si-based Metal-Oxide-Semiconductor Photoelectrodes. Authors: Talin, Albert Alec ; Esposito, Daniel V. ; Levin, Igor ; Moffat, Thomas P. Publication Date: 2012-12-01 OSTI Identifier: 1063415 Report Number(s): SAND2012-10868J DOE Contract Number: AC04-94AL85000

  6. Thermochemical cycle of a mixed metal oxide for augmentation of thermal

    Office of Scientific and Technical Information (OSTI)

    energy storage in solid particles. (Conference) | SciTech Connect Thermochemical cycle of a mixed metal oxide for augmentation of thermal energy storage in solid particles. Citation Details In-Document Search Title: Thermochemical cycle of a mixed metal oxide for augmentation of thermal energy storage in solid particles. Abstract not provided. Authors: Ehrhart, Brian David ; Coker, Eric Nicholas ; Siegel, Nathan Phillip ; Weimer, Alan Wesley. Publication Date: 2013-06-01 OSTI Identifier:

  7. Geochemical, metagenomic and metaproteomic insights into trace metal utilization by methane-oxidizing microbial consortia in sulfidic marine sediments

    SciTech Connect (OSTI)

    Glass, DR. Jennifer; Yu, DR. Hang; Steele, Joshua; Dawson, Katherine; Sun, S; Chourey, Karuna; Hettich, Robert {Bob} L; Orphan, V

    2014-01-01

    Microbes have obligate requirements for trace metals in metalloenzymes that catalyze important biogeochemical reactions. In anoxic methane- and sulfide-rich environments, microbes may have unique adaptations for metal acquisition and utilization due to decreased bioavailability as a result of metal sulfide precipitation. However, micronutrient cycling is largely unexplored in cold ( 10 C) and sulfidic (>1 mM H2S) deep-sea methane seep ecosystems. We investigated trace metal geochemistry and microbial metal utilization in methane seeps offshore Oregon and California, USA, and report dissolved concentrations of nickel (0.5-270 nM), cobalt (0.5-6 nM), molybdenum (10-5,600 nM) and tungsten (0.3-8 nM) in Hydrate Ridge sediment porewaters. Despite low levels of cobalt and tungsten, metagenomic and metaproteomic data suggest that microbial consortia catalyzing anaerobic oxidation of methane utilize both scarce micronutrients in addition to nickel and molybdenum. Genetic machinery for cobalt-containing vitamin B12 biosynthesis was present in both anaerobic methanotrophic archaea (ANME) and sulfate-reducing bacteria (SRB). Proteins affiliated with the tungsten-containing form of formylmethanofuran dehydrogenase were expressed in ANME from two seep ecosystems, the first evidence for expression of a tungstoenzyme in psychrotolerant microorganisms. Finally, our data suggest that chemical speciation of metals in highly sulfidic porewaters may exert a stronger influence on microbial bioavailability than total concentration

  8. Formation of amorphous metal alloys by chemical vapor deposition

    DOE Patents [OSTI]

    Mullendore, A.W.

    1988-03-18

    Amorphous alloys are deposited by a process of thermal dissociation of mixtures of organometallic compounds and metalloid hydrides,e.g., transition metal carbonyl, such as nickel carbonyl and diborane. Various sizes and shapes of deposits can be achieved, including near-net-shape free standing articles, multilayer deposits, and the like. Manipulation or absence of a magnetic field affects the nature and the structure of the deposit. 1 fig.

  9. Formation of amorphous metal alloys by chemical vapor deposition

    DOE Patents [OSTI]

    Mullendore, Arthur W.

    1990-01-01

    Amorphous alloys are deposited by a process of thermal dissociation of mixtures or organometallic compounds and metalloid hydrides, e.g., transition metal carbonyl such as nickel carbonyl, and diborane. Various sizes and shapes of deposits can be achieved, including near-net-shape free standing articles, multilayer deposits, and the like. Manipulation or absence of a magnetic field affects the nature and the structure of the deposit.

  10. Porous desulfurization sorbent pellets containing a reactive metal oxide and an inert zirconium compound

    SciTech Connect (OSTI)

    Gardner, Todd H.; Gasper-Galvin, Lee D.

    1996-12-01

    Sorbent pellets for removing hydrogen sulfide from coal gas are prepared by combining a reactive oxide, in particular zinc oxide, with a zirconium compound such as an oxide, silicate, or aluminate of zirconium, and an inorganic binder and pelletizing and calcining the mixture. Alternately, the zinc oxide may be replaced by copper oxide or a combination of copper, molybdenum, and manganese oxides. The pellet components may be mixed in dry form, moistened to produce a paste, and converted to pellets by forming an aqueous slurry of the components and spray drying the slurry, or the reactive oxide may be formed on existing zirconium-containing catalyst-carrier pellets by infusing a solution of a salt of the active metal onto the existing pellets and firing at a high temperature to produce the oxide. Pellets made according to this invention show a high reactivity with hydrogen sulfide and durability such as to be useful over repeated cycles of sorption and regeneration.

  11. NREL Demonstrates Efficient Solar Water Splitting by Metal Oxide...

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

    energy sources. Production of O 2 is the only scalable and renewable oxidation that can balance these fuel-forming reduction reactions. However, few materials have the necessary...

  12. Thermal conversion of biomass to valuable fuels, chemical feedstocks and chemicals

    DOE Patents [OSTI]

    Peters, William A. (Lexington, MA); Howard, Jack B. (Winchester, MA); Modestino, Anthony J. (Hanson, MA); Vogel, Fredreric (Villigen PSI, CH); Steffin, Carsten R. (Herne, DE)

    2009-02-24

    A continuous process for the conversion of biomass to form a chemical feedstock is described. The biomass and an exogenous metal oxide, preferably calcium oxide, or metal oxide precursor are continuously fed into a reaction chamber that is operated at a temperature of at least 1400.degree. C. to form reaction products including metal carbide. The metal oxide or metal oxide precursor is capable of forming a hydrolizable metal carbide. The reaction products are quenched to a temperature of 800.degree. C. or less. The resulting metal carbide is separated from the reaction products or, alternatively, when quenched with water, hydolyzed to provide a recoverable hydrocarbon gas feedstock.

  13. Characterization of a Fe/Y{sub 2}O{sub 3} metal/oxide interface using neutron and x-ray scattering

    SciTech Connect (OSTI)

    Watkins, E. B.; Majewski, J. E-mail: jarek@lanl.gov; Kashinath, A.; Wang, P.; Baldwin, J. K.; Demkowicz, M. J. E-mail: jarek@lanl.gov

    2014-07-28

    The structure of metal/oxide interfaces is important to the radiation resistance of oxide dispersion-strengthened steels. We find evidence of gradual variations in stoichiometry and magnetization across a Fe/Y{sub 2}O{sub 3} metal/oxide heterophase interface using neutron and x-ray reflectometry. These findings suggest that the Fe/Y{sub 2}O{sub 3} interface is a transitional zone approximately ?64?-thick containing mixtures or compounds of Fe, Y, and O. Our results illustrate the complex chemical and magnetic nature of Fe/oxide interfaces and demonstrate the utility of combined neutron and x-ray techniques as tools for characterizing them.

  14. Synthesis of high T.sub.C superconducting coatings and patterns by melt writing and oxidation of metallic precursor alloys

    DOE Patents [OSTI]

    Gao, Wei (Somerville, MA); Vander Sande, John B. (Newbury, MA)

    1998-01-01

    A method is provided for fabrication of superconducting oxides and superconducting oxide composites and for joining superconductors to other materials. A coating of a molten alloy containing the metallic elements of the oxide is applied to a substrate surface and oxidized to form the superconducting oxide. A material can be contacted to the molten alloy which is subsequently oxidized joining the material to the resulting superconducting oxide coating. Substrates of varied composition and shape can be coated or joined by this method.

  15. Chemical and biological extraction of metals present in E waste: A hybrid technology

    SciTech Connect (OSTI)

    Pant, Deepak; Joshi, Deepika; Upreti, Manoj K.; Kotnala, Ravindra K.

    2012-05-15

    Highlights: Black-Right-Pointing-Pointer Hybrid methodology for E waste management. Black-Right-Pointing-Pointer Efficient extraction of metals. Black-Right-Pointing-Pointer Trace metal extraction is possible. - Abstract: Management of metal pollution associated with E-waste is widespread across the globe. Currently used techniques for the extraction of metals from E-waste by using either chemical or biological leaching have their own limitations. Chemical leaching is much rapid and efficient but has its own environmental consequences, even the future prospects of associated nanoremediation are also uncertain. Biological leaching on the other hand is comparatively a cost effective technique but at the same moment it is time consuming and the complete recovery of the metal, alone by biological leaching is not possible in most of the cases. The current review addresses the individual issues related to chemical and biological extraction techniques and proposes a hybrid-methodology which incorporates both, along with safer chemicals and compatible microbes for better and efficient extraction of metals from the E-waste.

  16. Observation of complete space-charge-limited transport in metal-oxide-graphene heterostructure

    SciTech Connect (OSTI)

    Chen, Wei; Wang, Fei; Fang, Jingyue; Wang, Guang; Qin, Shiqiao; Zhang, Xue-Ao E-mail: xazhang@nudt.edu.cn; Wang, Chaocheng; Wang, Li E-mail: xazhang@nudt.edu.cn

    2015-01-12

    The metal-oxide-graphene heterostructures have abundant physical connotations. As one of the most important physical properties, the electric transport property of the gold-chromium oxide-graphene heterostructure has been studied. The experimental measurement shows that the conductive mechanism is dominated by the space-charge-limited transport, a kind of bulk transport of an insulator with charge traps. Combining the theoretical analysis, some key parameters such as the carrier mobility and trap energy also are obtained. The study of the characteristics of the metal-oxide-graphene heterostructures is helpful to investigate the graphene-based electronic and photoelectric devices.

  17. Ultra-low contact resistance at an epitaxial metal/oxide heterojunction through interstitial site doping

    SciTech Connect (OSTI)

    Chambers, Scott A.; Gu, Meng; Sushko, Petr V.; Yang, Hao; Wang, Chong M.; Browning, Nigel D.

    2013-08-07

    The ability to form reliable, low-resistance Ohmic contacts is of critical importance to the ongoing development of oxide electronics. Most metals form Schottky barriers when deposited on oxide surfaces. Ohmic contacts rarely occur, and the associated contact resistances are not particularly low. Little is known at an atomistic level about what leads to a good Ohmic contact on a wide-gap oxide. Here we describe the structure of a simple, yet exceptionally low-contact resistance Ohmic metal on an important oxide semiconductor -- epitaxial Cr on Nb-doped SrTiO3(001). Heteroepitaxial growth is accompanied by Cr diffusion into the STO and occupation of interstitial sites within the first few atomic planes. Interstitial Cr is ionized and the resulting electrons occupy the STO conduction band, resulting in effective metallization near the interface.

  18. Chemical vapor deposition of fluorine-doped zinc oxide

    DOE Patents [OSTI]

    Gordon, Roy G.; Kramer, Keith; Liang, Haifan

    2000-06-06

    Fims of fluorine-doped zinc oxide are deposited from vaporized precursor compounds comprising a chelate of a dialkylzinc, such as an amine chelate, an oxygen source, and a fluorine source. The coatings are highly electrically conductive, transparent to visible light, reflective to infrared radiation, absorbing to ultraviolet light, and free of carbon impurity.

  19. Plasma enhanced chemical vapor deposition (PECVD) method of forming vanadium oxide films and vanadium oxide thin-films prepared thereby

    DOE Patents [OSTI]

    Zhang, Ji-Guang (Golden, CO); Tracy, C. Edwin (Golden, CO); Benson, David K. (Golden, CO); Turner, John A. (Littleton, CO); Liu, Ping (Lakewood, CO)

    2000-01-01

    A method is disclosed of forming a vanadium oxide film on a substrate utilizing plasma enhanced chemical vapor deposition. The method includes positioning a substrate within a plasma reaction chamber and then forming a precursor gas comprised of a vanadium-containing chloride gas in an inert carrier gas. This precursor gas is then mixed with selected amounts of hydrogen and oxygen and directed into the reaction chamber. The amounts of precursor gas, oxygen and hydrogen are selected to optimize the final properties of the vanadium oxide film An rf plasma is generated within the reaction chamber to chemically react the precursor gas with the hydrogen and the oxygen to cause deposition of a vanadium oxide film on the substrate while the chamber deposition pressure is maintained at about one torr or less. Finally, the byproduct gases are removed from the plasma reaction chamber.

  20. Method of producing stable metal oxides and chalcogenides and power source

    DOE Patents [OSTI]

    Doddapaneni, N.; Ingersoll, D.

    1996-10-22

    A method is described for making chemically and electrochemically stable oxides or other chalcogenides for use as cathodes for power source applications, and of making batteries comprising such materials. 6 figs.

  1. Liquidus temperature and chemical durability of selected glasses to immobilize rare earth oxides waste

    SciTech Connect (OSTI)

    Mohd Fadzil, Syazwani Binti; Hrma, Pavel R.; Schweiger, Michael J.; Riley, Brian J.

    2015-06-30

    Pyroprocessing is a reprocessing method for managing and reusing used nuclear fuel (UNF) by dissolving it in an electrorefiner with a molten alkali or alkaline earth chloride salt mixture while avoiding wet reprocessing. Pyroprocessing UNF with a LiCl-KCl eutectic salt releases the fission products from the fuel and generates a variety of metallic and salt-based species, including rare earth (RE) chlorides. If the RE-chlorides are converted to oxides, borosilicate glass is a prime candidate for their immobilization because of its durability and ability to dissolve almost any RE waste component into the matrix at high loadings. Crystallization that occurs in waste glasses as the waste loading increases may complicate glass processing and affect the product quality. This work compares three types of borosilicate glasses in terms of liquidus temperature (TL): the International Simple Glass designed by the International Working Group, sodium borosilicate glass developed by Korea Hydro and Nuclear Power, and the lanthanide aluminoborosilicate (LABS) glass established in the United States. The LABS glass allows the highest waste loadings (over 50 mass% RE2O3) while possessing an acceptable chemical durability.

  2. Metal Oxide Semiconductor Nanoparticles Open the Door to New...

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

    for targeting, initiation and control of in vitro and in vivo chemical reactions in biological molecules Commercial applications include synthetic DNARNA endonucleases, gene...

  3. Method of nitriding, carburizing, or oxidizing refractory metal articles using microwaves

    DOE Patents [OSTI]

    Holcombe, Cressie E. (Knoxville, TN); Dykes, Norman L. (Oak Ridge, TN); Tiegs, Terry N. (Lenoir City, TN)

    1992-01-01

    A method of nitriding an article of refractory-nitride-forming metal or metalloids. A consolidated metal or metalloid article is placed inside a microwave oven and nitrogen containing gas is introduced into the microwave oven. The metal or metalloid article is heated to a temperature sufficient to react the metal or metalloid with the nitrogen by applying a microwave energy within the microwave oven. The metal or metalloid article is maintained at that temperature for a period of time sufficient to convert the article of metal or metalloid to an article of refractory nitride. in addition, a method of applying a coating, such as a coating of an oxide, a carbide, or a carbo-nitride, to an article of metal or metalloid by microwave heating.

  4. Method of nitriding, carburizing, or oxidizing refractory metal articles using microwaves

    DOE Patents [OSTI]

    Holcombe, C.E.; Dykes, N.L.; Tiegs, T.N.

    1992-10-13

    A method of nitriding an article of refractory-nitride-forming metal or metalloids. A consolidated metal or metalloid article is placed inside a microwave oven and nitrogen containing gas is introduced into the microwave oven. The metal or metalloid article is heated to a temperature sufficient to react the metal or metalloid with the nitrogen by applying a microwave energy within the microwave oven. The metal or metalloid article is maintained at that temperature for a period of time sufficient to convert the article of metal or metalloid to an article of refractory nitride. in addition, a method of applying a coating, such as a coating of an oxide, a carbide, or a carbo-nitride, to an article of metal or metalloid by microwave heating.

  5. Bacterial Production of Mixed Metal Oxide Nanoparticles - Energy...

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

    may be applied to cultures of a variety of metal-reducing bacteria to reduce the toxicity of dopant species to bacteria. In addition, the method provides a means by which...

  6. Tuning the Metal-Adsorbate Chemical Bond through the Ligand Effect on

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

    Platinum Subsurface Alloys | Stanford Synchrotron Radiation Lightsource Tuning the Metal-Adsorbate Chemical Bond through the Ligand Effect on Platinum Subsurface Alloys Tuesday, July 31, 2012 The ability to design and control the activities of transition metal catalysts, which are scarce in nature and thus expensive, has been of great importance to the development of economical industrial and energy-saving processes. Over the years several methods have been suggested, especially for

  7. DOE - Office of Legacy Management -- Ferro Metal and Chemical Co - NY 42

    Office of Legacy Management (LM)

    Ferro Metal and Chemical Co - NY 42 FUSRAP Considered Sites Site: Ferro Metal & Chemical Co. (NY.42 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: 50 Broad Street , New York , New York NY.42-1 NY.42-2 Evaluation Year: 1987 NY.42-2 Site Operations: Procured uranium from foreign sources. No record of radioactive material at this site NY.42-1 NY.42-2 Site Disposition: Eliminated - No indication that radioactive materials were used at

  8. Metal regeneration of iron chelates in nitric oxide scrubbing

    DOE Patents [OSTI]

    Chang, Shih-Ger (El Cerrito, CA); Littlejohn, David (Oakland, CA); Shi, Yao (Berkeley, CA)

    1997-08-19

    The present invention relates to a process of using metal particles to reduce NO to NH.sub.3. More specifically, the invention concerns an improved process to regenerate iron (II) (CHELATE) by reduction of iron (II) (CHELATE) (NO) complex, which process comprises: a) contacting an aqueous solution containing iron (II) (CHELATE) (NO) with metal particles at between about 20.degree. and 90.degree. C. to reduce NO present, produce ammonia or an ammonium ion, and produce free iron (II) (CHELATE) at a pH of between about 3 and 8. The process is useful to remove NO from flue gas and reduce pollution.

  9. Metal regeneration of iron chelates in nitric oxide scrubbing

    DOE Patents [OSTI]

    Chang, S.G.; Littlejohn, D.; Shi, Y.

    1997-08-19

    The present invention relates to a process of using metal particles to reduce NO to NH{sub 3}. More specifically, the invention concerns an improved process to regenerate iron (II) (CHELATE) by reduction of iron (II) (CHELATE) (NO) complex, which process comprises: (a) contacting an aqueous solution containing iron (II) (CHELATE) (NO) with metal particles at between about 20 and 90 C to reduce NO present, produce ammonia or an ammonium ion, and produce free iron (II) (CHELATE) at a pH of between about 3 and 8. The process is useful to remove NO from flue gas and reduce pollution. 34 figs.

  10. Band gap tuning in transition metal oxides by site-specific substitution

    DOE Patents [OSTI]

    Lee, Ho Nyung; Chisholm, Jr., Matthew F; Jellison, Jr., Gerald Earle; Singh, David J; Choi, Woo Seok

    2013-12-24

    A transition metal oxide insulator composition having a tuned band gap includes a transition metal oxide having a perovskite or a perovskite-like crystalline structure. The transition metal oxide includes at least one first element selected form the group of Bi, Ca, Ba, Sr, Li, Na, Mg, K, Pb, and Pr; and at least one second element selected from the group of Ti, Al, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Rh, Hf, Ta, W, Re, Os, Ir, and Pt. At least one correlated insulator is integrated into the crystalline structure, including REMO.sub.3, wherein RE is at least one Rare Earth element, and wherein M is at least one element selected from the group of Co, V, Cr, Ni, Mn, and Fe. The composition is characterized by a band gap of less of 4.5 eV.

  11. Mesoporous metal oxide microsphere electrode compositions and their methods of making

    DOE Patents [OSTI]

    Parans Paranthaman, Mariappan; Bi, Zhonghe; Bridges, Craig A; Brown, Gilbert M

    2014-12-16

    Compositions and methods of making are provided for treated mesoporous metal oxide microspheres electrodes. The compositions comprise (a) microspheres with an average diameter between 200 nanometers (nm) and 10 micrometers (.mu.m); (b) mesopores on the surface and interior of the microspheres, wherein the mesopores have an average diameter between 1 nm and 50 nm and the microspheres have a surface area between 50 m.sup.2/g and 500 m.sup.2/g, and wherein the composition has an electrical conductivity of at least 1.times.10.sup.-7 S/cm at 25.degree. C. and 60 MPa. The methods of making comprise forming a mesoporous metal oxide microsphere composition and treating the mesoporous metal oxide microspheres by at least one method selected from the group consisting of: (i) annealing in a reducing atmosphere, (ii) doping with an aliovalent element, and (iii) coating with a coating composition.

  12. Chemical and Radiochemical Composition of Thermally Stabilized Plutonium Oxide from the Plutonium Finishing Plant Considered as Alternate Feedstock for the Mixed Oxide Fuel Fabrication Facility

    SciTech Connect (OSTI)

    Tingey, Joel M.; Jones, Susan A.

    2005-07-01

    Eighteen plutonium oxide samples originating from the Plutonium Finishing Plant (PFP) on the Hanford Site were analyzed to provide additional data on the suitability of PFP thermally stabilized plutonium oxides and Rocky Flats oxides as alternate feedstock to the Mixed Oxide Fuel Fabrication Facility (MFFF). Radiochemical and chemical analyses were performed on fusions, acid leaches, and water leaches of these 18 samples. The results from these destructive analyses were compared with nondestructive analyses (NDA) performed at PFP and the acceptance criteria for the alternate feedstock. The plutonium oxide materials considered as alternate feedstock at Hanford originated from several different sources including Rocky Flats oxide, scrap from the Remote Mechanical C-Line (RMC) and the Plutonium Reclamation Facility (PRF), and materials from other plutonium conversion processes at Hanford. These materials were received at PFP as metals, oxides, and solutions. All of the material considered as alternate feedstock was converted to PuO2 and thermally stabilized by heating the PuO2 powder at 950 C in an oxidizing environment. The two samples from solutions were converted to PuO2 by precipitation with Mg(OH)2. The 18 plutonium oxide samples were grouped into four categories based on their origin. The Rocky Flats oxide was divided into two categories, low- and high-chloride Rocky Flats oxides. The other two categories were PRF/RMC scrap oxides, which included scrap from both process lines and oxides produced from solutions. The two solution samples came from samples that were being tested at Pacific Northwest National Laboratory because all of the plutonium oxide from solutions at PFP had already been processed and placed in 3013 containers. These samples originated at the PFP and are from plutonium nitrate product and double-pass filtrate solutions after they had been thermally stabilized. The other 16 samples originated from thermal stabilization batches before canning at PFP. Samples varied in appearance depending on the original source of material. Rocky Flats items were mostly dark olive green with clumps that crushed easily with a mortar and pestle. PRF/RMC items showed more variability. These items were mostly rust colored. One sample contained white particles that were difficult to crush, and another sample was a dark grey with a mixture of fines and large, hard fragments. The appearance and feel of the fragments indicated they might be an alloy. The color of the solution samples was indicative of the impurities in the sample. The double-pass filtrate solution was a brown color indicative of the iron impurities in the sample. The other solution sample was light gray in color. Radiochemical analyses, including thermal ionization mass spectrometry (TIMS), alpha and gamma energy analysis (AEA and GEA), and kinetic phosphorescence analysis (KPA), indicate that these materials are all weapons-grade plutonium with consistent plutonium isotopics. A small amount of uranium (<0.14 wt%) is also present in these samples. The isotopic composition of the uranium varied widely but was consistent among each category of material. The primary water-soluble anions in these samples were Cl-, NO3-, SO42-, and PO43-. The only major anion observed in the Rocky Flats materials was Cl-, but the PRF/RMC samples had significant quantities of all of the primary anions observed. Prompt gamma measurements provide a representative analysis of the Cl- concentration in the bulk material. The primary anions observed in the solution samples were NO3-, and PO43-. The concentration of these anions did not exceed the mixed oxide (MOX) specification limits. Cations that exceeded the MOX specification limits included Cr, Fe, Ni, Al, Cu, and Si. All of the samples exceeded at least the 75% specification limit in one element.

  13. Electrocatalytic Activity of Transition Metal Oxide-Carbon Composites for Oxygen Reduction in Alkaline Batteries and Fuel Cells

    SciTech Connect (OSTI)

    Malkhandi, S; Trinh, P; Manohar, AK; Jayachandrababu, KC; Kindler, A; Prakash, GKS; Narayanan, SR

    2013-06-07

    Conductive transition metal oxides (perovskites, spinels and pyrochlores) are attractive as catalysts for the air electrode in alkaline rechargeable metal-air batteries and fuel cells. We have found that conductive carbon materials when added to transition metal oxides such as calcium-doped lanthanum cobalt oxide, nickel cobalt oxide and calcium-doped lanthanum manganese cobalt oxide increase the electrocatalytic activity of the oxide for oxygen reduction by a factor of five to ten. We have studied rotating ring-disk electrodes coated with (a) various mass ratios of carbon and transition metal oxide, (b) different types of carbon additives and (c) different types of transition metal oxides. Our experiments and analysis establish that in such composite catalysts, carbon is the primary electro- catalyst for the two-electron electro-reduction of oxygen to hydroperoxide while the transition metal oxide decomposes the hydroperoxide to generate additional oxygen that enhances the observed current resulting in an apparent four-electron process. These findings are significant in that they change the way we interpret previous reports in the scientific literature on the electrocatalytic activity of various transition metal oxide- carbon composites for oxygen reduction, especially where carbon is assumed to be an additive that just enhances the electronic conductivity of the oxide catalyst. (C) 2013 The Electrochemical Society. All rights reserved.

  14. Determination of Interfacial Adhesion Strength between Oxide Scale and Substrate for Metallic SOFC Interconnects

    SciTech Connect (OSTI)

    Sun, Xin; Liu, Wenning N.; Stephens, Elizabeth V.; Khaleel, Mohammad A.

    2008-01-21

    The interfacial adhesion strength between the oxide scale and the substrate is crucial to the reliability and durability of metallic interconnects in SOFC operating environments. It is necessary, therefore, to establish a methodology to quantify the interfacial adhesion strength between the oxide scale and the metallic interconnect substrate, and furthermore to design and optimize the interconnect material as well as the coating materials to meet the design life of an SOFC system. In this paper, we present an integrated experimental/analytical methodology for quantifying the interfacial adhesion strength between oxide scale and a ferritic stainless steel interconnect. Stair-stepping indentation tests are used in conjunction with subsequent finite element analyses to predict the interfacial strength between the oxide scale and Crofer 22 APU substrate.

  15. Oxidation/Reduction Reactions at the Metal Contact-TlBr Interface: An X-ray

    Office of Scientific and Technical Information (OSTI)

    Photoelectron Spectroscopy Study (Conference) | SciTech Connect Conference: Oxidation/Reduction Reactions at the Metal Contact-TlBr Interface: An X-ray Photoelectron Spectroscopy Study Citation Details In-Document Search Title: Oxidation/Reduction Reactions at the Metal Contact-TlBr Interface: An X-ray Photoelectron Spectroscopy Study Authors: Nelson, A J ; Swanberg, E L ; Voss, L F ; Graff, R T ; Conway, A M ; Nikolic, R J ; Payne, S A ; Kim, H ; Cirignano, L ; Shah, K Publication Date:

  16. Periodic Trends in Highly Dispersed Groups IV and V Supported Metal Oxide

    Office of Scientific and Technical Information (OSTI)

    Catalysts for Alkene Epoxidation with H[subscript 2]O[subscript 2] (Journal Article) | SciTech Connect Periodic Trends in Highly Dispersed Groups IV and V Supported Metal Oxide Catalysts for Alkene Epoxidation with H[subscript 2]O[subscript 2] Citation Details In-Document Search Title: Periodic Trends in Highly Dispersed Groups IV and V Supported Metal Oxide Catalysts for Alkene Epoxidation with H[subscript 2]O[subscript 2] Authors: Thornburg, Nicholas E. ; Thompson, Anthony B. ; Notestein,

  17. Low temperature formation of electrode having electrically conductive metal oxide surface

    DOE Patents [OSTI]

    Anders, Simone (Albany, CA); Anders, Andre (Albany, CA); Brown, Ian G. (Berkeley, CA); McLarnon, Frank R. (Orinda, CA); Kong, Fanping (Berkeley, CA)

    1998-01-01

    A low temperature process is disclosed for forming metal suboxides on substrates by cathodic arc deposition by either controlling the pressure of the oxygen present in the deposition chamber, or by controlling the density of the metal flux, or by a combination of such adjustments, to thereby control the ratio of oxide to metal in the deposited metal suboxide coating. The density of the metal flux may, in turn, be adjusted by controlling the discharge current of the arc, by adjusting the pulse length (duration of on cycle) of the arc, and by adjusting the frequency of the arc, or any combination of these parameters. In a preferred embodiment, a low temperature process is disclosed for forming an electrically conductive metal suboxide, such as, for example, an electrically conductive suboxide of titanium, on an electrode surface, such as the surface of a nickel oxide electrode, by such cathodic arc deposition and control of the deposition parameters. In the preferred embodiment, the process results in a titanium suboxide-coated nickel oxide electrode exhibiting reduced parasitic evolution of oxygen during charging of a cell made using such an electrode as the positive electrode, as well as exhibiting high oxygen overpotential, resulting in suppression of oxygen evolution at the electrode at full charge of the cell.

  18. Spinel-structured metal oxide on a substrate and method of making same by molecular beam epitaxy

    DOE Patents [OSTI]

    Chambers, Scott A.

    2006-02-21

    A method of making a spinel-structured metal oxide on a substrate by molecular beam epitaxy, comprising the step of supplying activated oxygen, a first metal atom flux, and at least one other metal atom flux to the surface of the substrate, wherein the metal atom fluxes are individually controlled at the substrate so as to grow the spinel-structured metal oxide on the substrate and the metal oxide is substantially in a thermodynamically stable state during the growth of the metal oxide. A particular embodiment of the present invention encompasses a method of making a spinel-structured binary ferrite, including Co ferrite, without the need of a post-growth anneal to obtain the desired equilibrium state.

  19. Inorganic Metal Oxide/Organic Polymer Nanocomposites And Method Thereof

    DOE Patents [OSTI]

    Gash, Alexander E.; Satcher, Joe H.; Simpson, Randy

    2004-11-16

    A synthetic method for preparation of hybrid inorganic/organic energetic nanocomposites is disclosed herein. The method employs the use of stable metal in organic salts and organic solvents as well as an organic polymer with good solubility in the solvent system to produce novel nanocomposite energetic materials. In addition, fuel metal powders (particularly those that are oxophilic) can be incorporated into composition. This material has been characterized by thermal methods, energy-filtered transmission electron microscopy (EFTEM), N.sub.2 adsoprtion/desorption methods, and Fourier-Transform (FT-IR) spectroscopy. According to these characterization methods the organic polymer phase fills the nanopores of the material, providing superb mixing of the component phases in the energetic nanocomposite.

  20. Inorganic metal oxide/organic polymer nanocomposites and method thereof

    DOE Patents [OSTI]

    Gash, Alexander E.; Satcher, Joe H.; Simpson, Randy

    2004-03-30

    A synthetic method for preparation of hybrid inorganic/organic energetic nanocomposites is disclosed herein. The method employs the use of stable metal inorganic salts and organic solvents as well as an organic polymer with good solubility in the solvent system to produce novel nanocomposite energetic materials. In addition, fuel metal powders (particularly those that are oxophillic) can be incorporated into composition. This material has been characterized by thermal methods, energy-filtered transmission electron microscopy (EFTEM), N.sub.2 adsoprtion/desorption methods, and Fourier-Transform (FT-IR) spectroscopy. According to these characterization methods the organic polymer phase fills the nanopores of the composite material, providing superb mixing of the component phases in the energetic nanocomposite.

  1. Method for producing chemical energy

    DOE Patents [OSTI]

    Jorgensen, Betty S.; Danen, Wayne C.

    2004-09-21

    Fluoroalkylsilane-coated metal particles having a central metal core, a buffer layer surrounding the core, and a fluoroalkylsilane layer attached to the buffer layer are prepared by combining a chemically reactive fluoroalkylsilane compound with an oxide coated metal particle having a hydroxylated surface. The resulting fluoroalkylsilane layer that coats the particles provides them with excellent resistance to aging. The particles can be blended with oxidant particles to form energetic powder that releases chemical energy when the buffer layer is physically disrupted so that the reductant metal core can react with the oxidant.

  2. Process for making surfactant capped metal oxide nanocrystals, and products produced by the process

    DOE Patents [OSTI]

    Alivisatos, A. Paul; Rockenberger, Joerg

    2006-01-10

    Disclosed is a process for making surfactant capped nanocrystals of metal oxides which are dispersable in organic solvents. The process comprises decomposing a metal cupferron complex of the formula MXCupX, wherein M is a metal, and Cup is a N-substituted N-Nitroso hydroxylamine, in the presence of a coordinating surfactant, the reaction being conducted at a temperature ranging from about 150 to about 400.degree. C., for a period of time sufficient to complete the reaction. Also disclosed are compounds made by the process.

  3. Method of making metal oxide ceramic powders by using a combustible amino acid compound

    DOE Patents [OSTI]

    Pederson, L.R.; Chick, L.A.; Exarhos, G.J.

    1992-05-19

    This invention is directed to the formation of homogeneous, aqueous precursor mixtures of at least one substantially soluble metal salt and a substantially soluble, combustible co-reactant compound, typically an amino acid. This produces, upon evaporation, a substantially homogeneous intermediate material having a total solids level which would support combustion. The homogeneous intermediate material essentially comprises highly dispersed or solvated metal constituents and the co-reactant compound. The intermediate material is quite flammable. A metal oxide powder results on ignition of the intermediate product which combusts same to produce the product powder.

  4. Method of making metal oxide ceramic powders by using a combustible amino acid compound

    DOE Patents [OSTI]

    Pederson, Larry R. (Kennewick, WA); Chick, Lawrence A. (Richland, WA); Exarhos, Gregory J. (Richland, WA)

    1992-01-01

    This invention is directed to the formation of homogeneous, aqueous precursor mixtures of at least one substantially soluble metal salt and a substantially soluble, combustible co-reactant compound, typically an amino acid. This produces, upon evaporation, a substantially homogeneous intermediate material having a total solids level which would support combustion. The homogeneous intermediate material essentially comprises highly dispersed or solvated metal constituents and the co-reactant compound. The intermediate material is quite flammable. A metal oxide powder results on ignition of the intermediate product which combusts same to produce the product powder.

  5. Non-uniform solute segregation at semi-coherent metal/oxide interfaces

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

    Choudhury, Samrat; Aguiar, Jeffery A.; Fluss, Michael J.; Hsiung, Luke L.; Misra, Amit; Uberuaga, Blas P.

    2015-08-26

    The properties and performance of metal/oxide nanocomposites are governed by the structure and chemistry of the metal/oxide interfaces. Here we report an integrated theoretical and experimental study examining the role of interfacial structure, particularly misfit dislocations, on solute segregation at a metal/oxide interface. We find that the local oxygen environment, which varies significantly between the misfit dislocations and the coherent terraces, dictates the segregation tendency of solutes to the interface. Depending on the nature of the solute and local oxygen content, segregation to misfit dislocations can change from attraction to repulsion, revealing the complex interplay between chemistry and structure atmore » metal/oxide interfaces. These findings indicate that the solute chemistry at misfit dislocations is controlled by the dislocation density and oxygen content. As a result, fundamental thermodynamic concepts – the Hume-Rothery rules and the Ellingham diagram – qualitatively predict the segregation behavior of solutes to such interfaces, providing design rules for novel interfacial chemistries.« less

  6. Electrochromic nickel oxide simultaneously doped with lithium and a metal dopant

    DOE Patents [OSTI]

    Gillaspie, Dane T; Weir, Douglas G

    2014-04-01

    An electrochromic device comprising a counter electrode layer comprised of lithium metal oxide which provides a high transmission in the fully intercalated state and which is capable of long-term stability, is disclosed. Methods of making an electrochromic device comprising such a counter electrode are also disclosed.

  7. Rare earth zirconium oxide buffer layers on metal substrates

    DOE Patents [OSTI]

    Williams, Robert K.; Paranthaman, Mariappan; Chirayil, Thomas G.; Lee, Dominic F.; Goyal, Amit; Feenstra, Roeland

    2001-01-01

    A laminate article comprises a substrate and a biaxially textured (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer over the substrate, wherein 0metal-organic decomposition. The laminate article can include a layer of YBCO over the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer. A layer of CeO.sub.2 between the YBCO layer and the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer can also be include. Further included can be a layer of YSZ between the CeO.sub.2 layer and the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer. The substrate can be a biaxially textured metal, such as nickel. A method of forming the laminate article is also disclosed.

  8. Investigation of some new hydro(solvo)thermal synthesis routes to nanostructured mixed-metal oxides

    SciTech Connect (OSTI)

    Burnett, David L.; Harunsani, Mohammad H.; Kashtiban, Reza J.; Playford, Helen Y.; Sloan, Jeremy; Hannon, Alex C.; Walton, Richard I.

    2014-06-01

    We present a study of two new solvothermal synthesis approaches to mixed-metal oxide materials and structural characterisation of the products formed. The solvothermal oxidation of metallic gallium by a diethanolamine solution of iron(II) chloride at 240 °C produces a crystalline sample of a spinel-structured material, made up of nano-scale particles typically 20 nm in dimension. XANES spectroscopy at the K-edge shows that the material contains predominantly Fe{sup 2+} in an octahedral environment, but that a small amount of Fe{sup 3+} is also present. Careful analysis using transmission electron microscopy and powder neutron diffraction shows that the sample is actually a mixture of two spinel materials: predominantly (>97%) an Fe{sup 2+} phase Ga{sub 1.8}Fe{sub 1.2}O{sub 3.9}, but with a minor impurity phase that is iron-rich. In contrast, the hydrothermal reaction of titanium bis(ammonium lactato)dihydroxide in water with increasing amounts of Sn(IV) acetate allows nanocrystalline samples of the SnO{sub 2}–TiO{sub 2} solid solution to be prepared directly, as proved by powder XRD and Raman spectroscopy. - Graphical abstract: New solvothermal synthesis approaches to spinel and rutile mixed-metal oxides are reported. - Highlights: • Solvothermal oxidation of gallium metal in organic iron(II) solution gives a novel iron gallate spinel. • Hydrothermal reaction of titanium(IV) complex and tin(IV) acetate produces the complete SnO{sub 2}–TiO{sub 2} solid solution. • Nanostructured mixed-metal oxide phases are produced directly from solution.

  9. Correlation of Chemical and Mechanical Property Changes During Oxidative Degradation of Neoprene

    SciTech Connect (OSTI)

    Celina, M.; Wise, J.; Ottesen, D.K.; Gillen, K.T.; Clough, R.L.

    1999-07-01

    The thermal degradation of a commercial, stabilized, unfilled neoprene (chloroprene) rubber was investigated at temperatures up to 140 C. The degradation of this material is dominated by oxidation rather than dehydrochlorination. Important heterogeneous oxidation effects were observed at the various temperatures investigated using infrared micro-spectroscopy and modulus profiling. Intensive degradation-related spectral changes in the IR occurred in the conjugated carbonyl and hydroxyl regions. Quantitative analysis revealed some differences in the development of the IR oxidation profiles, particularly towards the sample surface. These chemical degradation profiles were compared with modulus profiles (mechanical properties). It is concluded that the profile development is fundamentally described by a diffusion-limited autoxidation mechanism. Oxygen consumption measurements showed that the oxidation rates display non-Arrhenius behavior (curvature) at low temperatures. The current results, when compared to those of a previously studied, clay-filled commercial neoprene formulation, indicate that the clay filler acts as an antioxidant, but only at low temperatures.

  10. Method of CO and/or CO.sub.2 hydrogenation using doped mixed-metal oxides

    DOE Patents [OSTI]

    Shekhawat, Dushyant; Berry, David A.; Haynes, Daniel J.; Abdelsayed, Victor; Smith, Mark W.; Spivey, James J.

    2015-10-06

    A method of hydrogenation utilizing a reactant gas mixture comprising a carbon oxide and a hydrogen agent, and a hydrogenation catalyst comprising a mixed-metal oxide containing metal sites supported and/or incorporated into the lattice. The mixed-metal oxide comprises a perovskite, a pyrochlore, a fluorite, a brownmillerite, or mixtures thereof doped at the A-site or the B-site. The metal site may comprise a deposited metal, where the deposited metal is a transition metal, an alkali metal, an alkaline earth metal, or mixtures thereof. Contact between the carbon oxide, hydrogen agent, and hydrogenation catalyst under appropriate conditions of temperature, pressure and gas flow rate generate a hydrogenation reaction and produce a hydrogenated product made up of carbon from the carbon oxide and some portion of the hydrogen agent. The carbon oxide may be CO, CO.sub.2, or mixtures thereof and the hydrogen agent may be H.sub.2. In a particular embodiment, the hydrogenated product comprises an alcohol, an olefin, an aldehyde, a ketone, an ester, an oxo-product, or mixtures thereof.

  11. Synthesis of high {Tc} superconducting coatings and patterns by melt writing and oxidation of metallic precursor alloys

    DOE Patents [OSTI]

    Gao, W.; Vander Sande, J.B.

    1998-07-28

    A method is provided for fabrication of superconducting oxides and superconducting oxide composites and for joining superconductors to other materials. A coating of a molten alloy containing the metallic elements of the oxide is applied to a substrate surface and oxidized to form the superconducting oxide. A material can be contacted to the molten alloy which is subsequently oxidized joining the material to the resulting superconducting oxide coating. Substrates of varied composition and shape can be coated or joined by this method. 5 figs.

  12. Method for removing heavy metal and nitrogen oxides from flue gas, device for removing heavy metal and nitrogen oxides from flue gas

    SciTech Connect (OSTI)

    Huang, Hann-Sheng; Livengood, Charles David

    1997-12-01

    A method for the simultaneous removal of oxides and heavy metals from a fluid is provided comprising combining the fluid with compounds containing alkali and sulfur to create a mixture; spray drying the mixture to create a vapor phase and a solid phase; and isolating the vapor phase from the solid phase. A device is also provided comprising a means for spray-drying flue gas with alkali-sulfide containing liquor at a temperature sufficient to cause the flue gas to react with the compounds so as to create a gaseous fraction and a solid fraction and a means for directing the gaseous fraction to a fabric filter.

  13. Iron oxidation kinetics for H-2 and CO production via chemical looping

    SciTech Connect (OSTI)

    Stehle, RC; Bobek, MM; Hahn, DW

    2015-01-30

    Solar driven production of fuels by means of an intermediate reactive metal for species splitting has provided a practical and potentially efficient pathway for disassociating molecules at significantly lower thermal energies. The fuels of interest are of or derive from the separation of oxygen from H2O and CO2 to form hydrogen and carbon monoxide, respectively. The following study focuses on iron oxidation through water and CO2 splitting to explore the fundamental reaction kinetics and kinetic rates that are relevant to these processes. In order to properly characterize the reactive metal potential and to optimize a scaled-up solar reactor system, a monolith-based laboratory reactor was implemented to investigate reaction temperatures over a range from 990 to 1400 K. The presence of a single, solid monolith as a reacting surface allowed for a limitation in mass transport effects in order to monitor kinetically driven reaction steps. The formation of oxide layers on the iron monoliths followed Cabrera-Mott models for oxidation of metals with kinetic rates being measured using real-time mass spectrometry to calculate kinetic constants and estimate oxide layer thicknesses. Activation energies of 47.3 kJ/mol and 32.8 kJ/mol were found for water-splitting and CO2 splitting, respectively, and the conclusions of the independent oxidation reactions where applied to experimental results for syngas (H-2-CO) production to explore ideal process characteristics. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

  14. Metal oxide coating of carbon supports for supercapacitor applications.

    SciTech Connect (OSTI)

    Boyle, Timothy J.; Tribby, Louis, J; Lakeman, Charles D. E.; Han, Sang M.; Lambert, Timothy N.; Fleig, Patrick F.

    2008-07-01

    The global market for wireless sensor networks in 2010 will be valued close to $10 B, or 200 M units. TPL, Inc. is a small Albuquerque based business that has positioned itself to be a leader in providing uninterruptible power supplies in this growing market with projected revenues expected to exceed $26 M in 5 years. This project focused on improving TPL, Inc.'s patent-pending EnerPak{trademark} device which converts small amounts of energy from the environment (e.g., vibrations, light or temperature differences) into electrical energy that can be used to charge small energy storage devices. A critical component of the EnerPak{trademark} is the supercapacitor that handles high power delivery for wireless communications; however, optimization and miniaturization of this critical component is required. This proposal aimed to produce prototype microsupercapacitors through the integration of novel materials and fabrication processes developed at New Mexico Technology Research Collaborative (NMTRC) member institutions. In particular, we focused on developing novel ruthenium oxide nanomaterials and placed them into carbon supports to significantly increase the energy density of the supercapacitor. These improvements were expected to reduce maintenance costs and expand the utility of the TPL, Inc.'s device, enabling New Mexico to become the leader in the growing global wireless power supply market. By dominating this niche, new customers were expected to be attracted to TPL, Inc. yielding new technical opportunities and increased job opportunities for New Mexico.

  15. The effect of in-situ noble metal chemical addition on crack growth rate behavior of structural materials in 288 C water

    SciTech Connect (OSTI)

    Andresen, P.L.; Angeliu, T.

    1996-10-01

    Stress corrosion cracking (SCC), especially in existing boiling water reactor (BVM) components, is most effectively accomplished by reducing the corrosion potential. This was successfully demonstrated by adding hydrogen to BNM water, which reduced oxidant concentration and corrosion potential by recombining with the radiolytically formed oxygen and hydrogen peroxide. However, reduction in the corrosion potential for some vessel internals is difficult, and others require high hydrogen addition rates, which results in an increase in the main steam radiation level from volatile N{sup 16}. Noble metal electrocatalysis provides a unique opportunity to efficiently achieve a dramatic reduction in corrosion potential and SCC in BWRs, by catalytically reacting all oxidants that diffuse to a (catalytic) metal surface with hydrogen. There are many techniques for creating catalytic surfaces, including alloying with noble metals or applying noble metal alloy powders to existing BWR components by thermal spraying or weld cladding. A novel system-wide approach for producing catalytic surfaces on all wetted components has been developed which employs the reactor coolant water as the medium of transport. This approach is termed in-situ noble metal chemical addition (NMCA), and has been successfully used in extensive laboratory tests to coat a wide range of pre-oxidized structural materials. In turn, these specimens have maintained catalytic response in long term, cyclic exposures to extremes in dissolved gases, impurity levels, pH, flow rate, temperature, straining, etc. With stoichiometric excess H{sub 2}, the corrosion potential drops dramatically and crack initiation and growth are greatly reduced, even at high O{sub 2} or H{sub 2}O{sub 2} levels. Without excess H{sub 2} (i.e., in normal BWR water chemistry), noble metals do not increase the corrosion potential or SCC.

  16. Secondary cell with orthorhombic alkali metal/manganese oxide phase active cathode material

    DOE Patents [OSTI]

    Doeff, M.M.; Peng, M.Y.; Ma, Y.; Visco, S.J.; DeJonghe, L.C.

    1996-09-24

    An alkali metal manganese oxide secondary cell is disclosed which can provide a high rate of discharge, good cycling capabilities, good stability of the cathode material, high specific energy (energy per unit of weight) and high energy density (energy per unit volume). The active material in the anode is an alkali metal and the active material in the cathode comprises an orthorhombic alkali metal manganese oxide which undergoes intercalation and deintercalation without a change in phase, resulting in a substantially linear change in voltage with change in the state of charge of the cell. The active material in the cathode is an orthorhombic structure having the formula M{sub x}Z{sub y}Mn{sub (1{minus}y)}O{sub 2}, where M is an alkali metal; Z is a metal capable of substituting for manganese in the orthorhombic structure such as iron, cobalt or titanium; x ranges from about 0.2 in the fully charged state to about 0.75 in the fully discharged state, and y ranges from 0 to 60 atomic %. Preferably, the cell is constructed with a solid electrolyte, but a liquid or gelatinous electrolyte may also be used in the cell. 11 figs.

  17. Secondary cell with orthorhombic alkali metal/manganese oxide phase active cathode material

    DOE Patents [OSTI]

    Doeff, Marca M.; Peng, Marcus Y.; Ma, Yanping; Visco, Steven J.; DeJonghe, Lutgard C.

    1996-01-01

    An alkali metal manganese oxide secondary cell is disclosed which can provide a high rate of discharge, good cycling capabilities, good stability of the cathode material, high specific energy (energy per unit of weight) and high energy density (energy per unit volume). The active material in the anode is an alkali metal and the active material in the cathode comprises an orthorhombic alkali metal manganese oxide which undergoes intercalation and deintercalation without a change in phase, resulting in a substantially linear change in voltage with change in the state of charge of the cell. The active material in the cathode is an orthorhombic structure having the formula M.sub.x Z.sub.y Mn.sub.(1-y) O.sub.2, where M is an alkali metal; Z is a metal capable of substituting for manganese in the orthorhombic structure such as iron, cobalt or titanium; x ranges from about 0.2 in the fully charged state to about 0.75 in the fully discharged state, and y ranges from 0 to 60 atomic %. Preferably, the cell is constructed with a solid electrolyte, but a liquid or gelatinous electrolyte may also be used in the cell.

  18. High quality HfO{sub 2}/p-GaSb(001) metal-oxide-semiconductor capacitors with 0.8?nm equivalent oxide thickness

    SciTech Connect (OSTI)

    Barth, Michael; Datta, Suman; Bruce Rayner, G.; McDonnell, Stephen; Wallace, Robert M.; Bennett, Brian R.; Engel-Herbert, Roman

    2014-12-01

    We investigate in-situ cleaning of GaSb surfaces and its effect on the electrical performance of p-type GaSb metal-oxide-semiconductor capacitor (MOSCAP) using a remote hydrogen plasma. Ultrathin HfO{sub 2} films grown by atomic layer deposition were used as a high permittivity gate dielectric. Compared to conventional ex-situ chemical cleaning methods, the in-situ GaSb surface treatment resulted in a drastic improvement in the impedance characteristics of the MOSCAPs, directly evidencing a much lower interface trap density and enhanced Fermi level movement efficiency. We demonstrate that by using a combination of ex-situ and in-situ surface cleaning steps, aggressively scaled HfO{sub 2}/p-GaSb MOSCAP structures with a low equivalent oxide thickness of 0.8?nm and efficient gate modulation of the surface potential are achieved, allowing to push the Fermi level far away from the valence band edge high up into the band gap of GaSb.

  19. Chemical changes in carbon Nanotube-Nickel/Nickel Oxide Core/Shell nanoparticle heterostructures treated at high temperatures

    SciTech Connect (OSTI)

    Chopra, Nitin; McWhinney, Hylton G.; Shi Wenwu

    2011-06-15

    Heterostructures composed of carbon nanotube (CNT) coated with Ni/NiO core/shell nanoparticles (denoted as CNC heterostructures) were synthesized in a wet-chemistry and single-step synthesis route involving direct nucleation of nanoparticles on CNT surface. Two different aspects of CNC heterostructures were studied here. First, it was observed that the nanoparticle coatings were more uniform on the as-produced and non-purified CNTs compared to purified (or acid treated) CNTs. These heterostructures were characterized using electron microscopy, Raman spectroscopy, and energy dispersive spectroscopy. Second, thermal stability of CNC heterostructures was studied by annealing them in N{sub 2}-rich (O{sub 2}-lean) environment between 125 and 750 deg. C for 1 h. A detailed X-ray photoelectron spectroscopy and Raman spectroscopy analysis was performed to evaluate the effects of annealing temperatures on chemical composition, phases, and stability of the heterostructures. It was observed that the CNTs present in the heterostructures completely decomposed and core Ni nanoparticle oxidized significantly between 600 and 750 deg. C. - Research Highlights: {yields} Heterostructures composed of CNTs coated with Ni/NiO core/shell nanoparticles. {yields} Poor nanoparticle coverage on purified CNT surface compared to non-purified CNTs. {yields} CNTs in heterostructures decompose between 600 and 750 deg. C in N{sub 2}-rich atmosphere. {yields} Metallic species in heterostructures were oxidized at higher temperatures.

  20. Inert anode containing oxides of nickel iron and cobalt useful for the electrolytic production of metals

    DOE Patents [OSTI]

    Ray, Siba P. (Murrysville, PA); Liu, Xinghua (Monroeville, PA); Weirauch, Jr., Douglas A. (Murrysville, PA)

    2002-01-01

    An inert anode for the electrolytic production of metals such as aluminum is disclosed. The inert anode includes a ceramic oxide material preferably made from NiO, Fe.sub.2 O.sub.3 and CoO. The inert anode composition may comprise the following mole fractions of NiO, Fe.sub.2 O.sub.3 and CoO: 0.15 to 0.99 NiO; 0.0001 to 0.85 Fe.sub.2 O.sub.3 ; and 0.0001 to 0.45 CoO. The inert anode may optionally include other oxides and/or at least one metal phase, such as Cu, Ag, Pd, Pt, Au, Rh, Ru, Ir and/or Os. The Ni--Fe--Co--O ceramic material exhibits very low solubility in Hall cell baths used to produce aluminum.

  1. Molecular receptors in metal oxide sol-gel materials prepared via molecular imprinting

    DOE Patents [OSTI]

    Sasaki, Darryl Y. (Albuquerque, NM); Brinker, C. Jeffrey (Albuquerque, NM); Ashley, Carol S. (Albuquerque, NM); Daitch, Charles E. (Charlottesville, VA); Shea, Kenneth J. (Irvine, CA); Rush, Daniel J. (Philadelphia, PA)

    2000-01-01

    A method is provided for molecularly imprinting the surface of a sol-gel material, by forming a solution comprised of a sol-gel material, a solvent, an imprinting molecule, and a functionalizing siloxane monomer of the form Si(OR).sub.3-n X.sub.n, wherein n is an integer between zero and three and X is a functional group capable of reacting with the imprinting molecule, evaporating the solvent, and removing the imprinting molecule to form the molecularly imprinted metal oxide sol-gel material. The use of metal oxide sol-gels allows the material porosity, pore size, density, surface area, hardness, electrostatic charge, polarity, optical density, and surface hydrophobicity to be tailored and be employed as sensors and in catalytic and separations operations.

  2. Tubular solid oxide fuel cells with porous metal supports and ceramic interconnections

    DOE Patents [OSTI]

    Huang, Kevin (Export, PA); Ruka, Roswell J. (Pittsburgh, PA)

    2012-05-08

    An intermediate temperature solid oxide fuel cell structure capable of operating at from 600.degree. C. to 800.degree. C. having a very thin porous hollow elongated metallic support tube having a thickness from 0.10 mm to 1.0 mm, preferably 0.10 mm to 0.35 mm, a porosity of from 25 vol. % to 50 vol. % and a tensile strength from 700 GPa to 900 GPa, which metallic tube supports a reduced thickness air electrode having a thickness from 0.010 mm to 0.2 mm, a solid oxide electrolyte, a cermet fuel electrode, a ceramic interconnection and an electrically conductive cell to cell contact layer.

  3. Inert anode containing oxides of nickel, iron and zinc useful for the electrolytic production of metals

    DOE Patents [OSTI]

    Ray, Siba P.; Weirauch, Jr., Douglas A.; Liu, Xinghua

    2002-01-01

    An inert anode for the electrolytic production of metals such as aluminum is disclosed. The inert anode includes a ceramic oxide material preferably made from NiO, Fe.sub.2 O.sub.3 and ZnO. The inert anode composition may comprise the following mole fractions of NiO, Fe.sub.2 O.sub.3 and ZnO: 0.2 to 0.99 NiO; 0.0001 to 0.8 Fe.sub.2 O.sub.3 ; and 0.0001 to 0.3 ZnO. The inert anode may optionally include other oxides and/or at least one metal phase, such as Cu, Ag, Pd, Pt, Au, Rh, Ru, Ir and/or Os. The Ni--Fe--Co--O ceramic material exhibits very low solubility in Hall cell baths used to produce aluminum.

  4. NANOSTRUCTURED METAL OXIDES FOR ANODES OF LI-ION RECHARGEABLE BATTERIES

    SciTech Connect (OSTI)

    Au, M.

    2009-12-04

    The aligned nanorods of Co{sub 3}O{sub 4} and nanoporous hollow spheres (NHS) of SnO{sub 2} and Mn{sub 2}O{sub 3} were investigated as the anodes for Li-ion rechargeable batteries. The Co{sub 3}O{sub 4} nanorods demonstrated 1433 mAh/g reversible capacity. The NHS of SnO{sub 2} and Mn{sub 2}O{sub 3} delivered 400 mAh/g and 250 mAh/g capacities respectively in multiple galvonastatic discharge-charge cycles. It was found that high capacity of NHS of metal oxides is sustainable attributed to their unique structure that maintains material integrity during cycling. The nanostructured metal oxides exhibit great potential as the new anode materials for Li-ion rechargeable batteries with high energy density, low cost and inherent safety.

  5. Oxidative dehydrogenation (ODH) of ethane with O[subscript 2] as oxidant on selected transition metal-loaded zeolites

    SciTech Connect (OSTI)

    Lin, Xufeng; Hoel, Cathleen A.; Sachtler, Wolfgang M.H.; Poeppelmeier, Kenneth R.; Weitz, Eric

    2009-09-14

    Ni-, Cu-, and Fe-loaded acidic and basic Y zeolites were synthesized, and their catalytic properties for oxidative dehydrogenation of ethane (ODHE) to ethylene were characterized. Acidic Ni-loaded Y zeolite exhibits an ethylene productivity of up to 108 g{sub C{sub 2}H{sub 4}}g{sub cat}{sup -1} h{sup -1} with a selectivity of {approx}75%. Acidic Cu- and Fe-loaded Y zeolites have an ethylene productivity of up to 0.37 g{sub C{sub 2}H{sub 4}}g{sub cat}{sup -1} h{sup -1} and a selectivity of {approx}50%. For the same metal, the acidity of the zeolite favors both ODHE productivity and ethylene selectivity. Extended X-ray absorption fine structure (EXAFS) studies show that Ni, present in particles on Ni/HY during the ODHE catalytic process, contains both Ni-Ni and Ni-O bonds, and that the ratio of oxidized Ni versus metallic Ni increases with the temperature. The insights these studies provide into the ODHE reaction mechanism are discussed.

  6. Method for continuously recovering metals using a dual zone chemical reactor

    DOE Patents [OSTI]

    Bronson, Mark C. (Livermore, CA)

    1995-01-01

    A dual zone chemical reactor continuously processes metal-containing materials while regenerating and circulating a liquid carrier. The starting materials are fed into a first reaction zone of a vessel containing a molten salt carrier. The starting materials react to form a metal product and a by-product that dissolves in the molten salt that flows to a second reaction zone in the reaction vessel. The second reaction zone is partitioned from, but in fluid communication with, the first reaction zone. The liquid carrier continuously circulates along a pathway between the first reaction zone and the second reaction zone. A reactive gas is introduced into the second reaction zone to react with the reaction by-product to generate the molten salt. The metal product, the gaseous waste products, and the excess liquid carrier are removed without interrupting the operation of the reactor. The design of the dual zone reactor can be adapted to combine a plurality of liquid carrier regeneration zones in a multiple dual zone chemical reactor for production scale processing.

  7. Method for continuously recovering metals using a dual zone chemical reactor

    DOE Patents [OSTI]

    Bronson, M.C.

    1995-02-14

    A dual zone chemical reactor continuously processes metal-containing materials while regenerating and circulating a liquid carrier. The starting materials are fed into a first reaction zone of a vessel containing a molten salt carrier. The starting materials react to form a metal product and a by-product that dissolves in the molten salt that flows to a second reaction zone in the reaction vessel. The second reaction zone is partitioned from, but in fluid communication with, the first reaction zone. The liquid carrier continuously circulates along a pathway between the first reaction zone and the second reaction zone. A reactive gas is introduced into the second reaction zone to react with the reaction by-product to generate the molten salt. The metal product, the gaseous waste products, and the excess liquid carrier are removed without interrupting the operation of the reactor. The design of the dual zone reactor can be adapted to combine a plurality of liquid carrier regeneration zones in a multiple dual zone chemical reactor for production scale processing. 6 figs.

  8. Temperature threshold for nanorod structuring of metal and oxide films grown by glancing angle deposition

    SciTech Connect (OSTI)

    Deniz, Derya; Lad, Robert J.

    2011-01-15

    Thin films of tin (Sn), aluminum (Al), gold (Au), ruthenium (Ru), tungsten (W), ruthenium dioxide (RuO{sub 2}), tin dioxide (SnO{sub 2}), and tungsten trioxide (WO{sub 3}) were grown by glancing angle deposition (GLAD) to determine the nanostructuring temperature threshold, {Theta}{sub T}, above which adatom surface diffusion becomes large enough such that nanorod morphology is no longer formed during growth. The threshold was found to be lower in metals compared to oxides. Films were grown using both dc and pulsed dc magnetron sputtering with continuous substrate rotation over the temperature range from 291 to 866 K. Film morphologies, structures, and compositions were characterized by high resolution scanning electron microscopy, x-ray diffraction, and x-ray photoelectron spectroscopy. Films were also grown in a conventional configuration for comparison. For elemental metals, nanorod structuring occurs for films with melting points higher than that of Al (933 K) when grown at room temperature with a rotation rate of {approx}5 rpm, corresponding to a value of {Theta}{sub T}{approx_equal}0.33{+-}0.01. For the oxide films, a value of {Theta}{sub T}{approx_equal}0.5 was found, above which GLAD nanorod structuring does not occur. The existence of a nanostructuring temperature threshold in both metal and oxide GLAD films can be attributed to greater adatom mobilities as temperature is increased resulting in nonkinetically limited film nucleation and growth processes.

  9. Oxidation Resistant, Cr Retaining, Electrically Conductive Coatings on Metallic Alloys for SOFC Interconnects

    SciTech Connect (OSTI)

    Vladimir Gorokhovsky

    2008-03-31

    This report describes significant results from an on-going, collaborative effort to enable the use of inexpensive metallic alloys as interconnects in planar solid oxide fuel cells (SOFCs) through the use of advanced coating technologies. Arcomac Surface Engineering, LLC, under the leadership of Dr. Vladimir Gorokhovsky, is investigating filtered-arc and filtered-arc plasma-assisted hybrid coating deposition technologies to promote oxidation resistance, eliminate Cr volatility, and stabilize the electrical conductivity of both standard and specialty steel alloys of interest for SOFC metallic interconnect (IC) applications. Arcomac has successfully developed technologies and processes to deposit coatings with excellent adhesion, which have demonstrated a substantial increase in high temperature oxidation resistance, stabilization of low Area Specific Resistance values and significantly decrease Cr volatility. An extensive matrix of deposition processes, coating compositions and architectures was evaluated. Technical performance of coated and uncoated sample coupons during exposures to SOFC interconnect-relevant conditions is discussed, and promising future directions are considered. Cost analyses have been prepared based on assessment of plasma processing parameters, which demonstrate the feasibility of the proposed surface engineering process for SOFC metallic IC applications.

  10. Resistive switching in a few nanometers thick tantalum oxide film formed by a metal oxidation

    SciTech Connect (OSTI)

    Ohno, Takeo; Samukawa, Seiji

    2015-04-27

    Resistive switching in a Cu/Ta{sub 2}O{sub 5}/Pt structure that consisted of a few nanometer-thick Ta{sub 2}O{sub 5} film was demonstrated. The Ta{sub 2}O{sub 5} film with thicknesses of 25?nm was formed with a combination of Ta metal film deposition and neutral oxygen particle irradiation at room temperature. The device exhibited a bipolar resistive switching with a threshold voltage of 0.2?V and multilevel switching operation.

  11. Solubility and Surface Adsorption Characteristics of Metal Oxides to High Temperature

    SciTech Connect (OSTI)

    D.J. Wesolowski; M.L. Machesky; S.E. Ziemniak; C. Xiao; D.A. Palmer; L.M. Anovitz; P. Benezeth

    2001-05-04

    The interaction of high temperature aqueous solutions with mineral surfaces plays a key role in many aspects of fossil, geothermal and nuclear energy production. This is an area of study in which the subsurface geochemical processes that determine brine composition, porosity and permeability changes, reservoir integrity, and fluid flow rates overlap with the industrial processes associated with corrosion of metal parts and deposition of solids in pipes and on heat exchanger surfaces. The sorption of ions on mineral surfaces is also of great interest in both the subsurface and ''above ground'' regimes of power production, playing a key role in subsurface migration of contaminants (nuclear waste disposal, geothermal brine re-injection, etc.) and in plant operations (corrosion mitigation, migration of radioactive metals from reactor core to heat exchanger, etc.). In this paper, results of the solubility and surface chemistry of metal oxides relevant to both regimes are summarized.

  12. Final Technical Report - High-Performance, Oxide-Dispersion-Strengthened Tubes for Production of Ethylene adn Other Industrial Chemicals

    SciTech Connect (OSTI)

    McKimpson, Marvin G.

    2006-04-06

    This project was undertaken by Michigan Technological University and Special Metals Corporation to develop creep-resistant, coking-resistant oxide-dispersion-strengthened (ODS) tubes for use in industrial-scale ethylene pyrolysis and steam methane reforming operations. Ethylene pyrolysis tubes are exposed to some of the most severe service conditions for metallic materials found anywhere in the chemical process industries, including elevated temperatures, oxidizing atmospheres and high carbon potentials. During service, hard deposits of carbon (coke) build up on the inner wall of the tube, reducing heat transfer and restricting the flow of the hydrocarbon feedstocks. About every 20 to 60 days, the reactor must be taken off-line and decoked by burning out the accumulated carbon. This decoking costs on the order of $9 million per year per ethylene plant, accelerates tube degradation, and requires that tubes be replaced about every 5 years. The technology developed under this program seeks to reduce the energy and economic cost of coking by creating novel bimetallic tubes offering a combination of improved coking resistance, creep resistance and fabricability not available in current single-alloy tubes. The inner core of this tube consists of Incoloy(R) MA956, a commercial ferritic Fe-Cr-Al alloy offering a 50% reduction in coke buildup combined with improved carburization resistance. The outer sheath consists of a new material - oxide dispersion strengthened (ODS) Alloy 803(R) developed under the program. This new alloy retains the good fireside environmental resistance of Alloy 803, a commercial wrought alloy currently used for ethylene production, and provides an austenitic casing to alleviate the inherently-limited fabricability of the ferritic Incoloy(R) MA956 core. To provide mechanical compatibility between the two alloys and maximize creep resistance of the bimetallic tube, both the inner Incoloy(R) MA956 and the outer ODS Alloy 803 are oxide dispersion strengthened materials produced using mechanical alloying technology. To minimize cost, the bimetallic tube is produced by direct powder co-extrusion. This technology has potential for domestic energy savings of up to 4.1 trillion BTU/year (4.3 x 1015J/year) and a reduction of 370,000 tons (340,000 tonnes) of CO2 emissions in short-residence-time ethylene furnaces. This represents an energy savings and CO2 emissions reduction of about 3.3%. If the technology is also applied to other types of ethylene pyrolysis furnaces, total energy savings and CO2 emissions reductions could increase by up to five times. The work involved: Developing powder and consolidation processing protocols to produce an oxide-dispersion strengthened variant of Alloy 803 exhibiting creep strength comparable to Incoloy? Alloy MA956, Developing a direct powder co-extrusion protocol for fabricating co-extruded bimetallic Incoloy? Alloy MA956 / ODS Alloy 803 tubes, Characterizing the properties of the ODS Alloy 803 material, the welding characteristics of the bimetallic tubes, and the coking characteristics of the Incoloy? MA956 alloy, and Documenting the potential energy savings and user requirements for these bimetallic pyrolysis furnace tubes. The project demonstrated that oxide dispersion strengthened Alloy 803 can be produced successfully using conventional mechanical alloying technology. The oxide dispersion strengthened bimetallic radiant coil technology explored under this program has significant potential for energy savings and productivity improvements for domestic ethylene producers. In today's competitive market, however, domestic furnace manufacturers and ethylene producers appear reluctant to pay any cost premium for higher-performance coil materials offering either higher temperature capabilities or longer service life. Interest in oxide dispersion strengthened radiant coils is likely to increase if furnace and ethylene producers begin to focus more on increasing tube wall temperatures to improve productivity.

  13. Evaluation of the thermodynamic properties of hydrated metal oxide nanoparticles by INS techniques

    SciTech Connect (OSTI)

    Spencer, Elinor; Ross, Dr. Nancy; Parker, Stewart F.; Kolesnikov, Alexander I

    2013-01-01

    In this contribution we will present a detailed methodology for the elucidation of the following aspects of the thermodynamic properties of hydrated metal oxide nanoparticles from high-resolution, low-temperature inelastic neutron scattering (INS) data: (i) the isochoric heat capacity and entropy of the hydration layers both chemi- and physisorbed to the particle surface; (ii) the magnetic contribution to the heat capacity of the nanoparticles. This will include the calculation of the vibrational density of states (VDOS) from the raw INS spectra, and the subsequent extraction of the thermodynamic data from the VDOS. This technique will be described in terms of a worked example namely, cobalt oxide (Co3O4 and CoO). To complement this evaluation of the physical properties of metal oxide nanoparticle systems, we will emphasise the importance of high-resolution, high-energy INS for the determination of the structure and dynamics of the water species, namely molecular (H2O) and dissociated water (OH, hydroxyl), confined to the oxide surfaces. For this component of the chapter we will focus on INS investigations of hydrated isostructural rutile (a-TiO2) and cassiterite (SnO2) nanoparticles. We will complete this discussion of nanoparticle analysis by including an appraisal of the INS instrumentation employed in such studies with particular focus on TOSCA [ISIS, Rutherford Appleton Laboratory (RAL), U.K.] and the newly developed spectrometer SEQUOIA [SNS, Oak Ridge National Laboratory (ORNL), U.S.A].

  14. Strategies to Suppress Cation Vacancies in Metal Oxide Alloys: Consequences for Solar Energy Conversion

    SciTech Connect (OSTI)

    Toroker, Maytal; Carter, Emily A.

    2015-09-01

    First-row transition metal oxides (TMOs) are promising alternative materials for inexpensive and efficient solar energy conversion. However, their conversion efficiency can be deleteriously affected by material imperfections, such as atomic vacancies. In this work, we provide examples showing that in some iron-containing TMOs, iron cation vacancy formation can be suppressed via alloying. We calculate within density functional theory+U theory the iron vacancy formation energy in binary rock-salt oxide alloys that contain iron, manganese, nickel, zinc, and/or magnesium. We demonstrate that formation of iron vacancies is less favorable if we choose to alloy iron(II) oxide with metals that cannot readily accept vacancy-generated holes, e.g., magnesium, manganese, nickel, or zinc. Since there are less available sites for holes and the holes are forced to reside on iron cations, the driving force for iron vacancy formation decreases. These results are consistent with an experiment observing a sharp drop in cation vacancy concentration upon alloying iron(II) oxide with manganese.

  15. Protective coating on positive lithium-metal-oxide electrodes for lithium batteries

    DOE Patents [OSTI]

    Johnson, Christopher S.; Thackeray, Michael M.; Kahaian, Arthur J.

    2006-05-23

    A positive electrode for a non-aqueous lithium cell comprising a LiMn2-xMxO4 spinel structure in which M is one or more metal cations with an atomic number less than 52, such that the average oxidation state of the manganese ions is equal to or greater than 3.5, and in which 0.ltoreq.x.ltoreq.0.15, having one or more lithium spine oxide LiM'2O4 or lithiated spinel oxide Li1+yM'2O4 compounds on the surface thereof in which M' are cobalt cations and in which 0.ltoreq.y.ltoreq.1.

  16. Life cycle cost study for coated conductor manufacture by metal organic chemical vapor deposition

    SciTech Connect (OSTI)

    Chapman, J.N.

    1999-07-13

    The purpose of this report is to calculate the cost of producing high temperature superconducting wire by the Metal Organic Chemical Vapor Deposition (MOCVD) process. The technology status is reviewed from the literature and a plant conceptual design is assumed for the cost calculation. The critical issues discussed are the high cost of the metal organic precursors, the material utilization efficiency and the capability of the final product as measured by the critical current density achieved. Capital, operating and material costs are estimated and summed as the basis for calculating the cost per unit length of wire. Sensitivity analyses of key assumptions are examined to determine their effects on the final wire cost. Additionally, the cost of wire on the basis of cost per kiloampere per meter is calculated for operation at lower temperatures than the liquid nitrogen boiling temperature. It is concluded that this process should not be ruled out on the basis of high cost of precursors alone.

  17. Method of synthesizing a plurality of reactants and producing thin films of electro-optically active transition metal oxides

    DOE Patents [OSTI]

    Tracy, C.E.; Benson, D.K.; Ruth, M.R.

    1985-08-16

    A method of synthesizing a plurality of reactants by inducing a reaction by plasma deposition among the reactants. The plasma reaction is effective for consolidating the reactants and producing thin films of electro-optically active transition metal oxides.

  18. Synthesis and structural, magnetic, thermal, and transport properties of several transition metal oxides and aresnides

    SciTech Connect (OSTI)

    Das, Supriyo

    2010-05-16

    Oxide compounds containing the transition metal vanadium (V) have attracted a lot of attention in the field of condensed matter physics owing to their exhibition of interesting properties including metal-insulator transitons, structural transitions, ferromagnetic and antiferromagnetic orderings, and heavy fermion behavior. Binary vanadium oxides V{sub n}O{sub 2n-1} where 2 {le} n {le} 9 have triclinic structures and exhibit metal-insulator and antiferromagnetic transitions. The only exception is V{sub 7}O{sub 13} which remains metallic down to 4 K. The ternary vanadium oxide LiV{sub 2}O{sub 4} has the normal spinel structure, is metallic, does not undergo magnetic ordering and exhibits heavy fermion behavior below 10 K. CaV{sub 2}O{sub 4} has an orthorhombic structure with the vanadium spins forming zigzag chains and has been suggested to be a model system to study the gapless chiral phase. These provide great motivation for further investigation of some known vanadium compounds as well as to explore new vanadium compounds in search of new physics. This thesis consists, in part, of experimental studies involving sample preparation and magnetic, transport, thermal, and x-ray measurements on some strongly correlated eletron systems containing the transition metal vanadium. The compounds studied are LiV{sub 2}O{sub 4}, YV{sub 4}O{sub 8}, and YbV{sub 4}O{sub 8}. The recent discovery of superconductivity in RFeAsO{sub 1-x}F{sub x} (R = La, Ce, Pr, Gd, Tb, Dy, Sm, and Nd), and AFe{sub 2}As{sub 2} (A = Ba, Sr, Ca, and Eu) doped with K, Na, or Cs at the A site with relatively high T{sub c} has sparked tremendous activities in the condensed matter physics community and a renewed interest in the area of superconductivity as occurred following the discovery of the layered cuprate high T{sub c} superconductors in 1986. To discover more superconductors with hopefully higher T{sub c}'s, it is extremely important to investigate compounds having crystal structures related to the compounds showing high T{sub c} superconductivity. Along with the vanadium oxide compounds described before, this thesis describes our investigations of magnetic, structural, thermal and transport properties of EuPd{sub 2}Sb{sub 2} single crystals which have a crystal structure closely related to the AFe{sub 2}As{sub 2} compounds and also a study of the reaction kinetics of the formation of LaFeAsO{sub 1-x}F{sub x}.

  19. Method of making AlInSb by metal-organic chemical vapor deposition

    DOE Patents [OSTI]

    Biefeld, Robert M. (Albuquerque, NM); Allerman, Andrew A. (Albuquerque, NM); Baucom, Kevin C. (Albuquerque, NM)

    2000-01-01

    A method for producing aluminum-indium-antimony materials by metal-organic chemical vapor deposition (MOCVD). This invention provides a method of producing Al.sub.X In.sub.1-x Sb crystalline materials by MOCVD wherein an Al source material, an In source material and an Sb source material are supplied as a gas to a heated substrate in a chamber, said Al source material, In source material, and Sb source material decomposing at least partially below 525.degree. C. to produce Al.sub.x In.sub.1-x Sb crystalline materials wherein x is greater than 0.002 and less than one.

  20. Origin of deep subgap states in amorphous indium gallium zinc oxide: Chemically disordered coordination of oxygen

    SciTech Connect (OSTI)

    Sallis, S.; Williams, D. S.; Butler, K. T.; Walsh, A.; Quackenbush, N. F.; Junda, M.; Podraza, N. J.; Fischer, D. A.; Woicik, J. C.; White, B. E.; Piper, L. F. J.

    2014-06-09

    The origin of the deep subgap states in amorphous indium gallium zinc oxide (a-IGZO), whether intrinsic to the amorphous structure or not, has serious implications for the development of p-type transparent amorphous oxide semiconductors. We report that the deep subgap feature in a-IGZO originates from local variations in the oxygen coordination and not from oxygen vacancies. This is shown by the positive correlation between oxygen composition and subgap intensity as observed with X-ray photoelectron spectroscopy. We also demonstrate that the subgap feature is not intrinsic to the amorphous phase because the deep subgap feature can be removed by low-temperature annealing in a reducing environment. Atomistic calculations of a-IGZO reveal that the subgap state originates from certain oxygen environments associated with the disorder. Specifically, the subgap states originate from oxygen environments with a lower coordination number and/or a larger metal-oxygen separation.

  1. Co-Al mixed metal oxides/carbon nanotubes nanocomposite prepared via a precursor route and enhanced catalytic property

    SciTech Connect (OSTI)

    Fan Guoli; Wang Hui; Xiang Xu; Li Feng

    2013-01-15

    The present work reported the synthesis of Co-Al mixed metal oxides/carbon nanotubes (CoAl-MMO/CNT) nanocomposite from Co-Al layered double hydroxide/CNTs composite precursor (CoAl-LDH/CNT). The materials were characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), low temperature nitrogen adsorption-desorption experiments, thermogravimetric and differential thermal analyses (TG-DTA), Raman spectra and X-ray photoelectron spectroscopy (XPS). The results revealed that in CoAl-MMO/CNT nanocomposite, the nanoparticles of cobalt oxide (CoO) and Co-containing spinel-type complex metal oxides could be well-dispersed on the surface of CNTs, thus forming the heterostructure of CoAl-MMO and CNTs. Furthermore, as-synthesized CoAl-MMO/CNT nanocomposite was utilized as additives for catalytic thermal decomposition of ammonium perchlorate (AP). Compared to those for pure AP and CoAl-MMO, the peak temperature of AP decomposition for CoAl-MMO/CNT was significantly decreased, which is attributed to the novel heterostructure and synergistic effect of multi-component metal oxides of nanocomposite. - Graphical abstract: Hybrid Co-Al mixed metal oxides/carbon nanotubes nanocomposite showed the enhanced catalytic activity in the thermal decomposition of ammonium perchlorate, as compared to carbon nanotubes and pure Co-Al mixed metal oxides. Highlights: Black-Right-Pointing-Pointer Co-Al mixed metal oxides/carbon nanotubes nanocomposite was synthesized. Black-Right-Pointing-Pointer Co-Al mixed metal oxides consisted of cobalt oxide and Co-containing spinels. Black-Right-Pointing-Pointer Nanocomposite exhibited excellent catalytic activity for the decomposition of AP. Black-Right-Pointing-Pointer The superior catalytic property is related to novel heterostructure and composition.

  2. On-line coating of glass with tin oxide by atmospheric pressure chemical vapor deposition.

    SciTech Connect (OSTI)

    Allendorf, Mark D.; Sopko, J.F. (PPF Industries, Pittsburgh, PA); Houf, William G.; Chae, Yong Kee; McDaniel, Anthony H.; Li, M. (PPF Industries, Pittsburgh, PA); McCamy, J.W.

    2006-11-01

    Atmospheric pressure chemical vapor deposition (APCVD) of tin oxide is a very important manufacturing technique used in the production of low-emissivity glass. It is also the primary method used to provide wear-resistant coatings on glass containers. The complexity of these systems, which involve chemical reactions in both the gas phase and on the deposition surface, as well as complex fluid dynamics, makes process optimization and design of new coating reactors a very difficult task. In 2001 the U.S. Dept. of Energy Industrial Technologies Program Glass Industry of the Future Team funded a project to address the need for more accurate data concerning the tin oxide APCVD process. This report presents a case study of on-line APCVD using organometallic precursors, which are the primary reactants used in industrial coating processes. Research staff at Sandia National Laboratories in Livermore, CA, and the PPG Industries Glass Technology Center in Pittsburgh, PA collaborated to produce this work. In this report, we describe a detailed investigation of the factors controlling the growth of tin oxide films. The report begins with a discussion of the basic elements of the deposition chemistry, including gas-phase thermochemistry of tin species and mechanisms of chemical reactions involved in the decomposition of tin precursors. These results provide the basis for experimental investigations in which tin oxide growth rates were measured as a function of all major process variables. The experiments focused on growth from monobutyltintrichloride (MBTC) since this is one of the two primary precursors used industrially. There are almost no reliable growth-rate data available for this precursor. Robust models describing the growth rate as a function of these variables are derived from modeling of these data. Finally, the results are used to conduct computational fluid dynamic simulations of both pilot- and full-scale coating reactors. As a result, general conclusions are reached concerning the factors affecting the growth rate in on-line APCVD reactors. In addition, a substantial body of data was generated that can be used to model many different industrial tin oxide coating processes. These data include the most extensive compilation of thermochemistry for gas-phase tin-containing species as well as kinetic expressions describing tin oxide growth rates over a wide range of temperatures, pressures, and reactant concentrations.

  3. Electronically conductive ceramics for high temperature oxidizing environments

    DOE Patents [OSTI]

    Kucera, Gene H. (Downers Grove, IL); Smith, James L. (Lemont, IL); Sim, James W. (Evergreen Park, IL)

    1986-01-01

    A high temperature, ceramic composition having electronic conductivity as measured by resistivity below about 500 ohm-cm, chemical stability particularly with respect to cathode conditions in a molten carbonate fuel cell, and composed of an alkali metal, transition metal oxide containing a dopant metal in the crystalline structure to replace a portion of the alkali metal or transition metal.

  4. Small cell experiments for electrolytic reduction of uranium oxides to uranium metal using fluoride salts

    SciTech Connect (OSTI)

    Haas, P.A.; Adcock, P.W.; Coroneos, A.C.; Hendrix, D.E. )

    1994-08-01

    Electrolytic reduction of uranium oxide was proposed for the preparation of uranium metal feed for the atomic vapor laser isotope separation (AVLIS) process. A laboratory cell of 25-cm ID was operated to obtain additional information in areas important to design and operation of a pilot plant cell. Reproducible test results and useful operating and control procedures were demonstrated. About 20 kg of uranium metal of acceptable purity were prepared. A good supply of dissolved UO[sub 2] feed at the anode is the most important controlling requirement for efficient cell operation. A large fraction of the cell current is nonproductive in that it does not produce a metal product nor consume carbon anodes. All useful test conditions gave some reduction of UF[sub 4] to produce CF[sub 4] in addition to the reduction of UO[sub 2], but the fraction of metal from the reduction of UF[sub 4] can be decreased by increasing the concentration of dissolved UO[sub 2]. Operation of large continuous cells would probably be limited to current efficiencies of less than 60 pct, and more than 20 pct of the metal would result from the reduction of UF[sub 4].

  5. Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate.

    SciTech Connect (OSTI)

    Herbinet, O; Pitz, W J; Westbrook, C K

    2009-07-21

    Detailed chemical kinetic mechanisms were developed and used to study the oxidation of two large unsaturated esters: methyl-5-decenoate and methyl-9-decenoate. These models were built from a previous methyl decanoate mechanism and were compared with rapeseed oil methyl esters oxidation experiments in a jet stirred reactor. A comparative study of the reactivity of these three oxygenated compounds was performed and the differences in the distribution of the products of the reaction were highlighted showing the influence of the presence and the position of a double bond in the chain. Blend surrogates, containing methyl decanoate, methyl-5-decenoate, methyl-9-decenoate and n-alkanes, were tested against rapeseed oil methyl esters and methyl palmitate/n-decane experiments. These surrogate models are realistic kinetic tools allowing the study of the combustion of biodiesel fuels in diesel and homogeneous charge compression ignition engines.

  6. Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate

    SciTech Connect (OSTI)

    Herbinet, Olivier; Pitz, William J.; Westbrook, Charles K.

    2010-05-15

    Detailed chemical kinetic mechanisms were developed and used to study the oxidation of two large unsaturated esters: methyl-5-decenoate and methyl-9-decenoate. These models were built from a previous methyl decanoate mechanism and were compared with rapeseed oil methyl esters oxidation experiments in a jet-stirred reactor. A comparative study of the reactivity of these three oxygenated compounds was performed and the differences in the distribution of the products of the reaction were highlighted showing the influence of the presence and the position of a double bond in the chain. Blend surrogates, containing methyl decanoate, methyl-5-decenoate, methyl-9-decenoate and n-alkanes, were tested against rapeseed oil methyl esters and methyl palmitate/n-decane experiments. These surrogate models are realistic kinetic tools allowing the study of the combustion of biodiesel fuels in diesel and homogeneous charge compression ignition engines. (author)

  7. Novel, band-controlled metal oxide compositions for semiconductor-mediated photocatalytic splitting of water to produce H{sub 2}

    SciTech Connect (OSTI)

    Gupta, Narendra M.

    2013-02-05

    Semiconductor-mediated photo-catalytic dissociation of water offers a unique opportunity for the production of H{sub 2}, a sustainable source of energy. More efficient and chemically stable photo-catalysts, however, remain a vital requirement for commercial viability of this process. The recent research in my group has focused on the synthesis of several new metal oxide (MO) photo-catalysts, such as: LaInO{sub 3}, GaFeO{sub 3}, InVO{sub 4}, In{sub 2}TiO{sub 5} and nanotubular TiO{sub 2}. These samples of controlled grain morphology have been synthesized by using different synthesis protocols and with and without coating of a noble metal co-catalyst. The doping of an impurity, either at cationic or at anionic lattice site, has helped in the tailoring of band structure and making these oxides visible-light-sensitive. Our study has revealed that the surface characteristics, grain morphology, band structure, and doping-induced lattice imperfections control the photo-physical properties and overall photo-catalytic water splitting activity of these metal/MO composites [1-6]. We have demonstrated that, besides promoting certain charge-transfer steps, metal-semiconductor interfaces influence the adsorption of water molecules and their subsequent interaction with photo-generated electron-hole pair at the catalyst surface. The role played by the above-mentioned micro-structural properties in photo-catalytic water splitting process will be discussed.

  8. High Temperature Strength of YSZ Joints Brazed with Palladium Silver Copper Oxide Filler Metals

    SciTech Connect (OSTI)

    Darsell, Jens T.; Weil, K. Scott

    2010-06-09

    The Ag-CuOx system is being investigated as potential filler metals for use in air brazing high-temperature electrochemical devices such as solid oxide fuel cells and gas concentrators. The current study examines the effects of palladium addition on the high temperature joint strength of specimens prepared from yttria stabilized zirconia (YSZ) bars brazed with the binary Ag-CuOx, and 15Pd-Ag-CuO. It was found that while the binary Ag-CuOx system exhibits stronger room temperature strength than the 15Pd system the strength is reduced to values equivalent of the 15Pd system at 800C. The 15Pd system exhibits a lower ambient temperature strength that is retained at 800C. In both systems the failure mechanism at high temperature appears to be peeling of the noble metal component from the oxide phases and tearing through the noble metal phase whereas sufficient adhesion is retained at lower temperatures to cause fracture of the YSZ substrate.

  9. Manganese Doping of Magnetic Iron Oxide Nanoparticles: Tailoring Surface Reactivity for a Regenerable Heavy Metal Sorbent

    SciTech Connect (OSTI)

    Warner, Cynthia L.; Chouyyok, Wilaiwan; Mackie, Katherine E.; Neiner, Doinita; Saraf, Laxmikant; Droubay, Timothy C.; Warner, Marvin G.; Addleman, Raymond S.

    2012-02-28

    A method for tuning the analyte affinity of magnetic, inorganic nanostructured sorbents for heavy metal contaminants is described. The manganese-doped iron oxide nanoparticle sorbents have a remarkably high affinity compared to the precursor material. Sorbent affinity can be tuned toward an analyte of interest simply by adjustment of the dopant quantity. The results show that following the Mn doping process there is a large increase in affinity and capacity for heavy metals (i.e., Co, Ni, Zn, As, Ag, Cd, Hg, and Tl). Capacity measurements were carried out for the removal of cadmium from river water and showed significantly higher loading than the relevant commercial sorbents tested for comparison. The reduction in Cd concentration from 100 ppb spiked river water to 1 ppb (less than the EPA drinking water limit of 5 ppb for Cd) was achieved following treatment with the Mn-doped iron oxide nanoparticles. The Mn-doped iron oxide nanoparticles were able to load 1 ppm of Cd followed by complete stripping and recovery of the Cd with a mild acid wash. The Cd loading and stripping is shown to be consistent through multiple cycles with no loss of sorbent performance.

  10. Variation of the shape and morphological properties of silica and metal oxide powders by electro homogeneous precipitation

    DOE Patents [OSTI]

    Harris, Michael T. (Knoxville, TN); Basaran, Osman A. (Oak Ridge, TN); Sisson, Warren G. (Oak Ridge, TN); Brunson, Ronald R. (Lenoir City, TN)

    1997-01-01

    The present invention provides a method for preparing irreversible linear aggregates (fibrils) of metal oxide powders by utilizing static or pulsed DC electrical fields across a relatively non-conducting liquid solvent in which organometal compounds or silicon alkoxides have been dissolved. The electric field is applied to the relatively non-conducting solution throughout the particle formation and growth process promoting the formation of either linear aggregates (fibrils) or spherical shaped particles as desired. Thus the present invention provides a physical method for altering the size, shape and porosity of precursor hydrous metal oxide or hydrous silicon oxide powders for the development of advanced ceramics with improved strength and insulating capacity.

  11. Low temperature photochemical vapor deposition of alloy and mixed metal oxide films

    DOE Patents [OSTI]

    Liu, D.K.

    1992-12-15

    Method and apparatus are described for formation of an alloy thin film, or a mixed metal oxide thin film, on a substrate at relatively low temperatures. Precursor vapor(s) containing the desired thin film constituents is positioned adjacent to the substrate and irradiated by light having wavelengths in a selected wavelength range, to dissociate the gas(es) and provide atoms or molecules containing only the desired constituents. These gases then deposit at relatively low temperatures as a thin film on the substrate. The precursor vapor(s) is formed by vaporization of one or more precursor materials, where the vaporization temperature(s) is selected to control the ratio of concentration of metals present in the precursor vapor(s) and/or the total precursor vapor pressure. 7 figs.

  12. Low temperature photochemical vapor deposition of alloy and mixed metal oxide films

    DOE Patents [OSTI]

    Liu, David K.

    1992-01-01

    Method and apparatus for formation of an alloy thin film, or a mixed metal oxide thin film, on a substrate at relatively low temperatures. Precursor vapor(s) containing the desired thin film constituents is positioned adjacent to the substrate and irradiated by light having wavelengths in a selected wavelength range, to dissociate the gas(es) and provide atoms or molecules containing only the desired constituents. These gases then deposit at relatively low temperatures as a thin film on the substrate. The precursor vapor(s) is formed by vaporization of one or more precursor materials, where the vaporization temperature(s) is selected to control the ratio of concentration of metals present in the precursor vapor(s) and/or the total precursor vapor pressure.

  13. Chemical Engineering Division fuel cycle programs. Quarterly progress report, April-June 1979. [Pyrochemical/dry processing; waste encapsulation in metal; transport in geologic media

    SciTech Connect (OSTI)

    Steindler, M.J.; Ader, M.; Barletta, R.E.

    1980-09-01

    For pyrochemical and dry processing materials development included exposure to molten metal and salt of Mo-0.5% Ti-0.07% Ti-0.01% C, Mo-30% W, SiC, Si/sub 2/ON/sub 2/, ZrB/sub 2/-SiC, MgAl/sub 2/O/sub 4/, Al/sub 2/O/sub 3/, AlN, HfB/sub 2/, Y/sub 2/O/sub 3/, BeO, Si/sub 3/N/sub 4/, nickel nitrate-infiltrated W, W-coated Mo, and W-metallized alumina-yttria. Work on Th-U salt transport processing included solubility of Th in liquid Cd, defining the Cd-Th and Cd-Mg-Th phase diagrams, ThO/sub 2/ reduction experiments, and electrolysis of CaO in molten salt. Work on pyrochemical processes and associated hardware for coprocessing U and Pu in spent FBR fuels included a second-generation computer model of the transport process, turntable transport process design, work on the U-Cu-Mg system, and U and Pu distribution coefficients between molten salt and metal. Refractory metal vessels are being service-life tested. The chloride volatility processing of Th-based fuel was evaluated for its proliferation resistance, and a preliminary ternary phase diagram for the Zn-U-Pu system was computed. Material characterization and process analysis were conducted on the Exportable Pyrochemical process (Pyro-Civex process). Literature data on oxidation of fissile metals to oxides were reviewed. Work was done on chemical bases for the reprocessing of actinide oxides in molten salts. Flowsheets are being developed for the processing of fuel in molten tin. Work on encapsulation of solidified radioactive waste in metal matrix included studies of leach rate of crystalline waste materials and of the impact resistance of metal-matrix waste forms. In work on the transport properties of nuclear waste in geologic media, adsorption of Sr on oolitic limestone was studied, as well as the migration of Cs in basalt. Fitting of data on the adsorption of iodate by hematite to a mathematical model was attempted.

  14. Correlation effects in (111) bilayers of perovskite transition-metal oxides

    SciTech Connect (OSTI)

    Okamoto, Satoshi; Zhu, Wenguang; Nomura, Yusuke; Arita, R.; Xiao, Di; Nagaosa, Naoto

    2014-01-01

    We investigate the correlation-induced Mott, magnetic, and topological phase transitions in artificial (111) bilayers of perovskite transition-metal oxides LaAuO3 and SrIrO3 for which the previous density-functional theory calculations predicted topological insulating states. Using the dynamical-mean-field theory with realistic band structures and Coulomb interactions, LaAuO3 bilayer is shown to be far away from a Mott insulating regime, and a topological-insulating state is robust. On the other hand, SrIrO3 bilayer is on the verge of an orbital-selective topological Mott transition and turns to a trivial insulator by an antiferromagnetic ordering. Oxide bilayers thus provide a novel class of topological materials for which the interplay between the spin-orbit coupling and electron-electron interactions is a fundamental ingredient.

  15. Irradiation of Metallic and Oxide Fuels for Actinide Transmutation in the ATR

    SciTech Connect (OSTI)

    MacLean, Heather J.; Hayes, Steven L.

    2007-07-01

    Metallic fuels containing minor actinides and rare earth additions have been fabricated and are prepared for irradiation in the ATR, scheduled to begin during the summer of 2007. Oxide fuels containing minor actinides are being fabricated and will be ready for irradiation in ATR, scheduled to begin during the summer of 2008. Fabrication and irradiation of these fuels will provide detailed studies of actinide transmutation in support of the Global Nuclear Energy Partnership. These fuel irradiations include new fuel compositions that have never before been tested. Results from these tests will provide fundamental data on fuel irradiation performance and will advance the state of knowledge for transmutation fuels. (authors)

  16. Rapid thermal cycling of metal-supported solid oxide fuel cellmembranes

    SciTech Connect (OSTI)

    Matus, Yuriy B.; De Jonghe, Lutgard C.; Jacobson, Craig P.; Visco, Steven J.

    2004-01-02

    Solid oxide fuel cell (SOFC) membranes were developed in which zirconia-based electrolyte thin films were supported by a composite metal/ceramic electrode, and were subjected to rapid thermal cycling between 200 and 800 C. The effects of this cycling on membrane performance were evaluated. The membranes, not yet optimized for performance, showed a peak power density of 350mW/cm2at 900 C in laboratory-sized SOFCs that was not affected by the thermal cycling. This resistance to cycling degradation is attributed to the close matching of thermal expansion coefficient of the cermet support electrode with that of the zirconia electrolyte.

  17. Visible-light-induced instability in amorphous metal-oxide based TFTs for transparent electronics

    SciTech Connect (OSTI)

    Ha, Tae-Jun

    2014-10-15

    We investigate the origin of visible-light-induced instability in amorphous metal-oxide based thin film transistors (oxide-TFTs) for transparent electronics by exploring the shift in threshold voltage (V{sub th}). A large hysteresis window in amorphous indium-gallium-zinc-oxide (a-IGZO) TFTs possessing large optical band-gap (?3 eV) was observed in a visible-light illuminated condition whereas no hysteresis window was shown in a dark measuring condition. We also report the instability caused by photo irradiation and prolonged gate bias stress in oxide-TFTs. Larger V{sub th} shift was observed after photo-induced stress combined with a negative gate bias than the sum of that after only illumination stress and only negative gate bias stress. Such results can be explained by trapped charges at the interface of semiconductor/dielectric and/or in the gate dielectric which play a role in a screen effect on the electric field applied by gate voltage, for which we propose that the localized-states-assisted transitions by visible-light absorption can be responsible.

  18. Survey: Destruction of chemical agent simulants in supercritical water oxidation. Master's thesis

    SciTech Connect (OSTI)

    Blank, M.R.

    1992-07-01

    The supercritical water oxidation (SCWO) process exhibits distinct advantages for destruction of toxic wastes. Examples of these wastes are two chemical agent simulants, dimethyl methylphosphonate (DMMP) and thiodiglycol (2,2'-thiodiethanol). DMMP is similar to the nerve agent GB Sarin in structure, and thiodiglycol is a hydrolysis product of the blister agent HD Sulfur Mustard. Both simulants are miscible in water and relatively non-toxic in comparison to the actual chemical agents. Using a Laboratory-scale, batch three temperatures were investigated: 425 deg C, 450 deg C, and 500 deg C with an initial concentration of one percent by volume, 11,450 mg/L for DMMP and 12,220 mg/L for thiodiglycol. Residence times investigated were: 1, 2, 3, 6, and 8 minutes. Reactor beat-up (H.U.) was determined to be one minute. Both pyrolysis and oxidation tests were conducted. Oxygen levels were uniformly set at 200% of stoichiometric requirements for the parent compounds.

  19. Effects of heavy metals on biomarkers for oxidative stress in Griffon vulture (Gyps fulvus)

    SciTech Connect (OSTI)

    Espn, Silvia; Martnez-Lpez, Emma; Jimnez, Pedro; Mara-Mojica, Pedro; Garca-Fernndez, Antonio J.

    2014-02-01

    Metals are involved in the formation of reactive oxygen species (ROS) which may result in metal-related oxidative stress that can lead to oxidative damage to lipids, DNA and proteins. It is necessary to understand the mechanisms of metal toxicity in wild birds, and the concentrations that cause effects on oxidative stress biomarkers. The aim of this study is to assess the concentrations of lead (Pb), cadmium (Cd), mercury (Hg), copper (Cu) and zinc (Zn) with regards to oxidative stress in blood samples of 66 Griffon vultures (Gyps fulvus) from two areas of the Autonomous Community of Valencia (East of Spain). The two study areas (Alcoy n=36 and Cinctorres n=30) were selected as random locations of interest that had not yet been studied, and are feeding stations where supplementary food, mainly of pork origin, is provided for vultures. Given that the two study areas are not considered polluted sites, we expected to find low metal concentrations. However, there are no known threshold concentrations at which metals can affect antioxidant systems, and low metal levels may have an effect on antioxidant biomolecules. In this study, since sampling was done at the beginning of the hunting season, the low Pb levels found in most Griffon vultures from Alcoy and Cinctorres (median=12.37 and 16.26 ?g/dl, respectively) are suggestive of background levels usually found in vultures that feed on pork carcasses all year round. The ingestion of game meat with bullet fragments in carcasses or with Pb shots embedded in the flesh could be the cause of the high blood Pb concentrations found in three vultures from Cinctorres (83, 290 and 362 ?g/dl). Griffon vultures feeding in Cinctorres had enhanced CAT and GST activities and tGSH concentrations, which may be interpreted as protective response against the higher TBARS levels. This study provides threshold concentrations at which metals affect antioxidant system derived from 66 samples of Griffon vulture. Blood Cd concentrations greater than 0.05 ?g/dl produced an induction of 33% in GPx and of 44% in CAT activity in erythrocytes of vultures from Alcoy. Hg concentrations in blood higher than 3 ?g/dl produced an induction of 10% in SOD activity. Concentrations of Pb above 15 g/dl in blood produced an inhibition of 12.5% in GPx and 11.3% in CAT activity, and a TBARS induction of 10.7% in erythrocytes of Griffon vultures. - Highlights: Except for 3 Griffon vultures, lead levels could be considered background levels. Three vultures may be exposed to meat with bullet fragments (blood Pb=83362 ?g/dl). Blood Cd levels?0.05 ?g/dl caused an induction of GPx and CAT activity (33% and 44%). Blood Hg levels?3 ?g/dl caused an induction of 10% in SOD activity. Blood Pb?15 g/dl caused an inhibition of GPx and CAT activity and a TBARS induction.

  20. Impact of Iron-Reducing Bacteria on Metals and Radionuclides Adsorbed to Humic-Coated Iron(III) Oxides

    SciTech Connect (OSTI)

    Burgos, W. D.

    2005-02-01

    This is the final report for Grant No. DEFGO2-98ER62691 submitted to the DOE NABR Program. This research has focused on (1) the role of natural organic matter (NOM), quinines, and complexants in enhancing the biological reduction of solid-phase crystalline ferric oxides, (2) the effect of heavy metals (specifically zinc) and NOM on ferric oxide bioreduction, (3) the sorption of Me(II) [Cu(II), Fe(II), Mn(II) and Zn(II)] to ferric oxides and subsequent Me(II)-promoted phase transformations of the ferric oxides, and (4) the development of reaction-based biogeochemical models to numerically simulate our experimental results.

  1. Sodiation kinetics of metal oxide conversion electrodes: A comparative study with lithiation

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

    He, Kai; Lin, Feng; Zhu, Yizhou; Yu, Xiqian; Li, Jing; Lin, Ruoqian; Nordlund, Dennis; Weng, Tsu Chien; Richards, Ryan M.; Yang, Xiao -Qing; et al

    2015-08-19

    The development of sodium ion batteries (NIBs) can provide an alternative to lithium ion batteries (LIBs) for sustainable, low-cost energy storage. However, due to the larger size and higher m/e ratio of the sodium ion compared to lithium, sodiation reactions of candidate electrodes are expected to differ in significant ways from the corresponding lithium ones. In this work, we investigated the sodiation mechanism of a typical transition metal-oxide, NiO, through a set of correlated techniques, including electrochemical and synchrotron studies, real-time electron microscopy observation, and ab initio molecular dynamics (MD) simulations. We found that a crystalline Na₂O reaction layer thatmore » was formed at the beginning of sodiation plays an important role in blocking the further transport of sodium ions. In addition, sodiation in NiO exhibits a “shrinking-core” mode that results from a layer-by-layer reaction, as identified by ab initio MD simulations. For lithiation, however, the formation of Li anti-site defects significantly distorts the local NiO lattice that facilitates Li insertion, thus enhancing the overall reaction rate. These observations delineate the mechanistic difference between sodiation and lithiation in metal-oxide conversion materials. More importantly, our findings identify the importance of understanding the role of reaction layers on the functioning of electrodes and thus provide critical insights into further optimizing NIB materials through surface engineering.« less

  2. Sodiation kinetics of metal oxide conversion electrodes: A comparative study with lithiation

    SciTech Connect (OSTI)

    He, Kai; Lin, Feng; Zhu, Yizhou; Yu, Xiqian; Li, Jing; Lin, Ruoqian; Nordlund, Dennis; Weng, Tsu Chien; Richards, Ryan M.; Yang, Xiao -Qing; Doeff, Marca M.; Stach, Eric A.; Mo, Yifei; Xin, Huolin L.; Su, Dong

    2015-08-19

    The development of sodium ion batteries (NIBs) can provide an alternative to lithium ion batteries (LIBs) for sustainable, low-cost energy storage. However, due to the larger size and higher m/e ratio of the sodium ion compared to lithium, sodiation reactions of candidate electrodes are expected to differ in significant ways from the corresponding lithium ones. In this work, we investigated the sodiation mechanism of a typical transition metal-oxide, NiO, through a set of correlated techniques, including electrochemical and synchrotron studies, real-time electron microscopy observation, and ab initio molecular dynamics (MD) simulations. We found that a crystalline Na?O reaction layer that was formed at the beginning of sodiation plays an important role in blocking the further transport of sodium ions. In addition, sodiation in NiO exhibits a shrinking-core mode that results from a layer-by-layer reaction, as identified by ab initio MD simulations. For lithiation, however, the formation of Li anti-site defects significantly distorts the local NiO lattice that facilitates Li insertion, thus enhancing the overall reaction rate. These observations delineate the mechanistic difference between sodiation and lithiation in metal-oxide conversion materials. More importantly, our findings identify the importance of understanding the role of reaction layers on the functioning of electrodes and thus provide critical insights into further optimizing NIB materials through surface engineering.

  3. Generalized chemical route to develop fatty acid capped highly dispersed semiconducting metal sulphide nanocrystals

    SciTech Connect (OSTI)

    Patel, Jayesh D.; Chemical Engineering Department, University of Laval, Quebec, QC, G1K 7P4 ; Mighri, Frej; Chemical Engineering Department, University of Laval, Quebec, QC, G1K 7P4 ; Ajji, Abdellah; Chemical Engineering Department, Ecole Polytechnique, C.P. 6079, Succ. Centre-Ville Montreal, QC, H3C 3A7

    2012-08-15

    Highlights: ► Chemical route for the synthesis of OA-capped CdS, ZnS and PbS at low temperature. ► Synthesized nanocrystals via thermolysis of their metal–oleate complexes. ► Size quantized nanocrystals were highly dispersed and stable at room temperature. -- Abstract: This work deals with the synthesis of highly dispersed semiconducting nanocrystals (NCs) of cadmium sulphide (CdS), zinc sulphide (ZnS) and lead sulphide (PbS) through a simple and generalized process using oleic acid (OA) as surfactant. To synthesize these NCs, metal–oleate (M–O) complexes were obtained from the reaction at 140 °C between metal acetates and OA in hexanes media. Subsequently, M–O complexes were sulphurized using thioacetamide at the same temperature. Transmission electron microscopy (TEM) and X-ray diffraction (XRD) characterizations show that the synthesized products are of nanoscale-size with highly crystalline cubic phase. The optical absorption of OA-capped metal sulphide NCs confirms that their size quantization induced a large shift towards visible region. Photoluminescence (PL) spectrum of CdS NCs shows a broad band-edge emission with shallow and deep-trap emissions, while PL spectrum of ZnS NCs reveals a broad emission due to defects states on the surface. The thermogravimetric analysis (TGA) and Fourier transform infrared (FTIR) spectroscopy indicate that fatty acid monolayers were bound strongly on the nanocrystal surface as a carboxylate and the two oxygen atoms of the carboxylate were coordinated symmetrically to the surface of the NCs. The strong binding between the fatty acid and the NCs surface enhances the stability of NCs colloids. In general, this generalized route has a great potential in developing nanoscale metal sulphides for opto-electronic devices.

  4. High mobility single-crystalline-like GaAs thin films on inexpensive flexible metal substrates by metal-organic chemical vapor deposition

    SciTech Connect (OSTI)

    Dutta, P. Rathi, M.; Gao, Y.; Yao, Y.; Selvamanickam, V.; Zheng, N.; Ahrenkiel, P.; Martinez, J.

    2014-09-01

    We demonstrate heteroepitaxial growth of single-crystalline-like n and p-type doped GaAs thin films on inexpensive, flexible, and light-weight metal foils by metal-organic chemical vapor deposition. Single-crystalline-like Ge thin film on biaxially textured templates made by ion beam assisted deposition on metal foil served as the epitaxy enabling substrate for GaAs growth. The GaAs films exhibited strong (004) preferred orientation, sharp in-plane texture, low grain misorientation, strong photoluminescence, and a defect density of ?10{sup 7?}cm{sup ?2}. Furthermore, the GaAs films exhibited hole and electron mobilities as high as 66 and 300?cm{sup 2}/V-s, respectively. High mobility single-crystalline-like GaAs thin films on inexpensive metal substrates can pave the path for roll-to-roll manufacturing of flexible III-V solar cells for the mainstream photovoltaics market.

  5. Method and apparatus for preparation of spherical metal carbonates and lithium metal oxides for lithium rechargeable batteries

    DOE Patents [OSTI]

    Kang, Sun-Ho; Amine, Khalil

    2008-10-14

    A number of materials with the composition Li.sub.1+xNi.sub..alpha.Mn.sub..beta.Co.sub..gamma.M'.sub..delta.O.sub.2-- zF.sub.z (M'=Mg,Zn,Al,Ga,B,Zr,Ti) for use with rechargeable batteries, wherein x is between about 0 and 0.3, .alpha. is between about 0.2 and 0.6, .beta. is between about 0.2 and 0.6, .gamma. is between about 0 and 0.3, .delta. is between about 0 and 0.15, and z is between about 0 and 0.2. Adding the above metal and fluorine dopants affects capacity, impedance, and stability of the layered oxide structure during electrochemical cycling. Another aspect of the invention includes materials with the composition Li.sub.1+xNi.sub..alpha.Co.sub..beta.Mn.sub..gamma.M'.sub..delta.O.sub.yF- .sub.z (M'=Mg,Zn,Al,Ga,B,Zr,Ti), where the x is between 0 and 0.2, the .alpha. between 0 and 1, the .beta. between 0 and 1, the .gamma. between 0 and 2, the .delta. between about 0 and about 0.2, the y is between 2 and 4, and the z is between 0 and 0.5.

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

    SciTech Connect (OSTI)

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

    2015-05-07

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

  7. Effect of pre-oxidation and environmental aging on the seal strength of a novel high-temperature solid oxide fuel cell (SOFC) sealing glass with metallic interconnect

    SciTech Connect (OSTI)

    Chou, Y. S.; Stevenson, Jeffry W.; Singh, Prabhakar

    2008-09-15

    A novel high-temperature alkaline-earth silicate sealing glass was developed for solid oxide fuel cell (SOFC) applications. The glass was used to join two ferritic stainless steel coupons for strength evaluation. The steel coupons were pre-oxidized at elevated temperatures to promote thick oxide layers to simulate long-term exposure conditions. In addition, seals to as-received metal coupons were also tested after aging in oxidizing or reducing environments to simulate the actual SOFC environment. Room temperature tensile testing showed strength degradation when using pre-oxidized coupons, and more extensive degradation after aging in air. Fracture surface and microstructural analysis confirmed that the cause of degradation was formation of SrCrO4 at the outer sealing edges exposed to air.

  8. Disposition of Uranium -233 (sup 233U) in Plutonium Metal and Oxide at the Rocky Flats Environmental Technology Site

    SciTech Connect (OSTI)

    Freiboth, Cameron J.; Gibbs, Frank E.

    2000-03-01

    This report documents the position that the concentration of Uranium-233 ({sup 233}U) in plutonium metal and oxide currently stored at the DOE Rocky Flats Environmental Technology Site (RFETS) is well below the maximum permissible stabilization, packaging, shipping and storage limits. The {sup 233}U stabilization, packaging and storage limit is 0.5 weight percent (wt%), which is also the shipping limit maximum. These two plutonium products (metal and oxide) are scheduled for processing through the Building 371 Plutonium Stabilization and Packaging System (PuSPS). This justification is supported by written technical reports, personnel interviews, and nuclear material inventories, as compiled in the ''History of Uranium-233 ({sup 233}U) Processing at the Rocky Flats Plant In Support of the RFETS Acceptable Knowledge Program'' RS-090-056, April 1, 1999. Relevant data from this report is summarized for application to the PuSPS metal and oxide processing campaigns.

  9. Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation

    SciTech Connect (OSTI)

    Dumpala, Santoshrupa; Broderick, Scott R.; Rajan, Krishna; Khalilov, Umedjon; Neyts, Erik C.; Duin, Adri C. T. van; Provine, J; Howe, Roger T.

    2015-01-05

    In this paper, we quantitatively investigate with atom probe tomography, the effect of temperature on the interfacial transition layer suboxide species due to the thermal oxidation of silicon. The chemistry at the interface was measured with atomic scale resolution, and the changes in chemistry and intermixing at the interface were identified on a nanometer scale. We find an increase of suboxide (SiOx) concentration relative to SiO{sub 2} and increased oxygen ingress with elevated temperatures. Our experimental findings are in agreement with reactive force field molecular dynamics simulations. This work demonstrates the direct comparison between atom probe derived chemical profiles and atomistic-scale simulations for transitional interfacial layer of suboxides as a function of temperature.

  10. Chemical kinetic modeling of high pressure propane oxidation and comparison to experimental results. Revision 1

    SciTech Connect (OSTI)

    Koert, D.N.; Pitz, W.J.; Bozzelli, J.W.; Cernansky, N.P.

    1996-02-01

    A pressure dependent kinetic mechanism for propane oxidation is developed and compared to experimental data from a high pressure flow reactor. Experimental conditions range from 10--15 atm, 650--800 K, and a residence time of 198 ms for propane-air mixtures at an equivalence ratio of 0.4. The experimental results clearly indicate a negative temperature coefficient (NTC) behavior. The chemistry describing this phenomena is critical in understanding automotive engine knock and cool flame oscillations. Results of the numerical model are compared to a spectrum of stable species profiles sampled from the flow reactor. Rate constants and product channels for the reaction of propyl radicals, hydroperoxy-propyl radicals and important isomers (radicals) with O{sub 2} were estimated using thermodynamic properties, with multifrequency quantum Kassel Theory for k(E) coupled with modified strong collision analysis for fall-off. Results of the chemical kinetic model show an NTC region over nearly the same temperature regime as observed in the experiments. Sensitivity analysis identified the key reaction steps that control the rate of oxidation in the NTC region. The model reasonably simulates the profiles for many of the major and minor species observed in the experiments.

  11. Simulation of uranium transport with variable temperature and oxidation potential: The computer program THCC (Thermo-Hydro-Chemical Coupling)

    SciTech Connect (OSTI)

    Carnahan, C.L.

    1986-12-01

    A simulator of reactive chemical transport has been constructed with the capabilities of treating variable temperatures and variable oxidation potentials within a single simulation. Homogeneous and heterogeneous chemical reactions are simulated at temperature-dependent equilibrium, and changes of oxidation states of multivalent elements can be simulated during transport. Chemical mass action relations for formation of complexes in the fluid phase are included explicitly within the partial differential equations of transport, and a special algorithm greatly simplifies treatment of reversible precipitation of solid phases. This approach allows direct solution of the complete set of governing equations for concentrations of all aqueous species and solids affected simultaneously by chemical and physical processes. Results of example simulations of transport, along a temperature gradient, of uranium solution species under conditions of varying pH and oxidation potential and with reversible precipitation of uraninite and coffinite are presented. The examples illustrate how inclusion of variable temperature and oxidation potential in numerical simulators can enhance understanding of the chemical mechanisms affecting migration of multivalent waste elements.

  12. Method for producing metal oxide aerogels having densities less than 0.02 g/cc

    DOE Patents [OSTI]

    Tillotson, Thomas M. (Tracy, CA); Poco, John F. (Livermore, CA); Hrubesh, Lawrence W. (Pleasanton, CA); Thomas, Ian M. (Livermore, CA)

    1994-01-01

    A two-step method is described for making transparent aerogels which have a density of less than 0.003 g/cm.sup.3 to those with a density of more than 0.8 g/cm.sup.3, by a sol/gel process and supercritical extraction. Condensed metal oxide intermediate made with purified reagents can be diluted to produce stable aerogels with a density of less than 0.02 g/cm.sup.3. High temperature, direct supercritical extraction of the liquid phase of the gel produces hydrophobic aerogels which are stable at atmospheric moisture conditions. Monolithic, homogeneous silica aerogels with a density of less than 0.02 to higher than 0.8 g/cm.sup.3, with high thermal insulation capacity, improved mechanical strength and good optical transparency, are described.

  13. Method for producing metal oxide aerogels having densities less than 0. 02 g/cc

    DOE Patents [OSTI]

    Tillotson, T.M.; Poco, J.F.; Hrubesh, L.W.; Thomas, I.M.

    1994-01-04

    A two-step method is described for making transparent aerogels which have a density of less than 0.003 g/cm[sup 3] to those with a density of more than 0.8 g/cm[sup 3], by a sol/gel process and supercritical extraction. Condensed metal oxide intermediate made with purified reagents can be diluted to produce stable aerogels with a density of less than 0.02 g/cm[sup 3]. High temperature, direct supercritical extraction of the liquid phase of the gel produces hydrophobic aerogels which are stable at atmospheric moisture conditions. Monolithic, homogeneous silica aerogels with a density of less than 0.02 to higher than 0.8 g/cm[sup 3], with high thermal insulation capacity, improved mechanical strength and good optical transparency, are described. 7 figures.

  14. HEU to LEU conversion and blending facility: Metal blending alternative to produce LEU oxide for disposal

    SciTech Connect (OSTI)

    1995-09-01

    US DOE is examining options for disposing of surplus weapons-usable fissile materials and storage of all weapons-usable fissile materials. The nuclear material is converted to a form more proliferation- resistant than the original form. Blending HEU (highly enriched uranium) with less-enriched uranium to form LEU has been proposed as a disposition option. Five technologies are being assessed for blending HEU. This document provides data to be used in environmental impact analysis for the HEU-LEU disposition option that uses metal blending with an oxide waste product. It is divided into: mission and assumptions, conversion and blending facility descriptions, process descriptions and requirements, resource needs, employment needs, waste and emissions from plant, hazards discussion, and intersite transportation.

  15. Transient radiation hardened CMOS (complementary metal oxide semiconductor) operational amplifiers. Master's thesis

    SciTech Connect (OSTI)

    Trombley, G.J.

    1989-01-01

    General strategies are developed for designing radiation hardened bulk and silicon on insulator (SOI) complementary metal oxide semiconductor (CMOS) operational amplifiers. Comparisons are made between each technology concerning photocurrent mechanisms and the inherent advantages of SOI CMOS. Methods are presented for analysing circuit designs and minimizing the net photocurrent responses. Analysis is performed on standard operational amplifier circuits and subcircuits to demonstrate the usefulness of these methods. Radiation hardening topics discussed include superior radiation hardened topologies, photocurrent compensation and its limitations, and methods to ensure a preferred direction of photocurrent response. Several operational amplifier subcircuits are compared for their hardness characteristics. Folded cascode and three-stage operational amplifiers were fabricated on an SOI CMOS test chip supported by Texas Instruments, Incorporated. At the time of publication, the circuit operation was verified but radiation data were not yet available.

  16. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  17. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  18. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  19. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  20. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  1. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  2. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  3. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  4. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Print The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support, reactants, and products. Probing this chemical soup in real time under realistic reaction

  5. Nanoscale Chemical Imaging of a Working Catalyst

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

    Nanoscale Chemical Imaging of a Working Catalyst Nanoscale Chemical Imaging of a Working Catalyst Print Wednesday, 28 January 2009 00:00 The heterogeneous catalysts used in most chemical processes typically consist of nanoscale metal or metal oxide particles dispersed on high-surface-area supports. While these particles are the active elements of the catalyst, the overall performance depends not only on their size and composition but also on their multiple interactions with the support,

  6. Modeling and experimental studies of oxide covered metal surfaces: TiO{sub 2}/Ti a model system. Progress report

    SciTech Connect (OSTI)

    Smyrl, W.H.

    1991-12-31

    Prior work in our laboratories at the Corrosion Research Center has shown that thin, anodic TiO{sub 2} films formed by the Slow Growth Mode (SGM) on polycrystalline titanium and microcrystalline with a texture that varies from one metal grain to another. Furthermore, the underlying metal grains are mapped by the photoelectrochemical response of the oxide. The same characteristics have also been demonstrated in our laboratory for ZnO grown on Zn. The TiO{sub 2}/Ti system has been chosen for study both because of its importance in energy systems, and because it can serve as a model system for other metal-metal oxide couples. The investigations of anodic TiO{sub 2} films on Ti have shown that the properties of thin films are consistent with the rutile form of the oxide. Both experimental data and theoretical calculations show the close resemblance to results on single crystal TiO{sub 2}. Furthermore, the modeling studies reveal that the optical transitions near the bandedge arise from the bulk band structure. The photoelectrochemical properties of anodic TiO{sub 2} films have now been shown to obey the simple Gaertner-Butler model for the semiconductor-electrolyte interface, with a few modifications. The most important deviation has now been shown to be a result of multiple internal reflections in the oxide film.

  7. Modeling and experimental studies of oxide covered metal surfaces: TiO sub 2 /Ti a model system

    SciTech Connect (OSTI)

    Smyrl, W.H.

    1991-01-01

    Prior work in our laboratories at the Corrosion Research Center has shown that thin, anodic TiO{sub 2} films formed by the Slow Growth Mode (SGM) on polycrystalline titanium and microcrystalline with a texture that varies from one metal grain to another. Furthermore, the underlying metal grains are mapped by the photoelectrochemical response of the oxide. The same characteristics have also been demonstrated in our laboratory for ZnO grown on Zn. The TiO{sub 2}/Ti system has been chosen for study both because of its importance in energy systems, and because it can serve as a model system for other metal-metal oxide couples. The investigations of anodic TiO{sub 2} films on Ti have shown that the properties of thin films are consistent with the rutile form of the oxide. Both experimental data and theoretical calculations show the close resemblance to results on single crystal TiO{sub 2}. Furthermore, the modeling studies reveal that the optical transitions near the bandedge arise from the bulk band structure. The photoelectrochemical properties of anodic TiO{sub 2} films have now been shown to obey the simple Gaertner-Butler model for the semiconductor-electrolyte interface, with a few modifications. The most important deviation has now been shown to be a result of multiple internal reflections in the oxide film.

  8. Method of synthesizing a plurality of reactants and producing thin films of electro-optically active transition metal oxides

    DOE Patents [OSTI]

    Tracy, C. Edwin (Golden, CO); Benson, David K. (Golden, CO); Ruth, Marta R. (Golden, CO)

    1987-01-01

    A method of synthesizing electro-optically active reaction products from a plurality of reactants by inducing a reaction by plasma deposition among the reactants. The plasma reaction is effective for consolidating the reactants and producing thin films of electro-optically active transition metal oxides.

  9. Variation of the shape and morphological properties of silica and metal oxide powders by electro homogeneous precipitation

    DOE Patents [OSTI]

    Harris, M.T.; Basaran, O.A.; Sisson, W.G.; Brunson, R.R.

    1997-02-18

    The present invention provides a method for preparing irreversible linear aggregates (fibrils) of metal oxide powders by utilizing static or pulsed DC electrical fields across a relatively non-conducting liquid solvent in which organometal compounds or silicon alkoxides have been dissolved. The electric field is applied to the relatively non-conducting solution throughout the particle formation and growth process promoting the formation of either linear aggregates (fibrils) or spherical shaped particles as desired. Thus the present invention provides a physical method for altering the size, shape and porosity of precursor hydrous metal oxide or hydrous silicon oxide powders for the development of advanced ceramics with improved strength and insulating capacity. 3 figs.

  10. Chemical kinetic modeling of high pressure propane oxidation and comparison to experimental results

    SciTech Connect (OSTI)

    Koert, D.N.; Pitz, W.J.; Bozzelli, J.W.; Cernansky, N.P.

    1995-11-08

    A pressure dependent kinetic mechanism for propane oxidation is developed and compared to experimental data from a high pressure flow reactor. The experiment conditions range from 10--15 atm, 650--800 K, and were performed at a residence time of 200 {micro}s for propane-air mixtures at an equivalence ratio of 0.4. The experimental results include data on negative temperature coefficient (NTC) behavior, where the chemistry describing this phenomena is considered critical in understanding automotive engine knock and cool flame oscillations. Results of the numerical model are compared to a spectrum of stable species profiles sampled from the flow reactor. Rate constants and product channels for the reaction of propyl radicals, hydroperoxy-propyl radicals and important isomers with O{sub 2} were estimated using thermodynamic properties, with multifrequency quantum Kassel Theory for k(E) coupled with modified strong collision analysis for fall-off. Results of the chemical kinetic model show an NTC region over nearly the same temperature regime as observed in the experiments. The model simulates properly the production of many of the major and minor species observed in the experiments. Numerical simulations show many of the key reactions involving propylperoxy radicals are in partial equilibrium at 10--15 atm. This indicates that their relative concentrations are controlled by a combination of thermochemistry and rate of minor reaction channels (bleed reactions) rather than primary reaction rates. This suggests that thermodynamic parameters of the oxygenated species, which govern equilibrium concentrations, are important. The modeling results show propyl radical and hydroperoxy-propyl radicals reaction with O{sub 2} proceeds, primarily, through thermalized adducts, not chemically activated channels.

  11. The Statistical Evolution of Multiple Generations of Oxidation Products in the Photochemical Aging of Chemically Reduced Organic Aerosol

    SciTech Connect (OSTI)

    Wilson, Kevin R.; Smith, Jared D.; Kessler, Sean; Kroll, Jesse H.

    2011-10-03

    The heterogeneous reaction of hydroxyl radicals (OH) with squalane and bis(2-ethylhexyl) sebacate (BES) particles are used as model systems to examine how distributions of reactionproducts evolve during the oxidation of chemically reduced organic aerosol. A kinetic model of multigenerational chemistry, which is compared to previously measured (squalane) and new(BES) experimental data, reveals that it is the statistical mixtures of different generations of oxidation products that control the average particle mass and elemental composition during thereaction. The model suggests that more highly oxidized reaction products, although initially formed with low probability, play a large role in the production of gas phase reaction products.In general, these results highlight the importance of considering atmospheric oxidation as a statistical process, further suggesting that the underlying distribution of molecules could playimportant roles in aerosol formation as well as in the evolution of key physicochemical properties such as volatility and hygroscopicity.

  12. Unifying Chemical and Physical Principles for Oxide Superconductivity Based on an Anionic Charge Order Model

    SciTech Connect (OSTI)

    Oesterreicher, H.

    2001-05-01

    Subperoxidic O{sub 2}{sup 3-} charge ordering presents a satisfying basis for a quantitative, conceptually realistic, and unifying understanding of cuprate superconductors. The activity of O{sup -} manifests itself in a variety of ways including a universal T{sub c} scaling with O{sup -} per total O, or more generally, in the subperoxide radical concentration. Also, a characteristic crystal chemistry of O{sup -} placement is indicated. As an example, trends to preferential O{sup -} occupation of the apical sites are correlated with c axis and T{sub c} decreases providing a new crystallographic interpretation of the overdoping question. Generally, subperoxides can be created on overoxidation or through various modes of self doping through lattice pressure-related factors. Accordingly, the role of peranion formation is seen as a most general chemical principle for ameliorating stacking mismatch through electronic liquefaction under internal stress . Cases are discussed (e.g., YBa{sub 2}Cu{sub 3}O{sub 6.5}) where the tension on cooling can result in stratified self-doping steps. A variety of experiments indicating charge order properties, such as stripes and slow charge propagation, are interpreted on the anionic model. Subperoxidic pair formation and charge ordering energetics are discussed. Concepts are further generalized for other cases (e.g., carbides or nitrides) of anionic metallicity and superconductivity. Common aspects are mobile, paired charge orders of radicals coupled through bond polarizations.

  13. ARM - Measurement - Inorganic chemical composition

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

    govMeasurementsInorganic chemical composition ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Measurement : Inorganic chemical composition The chemical composition of an aerosol, with the exception of those with hydrocarbons, and usually including carbides, oxides of carbon, metallic carbonates, carbon sulfur compounds, and carbon nitrogen compounds. Categories Aerosols Instruments The above measurement is

  14. Selective CO{sub 2} reduction conjugated with H{sub 2}O oxidation utilizing semiconductor/metal-complex hybrid photocatalysts

    SciTech Connect (OSTI)

    Morikawa, T. Sato, S. Arai, T. Uemura, K. Yamanaka, K. I. Suzuki, T. M. Kajino, T. Motohiro, T.

    2013-12-10

    We developed a new hybrid photocatalyst for CO{sub 2} reduction, which is composed of a semiconductor and a metal complex. In the hybrid photocatalyst, ?G between the position of conduction band minimum (E{sub CBM}) of the semiconductor and the CO{sub 2} reduction potential of the complex is an essential factor for realizing fast electron transfer from the conduction band of semiconductor to metal complex leading to high photocatalytic activity. On the basis of this concept, the hybrid photocatalyst InP/Ru-complex, which functions in aqueous media, was developed. The photoreduction of CO{sub 2} to formate using water as an electron donor and a proton source was successfully achieved as a Z-scheme system by functionally conjugating the InP/Ru-complex photocatalyst for CO{sub 2} reduction with a TiO{sub 2} photocatalyst for water oxidation. The conversion efficiency from solar energy to chemical energy was ca. 0.04%, which approaches that for photosynthesis in a plant. Because this system can be applied to many other inorganic semiconductors and metal-complex catalysts, the efficiency and reaction selectivity can be enhanced by optimization of the electron transfer process including the energy-band configurations, conjugation conformations, and catalyst structures. This electrical-bias-free reaction is a huge leap forward for future practical applications of artificial photosynthesis under solar irradiation to produce organic species.

  15. Electric double layer at metal oxide surfaces: Static properties of the cassiterite - Water Interface

    SciTech Connect (OSTI)

    Vlcek, Lukas; Zhang, Zhan; Machesky, Michael L.; Wesolowski, David J

    2007-04-01

    The structure of water at the (110) surface of cassiterite ({alpha}-SnO{sub 2}) at ambient conditions was studied by means of molecular dynamics simulations and X-ray crystal truncation rod experiments and interpreted with the help of the revised MUSIC model of surface protonation. The interactions of the metal oxide in the simulations were described by a recently developed classical force field based on the SPC/E model of water. Two extreme cases of completely hydroxylated and nonhydroxylated surfaces were considered along with a mixed surface with 50% dissociation. To study the dependence of the surface properties on pH, neutral and negatively charged variants of the surfaces were constructed. Axial and lateral density distributions of water for different types of surfaces were compared to each other and to experimental axial density distributions found by X-ray experiments. Although significant differences were found between the structures of the studied interfaces, the axial distances between Sn and O atoms are very similar and therefore could not be clearly distinguished by the diffraction technique. The explanation of structures observed in the density distributions was provided by a detailed analysis of hydrogen bonding in the interfacial region. It revealed qualitatively different hydrating patterns formed at neutral hydroxylated and nonhydroxylated surfaces and suggested a preference for the dissociative adsorption of water. At negatively charged surfaces, however, the situation can be reversed by the electric field stabilizing a hydrogen bond network similar to that found at the neutral nonhydroxylated surface. Comparison with previously studied rutile ({alpha}-TiO{sub 2}) surfaces provided insight into the differences between the hydration of these two metal oxides, and an important role was ascribed to their different lattice parameters. A link to macroscopic properties was provided by the revised MUSIC surface protonation model. Explicit use of the Sn-O bond lengths based on ab initio calculations and H-bond configurations as inputs led to the prediction of a pH of zero net-proton induced surface charge (pH{sub pzc}) that agrees very well with those determined experimentally (about 4.4 at 298 K).

  16. Electric double layer at metal oxide surfaces:static properties of the cassiterite-water interface.

    SciTech Connect (OSTI)

    Vlcek, L.; Zhang, Z.; Machesky, M .L.; Fenter, P.; Rosenqvist, J.; Wesolowski, D. J.; Anovitz, L. M.; Predota, M.; Cummings, P. T.; Vanderbilt Univ.; ORNL; Univ. of South Bohimia; Illinois State Water Survey

    2007-03-24

    The structure of water at the (110) surface of cassiterite ({alpha}-SnO{sub 2}) at ambient conditions was studied by means of molecular dynamics simulations and X-ray crystal truncation rod experiments and interpreted with the help of the revised MUSIC model of surface protonation. The interactions of the metal oxide in the simulations were described by a recently developed classical force field based on the SPC/E model of water. Two extreme cases of completely hydroxylated and nonhydroxylated surfaces were considered along with a mixed surface with 50% dissociation. To study the dependence of the surface properties on pH, neutral and negatively charged variants of the surfaces were constructed. Axial and lateral density distributions of water for different types of surfaces were compared to each other and to experimental axial density distributions found by X-ray experiments. Although significant differences were found between the structures of the studied interfaces, the axial distances between Sn and O atoms are very similar and therefore could not be clearly distinguished by the diffraction technique. The explanation of structures observed in the density distributions was provided by a detailed analysis of hydrogen bonding in the interfacial region. It revealed qualitatively different hydrating patterns formed at neutral hydroxylated and nonhydroxylated surfaces and suggested a preference for the dissociative adsorption of water. At negatively charged surfaces, however, the situation can be reversed by the electric field stabilizing a hydrogen bond network similar to that found at the neutral nonhydroxylated surface. Comparison with previously studied rutile ({alpha}-TiO{sub 2}) surfaces provided insight into the differences between the hydration of these two metal oxides, and an important role was ascribed to their different lattice parameters. A link to macroscopic properties was provided by the revised MUSIC surface protonation model. Explicit use of the Sn-O bond lengths based on ab initio calculations and H-bond configurations as inputs led to the prediction of a pH of zero net-proton induced surface charge (pH{sub pzc}) that agrees very well with those determined experimentally (about 4.4 at 298 K).

  17. Rapid low-temperature processing of metal-oxide thin film transistors with combined far ultraviolet and thermal annealing

    SciTech Connect (OSTI)

    Leppniemi, J. Ojanper, K.; Kololuoma, T.; Huttunen, O.-H.; Majumdar, H.; Alastalo, A.; Dahl, J.; Tuominen, M.; Laukkanen, P.

    2014-09-15

    We propose a combined far ultraviolet (FUV) and thermal annealing method of metal-nitrate-based precursor solutions that allows efficient conversion of the precursor to metal-oxide semiconductor (indium zinc oxide, IZO, and indium oxide, In{sub 2}O{sub 3}) both at low-temperature and in short processing time. The combined annealing method enables a reduction of more than 100?C in annealing temperature when compared to thermally annealed reference thin-film transistor (TFT) devices of similar performance. Amorphous IZO films annealed at 250?C with FUV for 5?min yield enhancement-mode TFTs with saturation mobility of ?1?cm{sup 2}/(Vs). Amorphous In{sub 2}O{sub 3} films annealed for 15?min with FUV at temperatures of 180?C and 200?C yield TFTs with low-hysteresis and saturation mobility of 3.2?cm{sup 2}/(Vs) and 7.5?cm{sup 2}/(Vs), respectively. The precursor condensation process is clarified with x-ray photoelectron spectroscopy measurements. Introducing the FUV irradiation at 160?nm expedites the condensation process via in situ hydroxyl radical generation that results in the rapid formation of a continuous metal-oxygen-metal structure in the film. The results of this paper are relevant in order to upscale printed electronics fabrication to production-scale roll-to-roll environments.

  18. Probing the structural dependency of photoinduced properties of colloidal quantum dots using metal-oxide photo-active substrates

    SciTech Connect (OSTI)

    Patty, Kira; Campbell, Quinn; Hamilton, Nathan; West, Robert G.; Sadeghi, Seyed M.; Mao, Chuanbin

    2014-09-21

    We used photoactive substrates consisting of about 1 nm coating of a metal oxide on glass substrates to investigate the impact of the structures of colloidal quantum dots on their photophysical and photochemical properties. We showed during irradiation these substrates can interact uniquely with such quantum dots, inducing distinct forms of photo-induced processes when they have different cores, shells, or ligands. In particular, our results showed that for certain types of core-shell quantum dot structures an ultrathin layer of a metal oxide can reduce suppression of quantum efficiency of the quantum dots happening when they undergo extensive photo-oxidation. This suggests the possibility of shrinking the sizes of quantum dots without significant enhancement of their non-radiative decay rates. We show that such quantum dots are not influenced significantly by Coulomb blockade or photoionization, while those without a shell can undergo a large amount of photo-induced fluorescence enhancement via such blockade when they are in touch with the metal oxide.

  19. Metallization of electronic insulators

    DOE Patents [OSTI]

    Gottesfeld, Shimshon (Los Alamos, NM); Uribe, Francisco A. (Los Alamos, NM)

    1994-01-01

    An electroplated element is formed to include an insulating substrate, a conducting polymer polymerized in situ on the substrate, and a metal layer deposited on the conducting polymer. In one application a circuit board is formed by polymerizing pyrrole on an epoxy-fiberglass substrate in a single step process and then electrodepositing a metal over the resulting polypyrrole polymer. No chemical deposition of the metal is required prior to electroplating and the resulting layer of substrate-polymer-metal has excellent adhesion characteristics. The metal deposition is surprisingly smooth and uniform over the relatively high resistance film of polypyrrole. A continuous manufacturing process is obtained by filtering the solution between successive substrates to remove polymer formed in the solution, by maintaining the solution oxidizing potential within selected limits, and by adding a strong oxidant, such as KMnO.sub.4 at periodic intervals to maintain a low sheet resistivity in the resulting conducting polymer film.

  20. Tuning the Metal-Adsorbate Chemical Bond through the Ligand Effect...

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

    design and control the activities of transition metal catalysts, which are scarce in nature and thus expensive, has been of great importance to the development of economical...

  1. Ultraviolet GaN photodetectors on Si via oxide buffer heterostructures with integrated short period oxide-based distributed Bragg reflectors and leakage suppressing metal-oxide-semiconductor contacts

    SciTech Connect (OSTI)

    Szyszka, A. E-mail: adam.szyszka@pwr.wroc.pl; Haeberlen, M.; Storck, P.; Thapa, S. B.; Schroeder, T.

    2014-08-28

    Based on a novel double step oxide buffer heterostructure approach for GaN integration on Si, we present an optimized Metal-Semiconductor-Metal (MSM)-based Ultraviolet (UV) GaN photodetector system with integrated short-period (oxide/Si) Distributed Bragg Reflector (DBR) and leakage suppressing Metal-Oxide-Semiconductor (MOS) electrode contacts. In terms of structural properties, it is demonstrated by in-situ reflection high energy electron diffraction and transmission electron microscopy-energy dispersive x-ray studies that the DBR heterostructure layers grow with high thickness homogeneity and sharp interface structures sufficient for UV applications; only minor Si diffusion into the Y{sub 2}O{sub 3} films is detected under the applied thermal growth budget. As revealed by comparative high resolution x-ray diffraction studies on GaN/oxide buffer/Si systems with and without DBR systems, the final GaN layer structure quality is not significantly influenced by the growth of the integrated DBR heterostructure. In terms of optoelectronic properties, it is demonstrated thatwith respect to the basic GaN/oxide/Si system without DBRthe insertion of (a) the DBR heterostructures and (b) dark current suppressing MOS contacts enhances the photoresponsivity below the GaN band-gap related UV cut-off energy by almost up to two orders of magnitude. Given the in-situ oxide passivation capability of grown GaN surfaces and the one order of magnitude lower number of superlattice layers in case of higher refractive index contrast (oxide/Si) systems with respect to classical III-N DBR superlattices, virtual GaN substrates on Si via functional oxide buffer systems are thus a promising robust approach for future GaN-based UV detector technologies.

  2. Double-sided reel-to-reel metal-organic chemical vapor deposition...

    Office of Scientific and Technical Information (OSTI)

    HIGH-TC SUPERCONDUCTORS; LANTHANUM COMPOUNDS; ORGANOMETALLIC COMPOUNDS; SCANNING ELECTRON MICROSCOPY; THIN FILMS; X-RAY DIFFRACTION; YTTRIUM OXIDES Word Cloud More Like This ...

  3. Comprehensive study and design of scaled metal/high-k/Ge gate stacks with ultrathin aluminum oxide interlayers

    SciTech Connect (OSTI)

    Asahara, Ryohei; Hideshima, Iori; Oka, Hiroshi; Minoura, Yuya; Hosoi, Takuji Shimura, Takayoshi; Watanabe, Heiji; Ogawa, Shingo; Yoshigoe, Akitaka; Teraoka, Yuden

    2015-06-08

    Advanced metal/high-k/Ge gate stacks with a sub-nm equivalent oxide thickness (EOT) and improved interface properties were demonstrated by controlling interface reactions using ultrathin aluminum oxide (AlO{sub x}) interlayers. A step-by-step in situ procedure by deposition of AlO{sub x} and hafnium oxide (HfO{sub x}) layers on Ge and subsequent plasma oxidation was conducted to fabricate Pt/HfO{sub 2}/AlO{sub x}/GeO{sub x}/Ge stacked structures. Comprehensive study by means of physical and electrical characterizations revealed distinct impacts of AlO{sub x} interlayers, plasma oxidation, and metal electrodes serving as capping layers on EOT scaling, improved interface quality, and thermal stability of the stacks. Aggressive EOT scaling down to 0.56 nm and very low interface state density of 2.4 × 10{sup 11 }cm{sup −2}eV{sup −1} with a sub-nm EOT and sufficient thermal stability were achieved by systematic process optimization.

  4. Investigation of Some Transparent Metal Oxides as Damp Heat Protective Coating for CIGS Solar Cells: Preprint

    SciTech Connect (OSTI)

    Pern, F. J.; Yan, F.; Zaaunbrecher, B.; To, B.; Perkins, J.; Noufi, R.

    2012-10-01

    We investigated the protective effectiveness of some transparent metal oxides (TMO) on CIGS solar cell coupons against damp heat (DH) exposure at 85oC and 85% relative humidity (RH). Sputter-deposited bilayer ZnO (BZO) with up to 0.5-um Al-doped ZnO (AZO) layer and 0.2-um bilayer InZnO were used as 'inherent' part of device structure on CdS/CIGS/Mo/SLG. Sputter-deposited 0.2-um ZnSnO and atomic layer deposited (ALD) 0.1-um Al2O3 were used as overcoat on typical BZO/CdS/CIGS/Mo/SLG solar cells. The results were all negative -- all TMO-coated CIGS cells exhibited substantial degradation in DH. Combining the optical photographs, PL and EL imaging, SEM surface micro-morphology, coupled with XRD, I-V and QE measurements, the causes of the device degradations are attributed to hydrolytic corrosion, flaking, micro-cracking, and delamination induced by the DH moisture. Mechanical stress and decrease in crystallinity (grain size effect) could be additional degrading factors for thicker AZO grown on CdS/CIGS.

  5. Degradation of solid oxide fuel cell metallic interconnects in fuels containing sulfur

    SciTech Connect (OSTI)

    Ziomek-Moroz, M.; Hawk, Jeffrey A.

    2005-01-01

    Hydrogen is the main fuel for all types of fuel cells except direct methanol fuel cells. Hydrogen can be generated from all manner of fossil fuels, including coal, natural gas, diesel, gasoline, other hydrocarbons, and oxygenates (e.g., methanol, ethanol, butanol, etc.). Impurities in the fuel can cause significant performance problems and sulfur, in particular, can decrease the cell performance of fuel cells, including solid oxide fuel cells (SOFC). In the SOFC, the high (800-1000C) operating temperature yields advantages (e.g., internal fuel reforming) and disadvantages (e.g., material selection and degradation problems). Significant progress in reducing the operating temperature of the SOFC from ~1000 C to ~750 C may allow less expensive metallic materials to be used for interconnects and as balance of plant (BOP) materials. This paper provides insight on the material performance of nickel, ferritic steels, and nickel-based alloys in fuels containing sulfur, primarily in the form of H2S, and seeks to quantify the extent of possible degradation due to sulfur in the gas stream.

  6. Electrodeposited porous metal oxide films with interconnected nanoparticles applied as anode of lithium ion battery

    SciTech Connect (OSTI)

    Xiao, Anguo Zhou, Shibiao; Zuo, Chenggang; Zhuan, Yongbing; Ding, Xiang

    2014-12-15

    Highlights: Highly porous NiO film is prepared by a co-electrodeposition method. Porous NiO film is composed of interconnected nanoparticles. Porous structure is favorable for fast ion/electron transfer. Porous NiO film shows good lithium ion storage properties. - Abstract: Controllable synthesis of porous metal oxide films is highly desirable for high-performance electrochemical devices. In this work, a highly porous NiO film composed of interconnected nanoparticles is prepared by a simple co-electrodeposition method. The nanoparticles in the NiO film have a size ranging from 30 to 100 nm and construct large-quantity pores of 20120 nm. As an anode material for lithium ion batteries, the highly porous NiO film electrode delivers a high discharge capacity of 700 mA h g{sup ?1} at 0.2 C, as well as good high-rate performance. After 100 cycles at 0.2 C, a specific capacitance of 517 mA h g{sup ?1} is attained. The good electrochemical performance is attributed to the interconnected porous structure, which facilitates the diffusion of ion and electron, and provides large reaction surface area leading to improved performance.

  7. Close-To-Practice Assessment Of Meat Freshness With Metal Oxide Sensor Microarray Electronic Nose

    SciTech Connect (OSTI)

    Musatov, V. Yu.; Sysoev, V. V.; Sommer, M.; Kiselev, I.

    2009-05-23

    In this report we estimate the ability of KAMINA e-nose, based on a metal oxide sensor (MOS) microarray and Linear Discriminant Analysis (LDA) pattern recognition, to evaluate meat freshness. The received results show that, 1) one or two exposures of standard meat samples to the e-nose are enough for the instrument to recognize the fresh meat prepared by the same supplier with 100% probability; 2) the meat samples of two kinds, stored at 4 deg. C and 25 deg. C, are mutually recognized at early stages of decay with the help of the LDA model built independently under the e-nose training to each kind of meat; 3) the 3-4 training cycles of exposure to meat from different suppliers are necessary for the e-nose to build a reliable LDA model accounting for the supplier factor. This study approves that the MOS e-nose is ready to be currently utilised in food industry for evaluation of product freshness. The e-nose performance is characterized by low training cost, a confident recognition power of various product decay conditions and easy adjustment to changing conditions.

  8. THE RADIAL METALLICITY GRADIENTS IN THE MILKY WAY THICK DISK AS FOSSIL SIGNATURES OF A PRIMORDIAL CHEMICAL DISTRIBUTION

    SciTech Connect (OSTI)

    Curir, A.; Serra, A. L.; Spagna, A.; Lattanzi, M. G.; Re Fiorentin, P.; Diaferio, A.

    2014-04-01

    In this Letter we examine the evolution of the radial metallicity gradient induced by secular processes, in the disk of an N-body Milky Way-like galaxy. We assign a [Fe/H] value to each particle of the simulation according to an initial, cosmologically motivated, radial chemical distribution and let the disk dynamically evolve for ∼6 Gyr. This direct approach allows us to take into account only the effects of dynamical evolution and to gauge how and to what extent they affect the initial chemical conditions. The initial [Fe/H] distribution increases with R in the inner disk up to R ≈ 10 kpc and decreases for larger R. We find that the initial chemical profile does not undergo major transformations after ∼6 Gyr of dynamical evolution. The final radial chemical gradients predicted by the model in the solar neighborhood are positive and of the same order as those recently observed in the Milky Way thick disk. We conclude that (1) the spatial chemical imprint at the time of disk formation is not washed out by secular dynamical processes and (2) the observed radial gradient may be the dynamical relic of a thick disk originated from a stellar population showing a positive chemical radial gradient in the inner regions.

  9. Fluorine compounds for doping conductive oxide thin films

    DOE Patents [OSTI]

    Gessert, Tim; Li, Xiaonan; Barnes, Teresa M; Torres, Jr., Robert; Wyse, Carrie L

    2013-04-23

    Methods of forming a conductive fluorine-doped metal oxide layer on a substrate by chemical vapor deposition are described. The methods may include heating the substrate in a processing chamber, and introducing a metal-containing precursor and a fluorine-containing precursor to the processing chamber. The methods may also include adding an oxygen-containing precursor to the processing chamber. The precursors are reacted to deposit the fluorine-doped metal oxide layer on the substrate. Methods may also include forming the conductive fluorine-doped metal oxide layer by plasma-assisted chemical vapor deposition. These methods may include providing the substrate in a processing chamber, and introducing a metal-containing precursor, and a fluorine-containing precursor to the processing chamber. A plasma may be formed that includes species from the metal-containing precursor and the fluorine-containing precursor. The species may react to deposit the fluorine-doped metal oxide layer on the substrate.

  10. Comparative electron paramagnetic resonance investigation of reduced graphene oxide and carbon nanotubes with different chemical functionalities for quantum dot attachment

    SciTech Connect (OSTI)

    Pham, Chuyen V.; Krueger, Michael E-mail: emre.erdem@physchem.uni-freiburg.de; Eck, Michael; Weber, Stefan; Erdem, Emre E-mail: emre.erdem@physchem.uni-freiburg.de

    2014-03-31

    Electron paramagnetic resonance (EPR) spectroscopy has been applied to different chemically treated reduced graphene oxide (rGO) and multiwalled carbon nanotubes (CNTs). A narrow EPR signal is visible at g?=?2.0029 in both GO and CNT-Oxide from carbon-related dangling bonds. EPR signals became broader and of lower intensity after oxygen-containing functionalities were reduced and partially transformed into thiol groups to obtain thiol-functionalized reduced GO (TrGO) and thiol-functionalized CNT (CNT-SH), respectively. Additionally, EPR investigation of CdSe quantum dot-TrGO hybrid material reveals complete quenching of the TrGO EPR signal due to direct chemical attachment and electronic coupling. Our work confirms that EPR is a suitable tool to detect spin density changes in different functionalized nanocarbon materials and can contribute to improved understanding of electronic coupling effects in nanocarbon-nanoparticle hybrid nano-composites promising for various electronic and optoelectronic applications.

  11. Multilayered thermal insulation formed of zirconia bonded layers of zirconia fibers and metal oxide fibers and method for making same

    DOE Patents [OSTI]

    Wrenn, Jr., George E. (Clinton, TN); Holcombe, Jr., Cressie E. (Farragut, TN)

    1988-01-01

    A multilayered thermal insulating composite is formed of a first layer of zirconia-bonded zirconia fibers for utilization near the hot phase or surface of a furnace or the like. A second layer of zirconia-bonded metal oxide fibers is attached to the zirconia fiber layer by a transition layer formed of intermingled zirconia fibers and metal oxide fibers. The thermal insulation is fabricated by vacuum molding with the layers being sequentially applied from aqueous solutions containing the fibers to a configured mandrel. A portion of the solution containing the fibers forming the first layer is intermixed with the solution containing the fibers of the second layer for forming the layer of mixed fibers. The two layers of fibers joined together by the transition layer are saturated with a solution of zirconium oxynitrate which provides a zirconia matrix for the composite when the fibers are sintered together at their nexi.

  12. Multilayered thermal insulation formed of zirconia bonded layers of zirconia fibers and metal oxide fibers and method for making same

    DOE Patents [OSTI]

    Wrenn, G.E. Jr.; Holcombe, C.E. Jr.

    1988-09-13

    A multilayered thermal insulating composite is formed of a first layer of zirconia-bonded zirconia fibers for utilization near the hot phase or surface of a furnace or the like. A second layer of zirconia-bonded metal oxide fibers is attached to the zirconia fiber layer by a transition layer formed of intermingled zirconia fibers and metal oxide fibers. The thermal insulation is fabricated by vacuum molding with the layers being sequentially applied from aqueous solutions containing the fibers to a configured mandrel. A portion of the solution containing the fibers forming the first layer is intermixed with the solution containing the fibers of the second layer for forming the layer of mixed fibers. The two layers of fibers joined together by the transition layer are saturated with a solution of zirconium oxynitrate which provides a zirconia matrix for the composite when the fibers are sintered together at their nexi.

  13. Geochemical Impacts of Carbon Dioxide, Brine, Trace Metal and Organic Leakage into an Unconfined, Oxidizing Limestone Aquifer

    Office of Scientific and Technical Information (OSTI)

    3 (2014) 4684 - 4707 Energy Procedia GHGT-12 Geochemical impacts of carbon dioxide, brine, trace metal and organic leakage into an unconfined, oxidizing limestone aquifer Diana H. Bacon3'* *, Zhenxue Daib, Liange Zhengc "Pacific Northwest National Laboratory, Richland, Washington, USA bLos Alamos National Laboratory, Los Alamos, New Mexico, USA cLawrence Berkeley National Laboratory, Berkeley, California, USA Abstract An important risk at CO2 storage sites is the potential for groundwater

  14. High-Temperature Zirconia Oxygen Sensor with Sealed Metal/Metal...

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

    High-Temperature Zirconia Oxygen Sensor with Sealed MetalMetal Oxide Internal Reference High-Temperature Zirconia Oxygen Sensor with Sealed MetalMetal Oxide Internal Reference ...

  15. Time-Resolved XAFS Spectroscopic Studies of B-H and N-H Oxidative Addition to Transition Metal Catalysts Relevant to Hydrogen Storage

    SciTech Connect (OSTI)

    Bitterwolf, Thomas E.

    2014-12-09

    Successful catalytic dehydrogenation of aminoborane, H3NBH3, prompted questions as to the potential role of N-H oxidative addition in the mechanisms of these processes. N-H oxidative addition reactions are rare, and in all cases appear to involve initial dative bonding to the metal by the amine lone pairs followed by transfer of a proton to the basic metal. Aminoborane and its trimethylborane derivative block this mechanism and, in principle, should permit authentic N-H oxidative attrition to occur. Extensive experimental work failed to confirm this hypothesis. In all cases either B-H complexation or oxidative addition of solvent C-H bonds dominate the chemistry.

  16. Geochemical, metagenomic and metaproteomic insights into trace metal utilization by methane-oxidizing microbial consortia in sulphidic marine sediments

    SciTech Connect (OSTI)

    Glass, DR. Jennifer; Yu, DR. Hang; Steele, Joshua; Dawson, Katherine; Sun, S; Chourey, Karuna; Pan, Chongle; Hettich, Robert {Bob} L; Orphan, V

    2013-01-01

    Microbes have obligate requirements for trace metals in metalloenzymes that catalyse important biogeochemical reactions. In anoxic methane- and sulphiderich environments, microbes may have unique adaptations for metal acquisition and utilization because of decreased bioavailability as a result of metal sulphide precipitation. However, micronutrient cycling is largely unexplored in cold ( 10 C) and sulphidic (> 1 mM H2S) deep-sea methane seep ecosystems. We investigated trace metal geochemistry and microbial metal utilization in methane seeps offshore Oregon and California, USA, and report dissolved concentrations of nickel (0.5 270 nM), cobalt (0.5 6 nM), molybdenum (10 5600 nM) and tungsten (0.3 8 nM) in Hydrate Ridge sediment porewaters. Despite low levels of cobalt and tungsten, metagenomic and metaproteomic data suggest that microbial consortia catalysing anaerobic oxidation of methane (AOM) utilize both scarce micronutrients in addition to nickel and molybdenum. Genetic machinery for cobalt-containing vitamin B12 biosynthesis was present in both anaerobic methanotrophic archaea (ANME) and sulphate-reducing bacteria. Proteins affiliated with the tungsten-containing form of formylmethanofuran dehydrogenase were expressed in ANME from two seep ecosystems, the first evidence for expression of a tungstoenzyme in psychrophilic microorganisms. Overall, our data suggest that AOM consortia use specialized biochemical strategies to overcome the challenges of metal availability in sulphidic environments.

  17. Solid polymer electrolyte composite membrane comprising a porous support and a solid polymer electrolyte including a dispersed reduced noble metal or noble metal oxide

    DOE Patents [OSTI]

    Liu, Han; Mittelsteadt, Cortney K; Norman, Timothy J; Griffith, Arthur E; LaConti, Anthony B

    2015-02-24

    A solid polymer electrolyte composite membrane and method of manufacturing the same. According to one embodiment, the composite membrane comprises a thin, rigid, dimensionally-stable, non-electrically-conducting support, the support having a plurality of cylindrical, straight-through pores extending perpendicularly between opposing top and bottom surfaces of the support. The pores are unevenly distributed, with some or no pores located along the periphery and more pores located centrally. The pores are completely filled with a solid polymer electrolyte, the solid polymer electrolyte including a dispersed reduced noble metal or noble metal oxide. The solid polymer electrolyte may also be deposited over the top and/or bottom surfaces of the support.

  18. Synthesis of reduced graphene oxide (rGO) via chemical reduction

    SciTech Connect (OSTI)

    Thakur, Alpana Rangra, V. S.; Kumar, Sunil

    2015-05-15

    Natural flake Graphite was used as the starting material for the graphene synthesis. In the first step flake graphite was treated with oxidizing agents under vigorous conditions to obtain graphite oxide. Layered graphite oxide decorated with oxygen has large inter-layer distance leading easy exfoliation into single sheets by ultrasonication giving graphene oxide. In the last step exfoliated graphene oxide sheets were reduced slowly with the help of reducing agent to obtain fine powder which is labeled as reduced graphene oxide (rGO). This rGO was further characterized by X-Ray Diffraction (XRD), Scanning Tunneling Microscopy (SEM) and Fourier Transform Infrared Spectroscopy (FTIR), Raman Spectroscopy techniques. XRD pattern shows peaks corresponding to (002) graphitic lattice planes indicating the formation of network of sp{sup 2} like carbon structure. SEM images show the ultrathin, wrinkled, paper-like morphology of graphene sheets. IR study shows that the graphite has been oxidized to graphite oxide with the presence of various absorption bands confirming the presence of oxidizing groups. The FTIR spectrum of rGO shows no sharp peaks confirming the efficient reduction of rGO. The Raman spectrum shows disorder in the graphene sheets.

  19. Schottky barrier height reduction for holes by Fermi level depinning using metal/nickel oxide/silicon contacts

    SciTech Connect (OSTI)

    Islam, Raisul, E-mail: raisul@stanford.edu; Shine, Gautam; Saraswat, Krishna C. [Department of Electrical Engineering, Stanford University, Stanford, California 94305 (United States)

    2014-11-03

    We report the experimental demonstration of Fermi level depinning using nickel oxide (NiO) as the insulator material in metal-insulator-semiconductor (M-I-S) contacts. Using this contact, we show less than 0.1?eV barrier height for holes in platinum/NiO/silicon (Pt/NiO/p-Si) contact. Overall, the pinning factor was improved from 0.08 (metal/Si) to 0.26 (metal/NiO/Si). The experimental results show good agreement with that obtained from theoretical calculation. NiO offers high conduction band offset and low valence band offset with Si. By reducing Schottky barrier height, this contact can be used as a carrier selective contact allowing hole transport but blocking electron transport, which is important for high efficiency in photonic applications such as photovoltaics and optical detectors.

  20. Kinetics and mechanism of the outer-sphere oxidation of metal carbonyl anions with coordination complexes containing chloride

    SciTech Connect (OSTI)

    Lai, C.K.; Corraine, M.S.; Atwood, J.D.

    1992-02-01

    Reactions of metal carbonyl anions, CpFe(CO){sub 2}{sup -}, Re(CO){sub 5}{sup -}, Mn(CO){sub 5}{sup -}, CpMo(CO){sub 3}{sup -}, CpCr(CO){sub 3}{sup -}, and Co(CO){sub 4}{sup -}, with CrCl{sub 3}{center_dot}3S (S = THF, CH{sub 3}CN) and reactions of Mn(CO){sub 5}{sup -} and Re(CO){sub 5}{sup -} with [Co(o-phen){sub 2}Cl{sub 2}]CIO{sub 4} are reported. Net oxidation/reduction chemistry is observed with formation of metal carbonyl dimers and CrCl{sub 2}{center_dot}4S or Co(o-phen){sub 2}Cl{sub 2}. Metal carbonyl halides are also observed and shown to arise from a secondary reaction of the metal carbonyl dimer with the oxidant. The products and rates are most consistent with outer-sphere electron-transfer reactions. Reactions of CpFe(CO){sub 2}{sup -} with CpFe(CO){sub 2}X (X = Cl, Br, I) are also reported. The rate dependence on X is very small and in the order expected for nucleophilic substitution. 21 refs. 1 fig., 4 tabs.

  1. New sol-gel synthetic route to transition and main-group metal oxide aerogels using inorganic salt precursors

    SciTech Connect (OSTI)

    Gash, A E; Tillotson, T M; Satcher Jr, J H; Hrubesh, L W; Simpson, R L

    2000-09-12

    We have developed a new sol-gel route to synthesize several transition and main-group metal oxide aerogels. The approach is straightforward, inexpensive, versatile, and it produces monolithic microporous materials with high surface areas. Specifically, we report the use of epoxides as gelation agents for the sol-gel synthesis of chromia aerogels and xerogels from simple Cr(III) inorganic salts. The dependence of both gel formation and its rate was studied by varying the solvent used, the Cr(III) precursor salt, the epoxide/Cr(III) ratio, as well as the type of epoxide employed. All of these variables were shown to affect the rate of gel formation and provide a convenient control of this parameter. Dried chromia aerogels were characterized by high-resolution transmission electron microscopy (HRTEM) and nitrogen adsorption/desorption analyses, results of which will be presented. Our studies have shown that rigid monolithic gels can be prepared from many different metal ions salts, provided the formal oxidation state of the metal ion is greater than or equal to +3. Conversely, when di-valent transition metal salts are used precipitated solids are the products.

  2. Validation of MCNP6.1 for Criticality Safety of Pu-Metal, -Solution, and -Oxide Systems

    SciTech Connect (OSTI)

    Kiedrowski, Brian C.; Conlin, Jeremy Lloyd; Favorite, Jeffrey A.; Kahler, III, Albert C.; Kersting, Alyssa R.; Parsons, Donald K.; Walker, Jessie L.

    2014-05-13

    Guidance is offered to the Los Alamos National Laboratory Nuclear Criticality Safety division towards developing an Upper Subcritical Limit (USL) for MCNP6.1 calculations with ENDF/B-VII.1 nuclear data for three classes of problems: Pu-metal, -solution, and -oxide systems. A benchmark suite containing 1,086 benchmarks is prepared, and a sensitivity/uncertainty (S/U) method with a generalized linear least squares (GLLS) data adjustment is used to reject outliers, bringing the total to 959 usable benchmarks. For each class of problem, S/U methods are used to select relevant experimental benchmarks, and the calculational margin is computed using extreme value theory. A portion of the margin of sub criticality is defined considering both a detection limit for errors in codes and data and uncertainty/variability in the nuclear data library. The latter employs S/U methods with a GLLS data adjustment to find representative nuclear data covariances constrained by integral experiments, which are then used to compute uncertainties in keff from nuclear data. The USLs for the classes of problems are as follows: Pu metal, 0.980; Pu solutions, 0.973; dry Pu oxides, 0.978; dilute Pu oxide-water mixes, 0.970; and intermediate-spectrum Pu oxide-water mixes, 0.953.

  3. Method of depositing an electrically conductive oxide film on a textured metallic substrate and articles formed therefrom

    DOE Patents [OSTI]

    Christen, David K. (Oak Ridge, TN); He, Qing (Bloomington, MN)

    2001-01-01

    The present invention provides a biaxially textured laminate article having a polycrystalline biaxially textured metallic substrate with an electrically conductive oxide layer epitaxially deposited thereon and methods for producing same. In one embodiment a biaxially texture Ni substrate has a layer of LaNiO.sub.3 deposited thereon. An initial layer of electrically conductive oxide buffer is epitaxially deposited using a sputtering technique using a sputtering gas which is an inert or forming gas. A subsequent layer of an electrically conductive oxide layer is then epitaxially deposited onto the initial layer using a sputtering gas comprising oxygen. The present invention will enable the formation of biaxially textured devices which include HTS wires and interconnects, large area or long length ferromagnetic and/or ferroelectric memory devices, large area or long length, flexible light emitting semiconductors, ferroelectric tapes, and electrodes.

  4. Method of depositing an electrically conductive oxide film on a textured metallic substrate and articles formed therefrom

    DOE Patents [OSTI]

    Christen, David K. (Oak Ridge, TN); He, Qing (Bloomington, MN)

    2003-04-29

    The present invention provides a biaxially textured laminate article having a polycrystalline biaxially textured metallic substrate with an electrically conductive oxide layer epitaxially deposited thereon and methods for producing same. In one embodiment a biaxially texture Ni substrate has a layer of LaNiO.sub.3 deposited thereon. An initial layer of electrically conductive oxide buffer is epitaxially deposited using a sputtering technique using a sputtering gas which is an inert or forming gas. A subsequent layer of an electrically conductive oxide layer is then epitaxially deposited onto the initial layer using a sputtering gas comprising oxygen. The present invention will enable the formation of biaxially textured devices which include HTS wires and interconnects, large area or long length ferromagnetic and/or ferroelectric memory devices, large area or long length, flexible light emitting semiconductors, ferroelectric tapes, and electrodes.

  5. Executive Summaries for the Hydrogen Storage Materials Center of Excellence - Chemical Hydrogen Storage CoE, Hydrogen Sorption CoE, and Metal Hydride CoE

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

    Executive Summaries for the Hydrogen Storage Materials Centers of Excellence Chemical Hydrogen Storage CoE, Hydrogen Sorption CoE, and Metal Hydride CoE Period of Performance: 2005-2010 Fuel Cell Technologies Program Office of Energy Efficiency and Renewable Energy U. S. Department of Energy April 2012 2 3 Primary Authors: Chemical Hydrogen Storage (CHSCoE): Kevin Ott, Los Alamos National Laboratory Hydrogen Sorption (HSCoE): Lin Simpson, National Renewable Energy Laboratory Metal Hydride

  6. Chemically bonded phosphate ceramics of trivalent oxides of iron and manganese

    DOE Patents [OSTI]

    Wagh, Arun S. (Orland Park, IL); Jeong, Seung-Young (Westmont, IL)

    2002-01-01

    A new method for combining elemental iron and other metals to form an inexpensive ceramic to stabilize arsenic, alkaline red mud wastes, swarfs, and other iron or metal-based additives, to create products and waste forms which can be poured or dye cast.

  7. Photocatalytic and chemical oxidation of organic compounds in supercritical carbon dioxide. Progress report for FY97

    SciTech Connect (OSTI)

    Blake, D.M.; Bryant, D.L.; Reinsch, V.

    1997-09-30

    'The background for the project is briefly reviewed and the work done during the nine months since funding was received is documented. Work began in January, 1997. A post doctoral fellow joined the team in April. The major activities completed this fiscal year were: staffing the project, design of the experimental system, procurement of components, assembly of the system. preparation of the Safe Operating Procedure and ES and H compliance, pressure testing, establishing data collection and storage methodology, and catalyst preparation. Objective The objective of the project is to develop new chemistry for the removal of organic contaminants from supercritical carbon dioxide. This has application in processes used for continuous cleaning and extraction of parts and waste materials. A secondary objective is to increase the fundamental understanding of photocatalytic chemistry. Cleaning and extraction using supercritical carbon dioxide (scCO{sub 2}) can be applied to the solution of a wide range of environmental and pollution prevention problems in the DOE complex. Work is being done that explores scCO{sub 2} in applications ranging from cleaning contaminated soil to cleaning components constructed from plutonium. The rationale for use of scCO{sub 2} are based on the benign nature, availability and low cost, attractive solvent properties, and energy efficient separation of the extracted solute from the solvent by moderate temperature or pressure changes. To date, R and D has focussed on the methods and applications of the extraction steps of the process. Little has been done that addresses methods to polish the scCO{sub 2} for recycle in the cleaning or extraction operations. In many applications it will be desirable to reduce the level of contamination from that which would occur at steady state operation of a process. This proposal addresses chemistry to achieve that. This would be an alternative to removing a fraction of the contaminated scCO{sub 2} for disposal and using makeup scCO{sub 2}. A chemical polishing operation can reduce the release of CO{sub 2} from the process. It can also reduce the consumption of reagents that may be used in the process to enhance extraction and cleaning. A polishing operation will also reduce or avoid formation of an additional waste stream. Photocatalytic and other photochemical oxidation chemistry have not been investigated in scCO{sub 2}. The large base of information for these reactions in water, organic solvents, or air suggest that the chemistry will work in carbon dioxide. There are compelling reasons to believe that the properties of scCO{sub 2} should increase the performance of photocatalytic chemistry over that found in more conventional fluid phases.'

  8. Support shape effect in metal oxide catalysis: ceria nanoshapes supported vanadia catalysts for oxidative dehydrogenation of iso-butane

    SciTech Connect (OSTI)

    Wu, Zili; Schwartz, Viviane; Li, Meijun; Rondinone, Adam Justin; Overbury, Steven {Steve} H

    2012-01-01

    The activation energy of VOx/CeO2 catalysts in oxidative dehydrogenation of iso-butane was found dependent on the shape of ceria support: rods < octahedra, closely related to the surface oxygen vacancy formation energy and defects amount of the two ceria supports with different crystallographic surface planes.

  9. Doped palladium containing oxidation catalysts

    DOE Patents [OSTI]

    Mohajeri, Nahid

    2014-02-18

    A supported oxidation catalyst includes a support having a metal oxide or metal salt, and mixed metal particles thereon. The mixed metal particles include first particles including a palladium compound, and second particles including a precious metal group (PMG) metal or PMG metal compound, wherein the PMG metal is not palladium. The oxidation catalyst may also be used as a gas sensor.

  10. High Activity of Ce1-xNixO2-y for H2 Production through Ethanol Steam Reforming: Tuning Catalytic Performance through Metal-Oxide Interactions

    SciTech Connect (OSTI)

    G Zhou; L Barrio; S Agnoli; S Senanayake; J Evans; A Kubacka; M Estrella; J Hanson; A Martinez-Arias; et al.

    2011-12-31

    The importance of the oxide: Ce{sub 0.8}Ni{sub 0.2}O{sub 2-y} is an excellent catalyst for ethanol steam reforming. Metal-oxide interactions perturb the electronic properties of the small particles of metallic nickel present in the catalyst under the reaction conditions and thus suppress any methanation activity. The nickel embedded in ceria induces the formation of O vacancies, which facilitate cleavage of the OH bonds in ethanol and water.

  11. A 1 A laser driver in 0.35 {mu}m complementary metal oxide semiconductor technology for a pulsed time-of-flight laser rangefinder

    SciTech Connect (OSTI)

    Nissinen, Jan; Kostamovaara, Juha

    2009-10-15

    An integrated complementary metal oxide semiconductor (CMOS) current pulse generator is presented which achieves an ampere-scale peak current pulse with a rise time and pulse width of less than 1 and 2.5 ns (pulse width at half maximum), respectively. The generator is implemented in a 0.35 {mu}m CMOS process and consists of four parallel n-type metal oxide semiconductor transistors driven by a scaled buffer chain to achieve fast switching.

  12. Metal-free g-C{sub 3}N{sub 4} photocatalyst by sulfuric acid activation for selective aerobic oxidation of benzyl alcohol under visible light

    SciTech Connect (OSTI)

    Zhang, Ligang; Liu, Di; Guan, Jing; Chen, Xiufang; Guo, Xingcui; Zhao, Fuhua; Hou, Tonggang; Mu, Xindong

    2014-11-15

    Highlights: A novel visible-light-driven acid-modified g-C{sub 3}N{sub 4} was prepared. The texture, electronic and surface property were tuned by acid modification. Acid-modified g-C{sub 3}N{sub 4} shows much higher activity for photocatalytic activity. Acid sites on the surface of g-C{sub 3}N{sub 4} favor efficient charge separation. - Abstract: In this work, modification of graphitic carbon nitride photocatalyst with acid was accomplished with a facile method through reflux in different acidic substances. The g-C{sub 3}N{sub 4}-based material was found to be a metal-free photocatalyst useful for the selective oxidation of benzyl alcohol with dioxygen as the oxidant under visible light irradiation. Acid modification had a significant influence on the photocatalytic performance of g-C{sub 3}N{sub 4}. Among all acid tested, sulfuric acid-modified g-C{sub 3}N{sub 4} showed the highest catalytic activity and gave benzaldehyde in 23% yield for 4 h under visible light irradiation, which was about 2.5 times higher than that of g-C{sub 3}N{sub 4}. The acid modification effectively improved surface area, reduced structural size, enlarged band gap, enhanced surface chemical state, and facilitated photoinduced charge separation, contributing to the enhanced photocatalytic activity. It is hoped that our work can open promising prospects for the utilization of metal free g-C{sub 3}N{sub 4}-based semiconductor as visible-light photocatalyst for selective organic transformation.

  13. Oxide

    Energy Science and Technology Software Center (OSTI)

    2014-07-15

    Oxide is a modular framework for feature extraction and analysis of executable files. Oxide is useful in a variety of reverse engineering and categorization tasks relating to executable content.

  14. Effect of oxidant concentration, exposure time, and seed particles on secondary organic aerosol chemical composition and yield

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

    Lambe, A. T.; Chhabra, P. S.; Onasch, T. B.; Brune, W. H.; Hunter, J. F.; Kroll, J. H.; Cummings, M. J.; Brogan, J. F.; Parmar, Y.; Worsnop, D. R.; et al

    2015-03-18

    We performed a systematic intercomparison study of the chemistry and yields of secondary organic aerosol (SOA) generated from OH oxidation of a common set of gas-phase precursors in a Potential Aerosol Mass (PAM) continuous flow reactor and several environmental chambers. In the flow reactor, SOA precursors were oxidized using OH concentrations ranging from 2.0 × 108 to 2.2 × 1010 molec cm-3 over exposure times of 100 s. In the environmental chambers, precursors were oxidized using OH concentrations ranging from 2 × 106 to 2 × 107 molec cm-3 over exposure times of several hours. The OH concentration in themore » chamber experiments is close to that found in the atmosphere, but the integrated OH exposure in the flow reactor can simulate atmospheric exposure times of multiple days compared to chamber exposure times of only a day or so. In most cases, for a specific SOA type the most-oxidized chamber SOA and the least-oxidized flow reactor SOA have similar mass spectra, oxygen-to-carbon and hydrogen-to-carbon ratios, and carbon oxidation states at integrated OH exposures between approximately 1 × 1011 and 2 × 1011 molec cm-3 s, or about 1–2 days of equivalent atmospheric oxidation. This observation suggests that in the range of available OH exposure overlap for the flow reactor and chambers, SOA elemental composition as measured by an aerosol mass spectrometer is similar whether the precursor is exposed to low OH concentrations over long exposure times or high OH concentrations over short exposure times. This similarity in turn suggests that both in the flow reactor and in chambers, SOA chemical composition at low OH exposure is governed primarily by gas-phase OH oxidation of the precursors rather than heterogeneous oxidation of the condensed particles. In general, SOA yields measured in the flow reactor are lower than measured in chambers for the range of equivalent OH exposures that can be measured in both the flow reactor and chambers. The influence of sulfate seed particles on isoprene SOA yield measurements was examined in the flow reactor. The studies show that seed particles increase the yield of SOA produced in flow reactors by a factor of 3 to 5 and may also account in part for higher SOA yields obtained in the chambers, where seed particles are routinely used.« less

  15. Solid-state chemistry of molecular metal oxide clusters. Bis(triphenylphosphine)rhodium(I) carbonyl derivatives

    SciTech Connect (OSTI)

    Siedle, A.R.; Gleason, W.B.; Newmark, R.A.; Skarjune, R.P.; Lyon, P.A.; Markell, C.G. ); Hodgson, K.O.; Roe, A.L. )

    1990-05-02

    Hydronium salts of the Keggin-type XM{sub 12}O{sub 40} molecular metal oxide cluster anions SiW{sub 12}O{sub 40}{sup 4{minus}}, SiMo{sub 12}O{sub 40}{sup 4{minus}}, PW{sub 12}O{sub 40}{sup 3{minus}}, PMo{sub 12}O{sub 40}{sup 3{minus}}, PMo{sub 12}O{sub 40}{sup 4{minus}}, and PVMo{sub 11}O{sub 40}{sup 4{minus}} react with ((Ph{sub 3}P){sub 3}Rh(CO))(HC(SO{sub 2}CF{sub 3}){sub 2}) in CH{sub 3}CN{minus}C{sub 2}H{sub 5}OH to form (trans-(Ph{sub 3}P){sub 2}Rh(CO)(CH{sub 3}CN)){sub n}XM{sub 12}O{sub 40}. These salts lose CH{sub 3}CN on heating to provide ((Ph{sub 3}P){sub 2}Rh(CO)){sub n}XM{sub 12}O{sub 40}, which may also be obtained directly from ((Ph{sub 3}P){sub 3}Rh(CO))(HC(SO{sub 2}cF{sub 3}){sub 2}) in pure ethanol. These oxometalates have been characterized by ir, NMR, and x-ray absorption spectroscopy and are considered to contain isolated, lattice-stabilized (Ph{sub 3}P){sub 2}Rh(CO)-(CH{sub 3}CN){sup +} and (Ph{sub 3}P){sub 2}Rh(CO){sup +} cations, with the latter being a three-coordinate, 14-electron Rh(I) species. The activity and selectivity of these compounds as catalysts for olefin isomerization and hydroformylation are described. Reaction of ((Ph{sub 3}P){sub 3}Rh(CO))(HC(SO{sub 2}CF{sub 3}){sub 2}) with CH{sub 3}CN produces (trans-(Ph{sub 3}P){sub 2}Rh(CO)(CH{sub 3}CN))(HC(SO{sub 2}CF{sub 3}){sub 2}). The crystal structure of the triclinic compound is reported. 41 refs., 4 figs., 8 tabs.

  16. Geochemical Impacts of Carbon Dioxide, Brine, Trace Metal and Organic Leakage into an Unconfined, Oxidizing Limestone Aquifer

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

    Bacon, Diana H.; Dai, Zhenxue; Zheng, Liange

    2014-12-31

    An important risk at CO2 storage sites is the potential for groundwater quality impacts. As part of a system to assess the potential for these impacts a geochemical scaling function has been developed, based on a detailed reactive transport model of CO2 and brine leakage into an unconfined, oxidizing carbonate aquifer. Stochastic simulations varying a number of geochemical parameters were used to generate a response surface predicting the volume of aquifer that would be impacted with respect to regulated contaminants. The brine was assumed to contain several trace metals and organic contaminants. Aquifer pH and TDS were influenced by CO2more » leakage, while trace metal concentrations were most influenced by the brine concentrations rather than adsorption or desorption on calcite. Organic plume sizes were found to be strongly influenced by biodegradation.« less

  17. Methane and methanol oxidation in supercritical water: Chemical kinetics and hydrothermal flame studies

    SciTech Connect (OSTI)

    Steeper, R.R.

    1996-01-01

    Supercritical water oxidation (SCWO) is an emerging technology for the treatment of wastes in the presence of a large concentration of water at conditions above water`s thermodynamic critical point. A high-pressure, optically accessible reaction cell was constructed to investigate the oxidation of methane and methanol in this environment. Experiments were conducted to examine both flame and non-flame oxidation regimes. Optical access enabled the use of normal and shadowgraphy video systems for visualization, and Raman spectroscopy for in situ measurement of species concentrations. Flame experiments were performed by steadily injecting pure oxygen into supercritical mixtures of water and methane or methanol at 270 bar and at temperatures from 390 to 510{degrees}C. The experiments mapped conditions leading to the spontaneous ignition of diffusion flames in supercritical water. Above 470{degrees}C, flames spontaneously ignite in mixtures containing only 6 mole% methane or methanol. This data is relevant to the design and operation of commercial SCWO processes that may be susceptible to inadvertent flame formation. Non-flame oxidation kinetics experiments measured rates of methane oxidation in supercritical water at 270 bar and at temperatures from 390 to 442{degrees}C. The initial methane concentration was nominally 0.15 gmol/L, a level representative of commercial SCWO processes. The observed methane concentration histories were fit to a one-step reaction rate expression indicating a reaction order close to two for methane and zero for oxygen. Experiments were also conducted with varying water concentrations (0 to 8 gmol/L) while temperature and initial reactant concentrations were held constant. The rate of methane oxidation rises steadily with water concentration up to about 5 gmol/L and then abruptly falls off at higher concentrations.

  18. Metal organic chemical vapor deposition of 111-v compounds on silicon

    DOE Patents [OSTI]

    Vernon, Stanley M.

    1986-01-01

    Expitaxial composite comprising thin films of a Group III-V compound semiconductor such as gallium arsenide (GaAs) or gallium aluminum arsenide (GaAlAs) on single crystal silicon substrates are disclosed. Also disclosed is a process for manufacturing, by chemical deposition from the vapor phase, epitaxial composites as above described, and to semiconductor devices based on such epitaxial composites. The composites have particular utility for use in making light sensitive solid state solar cells.

  19. Integrated chemical/biological treatment of paint stripper mixed waste: Metals toxicity and separation

    SciTech Connect (OSTI)

    Vanderberg-Twary, L.; Grumbine, R.K.; Foreman, T.; Hanners, J.L.; Brainard, J.R.; Sauer, N.N.; Unkefer, P.J.

    1995-05-01

    The DOE complex has generated vast quantities of complex heterogeneous mixed wastes. Paint stripper waste (PSW) is a complex waste that arose from decontamination and decommissioning activities. It contains paint stripper, cheesecloth, cellulose-based paints with Pb and Cr, and suspect Pu. Los Alamos National Laboratory has 150--200 barrels of PSW and other national laboratories such as Rocky Flats Plant have many more barrels of heterogeneous waste. Few technologies exist that can treat this complex waste. Our approach to solving this problem is the integration of two established technologies: biodegradation and metals chelation.

  20. Fluorescence based chemical sensors for corrosion detection

    SciTech Connect (OSTI)

    Johnson, R.E.; Agarwala, V.S.

    1997-12-01

    Several fluorescent materials have been identified as possible corrosion sensing coatings. These are either redox or metal ion complex materials. The redox materials are nonfluorescent in the reduced state and become fluorescent upon oxidation. Incorporated into paint coatings, they provide an early warning of corrosive conditions at the metal or alloy surface. The metal ion complex materials only fluoresce when the organic compound complexes with metal ions such as those generated in corrosion reactions. Fluorescent materials have been incorporated into paint coatings and on metal surfaces for the detection of corrosion. Oxine reacts with aluminum oxide on corroded aluminum to give a fluorescence that can be photographed in UV light. Several other materials were found to have good fluorescence but cannot be reversibly oxidized or reduced at the present time. More work will be done with these compounds as well as with Schiff bases to develop new fluorescent chemical sensing materials for smart coating on alloy surfaces.

  1. Chemically durable nitrogen containing phosphate glasses useful for sealing to metals

    DOE Patents [OSTI]

    Day, Delbert E. (Rolla, MO); Wilder, Jr., James A. (Albuquerque, NM)

    1984-01-01

    The chemical durability of alkali phosphate glasses is improved by incorporation of up to 23 weight percent of nitrogen. A typical phosphate glass contains: 10 to 60 mole % of Li.sub.2 O, Na.sub.2 O or K.sub.2 O; 5-40 mole % of BaO or CAO; 0-1 to 10 mole % of Al.sub.2 O.sub.3 ; and 40-70 mole % of P.sub.2 O.sub.5. Nitrides, such as AlN, are the favored additives.

  2. Metal assisted chemical etching for high aspect ratio nanostructures: A review of characteristics and applications in photovoltaics

    SciTech Connect (OSTI)

    Li, XL

    2012-04-01

    Metal assisted chemical etching (MacEtch) is a recently developed anisotropic wet etching method that is capable of producing high aspect ratio semiconductor nanostructures from patterned metal film. In this review article, we highlight the characteristics of MacEtch of silicon (Si) including controllability of the produced sidewall roughness, the inherent high aspect ratio, the weak crystal orientation dependence, impurity doping and solution concentration dependent porosity, as well as the applicability of MacEtch to non-Si based semiconductor materials including III-V compound semiconductors. Also reviewed are applications of MacEtch produced high aspect ratio Si nanostructures in photovoltaics, where the p-n junction can be in the planar Si tray, core-shell, or axial geometry, with nanowire, micropillar, or hole arrays serving as light trapping or carrier collection structures. The prospect of using MacEtch to improve the cost and efficiency of photovoltaic cells is discussed. (c) 2011 Elsevier Ltd. All rights reserved.

  3. Effect of hydrothermal condition on the formation of multi-component oxides of Ni-based metallic glass under high temperature water near the critical point

    SciTech Connect (OSTI)

    Kim, J. S.; Kim, S. Y.; Kim, D. H.; Ott, R. T.; Kim, H. G.; Lee, M. H.

    2015-07-01

    The specific feature of multi-component oxides synthesized by hydrothermal process under high temperature (633 K) and highly pressurized water (18.9 MPa) near critical point. Effects of hydrothermal processing duration times 24 hours and 72 hours, respectively, on the oxide formation of the Ni59Zr20Ti16Si2Sn3 metallic glass synthesized by powder metallurgy process were characterized by X-ray diffractometer, differential scanning calorimeter along with the particle size, morphology and crystalline phase of the oxides. The crystallization of the needle-shape NiTiO3, ZrTiO4 and ZrSnO4 ternary oxide phases observed on the surface of metallic glass at below glass transition temperature and the morphology of oxide phases changed to plate-shape around 2 ?m in diameter by the increase processing time. This hydrothermal processing in subcritical water provides accelerated dense metal oxide crystals due to the reaction medium being at higher pressure than conventional oxidation processing.

  4. Effect of hydrothermal condition on the formation of multi-component oxides of Ni-based metallic glass under high temperature water near the critical point

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

    Kim, J. S.; Kim, S. Y.; Kim, D. H.; Ott, R. T.; Kim, H. G.; Lee, M. H.

    2015-07-01

    The specific feature of multi-component oxides synthesized by hydrothermal process under high temperature (633 K) and highly pressurized water (18.9 MPa) near critical point. Effects of hydrothermal processing duration times 24 hours and 72 hours, respectively, on the oxide formation of the Ni59Zr20Ti16Si2Sn3 metallic glass synthesized by powder metallurgy process were characterized by X-ray diffractometer, differential scanning calorimeter along with the particle size, morphology and crystalline phase of the oxides. The crystallization of the needle-shape NiTiO3, ZrTiO4 and ZrSnO4 ternary oxide phases observed on the surface of metallic glass at below glass transition temperature and the morphology of oxide phasesmore » changed to plate-shape around 2 μm in diameter by the increase processing time. This hydrothermal processing in subcritical water provides accelerated dense metal oxide crystals due to the reaction medium being at higher pressure than conventional oxidation processing.« less

  5. Fe3-xTixO4 Nanoparticles as Tunable Probes of Microbial Metal Oxidation

    SciTech Connect (OSTI)

    Liu, Juan; Pearce, Carolyn I.; Liu, Chongxuan; Wang, Zheming; Shi, Liang; Arenholz, Elke; Rosso, Kevin M.

    2013-05-14

    Present and emerging biotechnological applications for iron (oxyhydr)oxide nanomaterials depend on their interaction with microorganisms, as do their toxicity, transport, and fate in biological and environmental systems. However, mass or electron transfer along key molecular pathways at microbe-nanomaterial interfaces is extremely difficult to quantify because of system complexity. Inspired by Fe(II)-oxidizing microbes widespread in nature, we isolate and characterize one such pathway by examining the oxidation of Fe3-xTixO4 (magnetite-titanomagnetite) nanoparticles by the bacterial electron transfer enzyme MtoA, a decaheme c-type cytochrome. Oxidation by MtoA was studied as a function of the thermodynamic driving force for electron transfer by controlling the Ti(IV) doping content (x), which tunes the solid-state Fe(II)/Fe(III) ratio built into the nanoparticles. A higher Fe(II)/Fe(III) ratio appears to proportionally increase the electron transfer kinetics to the cytochrome. In situ x-ray diffraction indicated that during oxidation the spinel ferrite lattice remains intact while structural Fe(II) is progressively depleted. Surface and atomic site specific Fe L2,3-edge x-ray magnetic circular dichroism indicated that MtoA directly accesses magnetically-ordered B-sublattice Fe(II) at the interface. This study provides first quantitative insights into an isolated molecular pathway for biotransformation of iron (oxyhydr)oxide nanomaterials. And, more generally, it also illustrates new techniques for probing these pathways in detail, featuring use of tailored nanoparticles, purified metalloenzyme, and synchrotron x-ray absorption spectroscopies.

  6. IN-SITU CHEMICAL STABILIZATION OF METALS AND RADIONUCLIDES THROUGH ENHANCED ANAEROBIC REDUCTIVE PRECIPITATION

    SciTech Connect (OSTI)

    Christopher C. Lutes; Angela Frizzell, PG; Todd A. Thornton; James M. Harrington

    2003-08-01

    The objective of this NETL sponsored bench-scale study was to demonstrate the efficacy of enhanced anaerobic reductive precipitation (EARP) technology for precipitating uranium using samples from contaminated groundwater at the Fernald Closure Project (FCP) in Cincinnati, Ohio. EARP enhances the natural biological reactions in the groundwater through addition of food grade substrates (typically molasses) to drive the oxidative-reductive potential of the groundwater to a lower, more reduced state, thereby precipitating uranium from solution. In order for this in-situ technology to be successful in the long term, the precipitated uranium must not be re-dissolved at an unacceptable rate once groundwater geochemical conditions return to their pretreatment, aerobic state. The approach for this study is based on the premise that redissolution of precipitated uranium will be slowed by several mechanisms including the presence of iron sulfide precipitates and coatings, and sorption onto fresh iron oxides. A bench-scale study of the technology was performed using columns packed with site soil and subjected to a continuous flow of uranium-contaminated site groundwater (476 {micro}g/L). The ''treated'' column received a steady stream of dilute food grade molasses injected into the contaminated influent. Upon attainment of a consistently reducing environment and demonstrated removal of uranium, an iron sulfate amendment was added along with the molasses in the influent solution. After a month long period of iron addition, the treatments were halted, and uncontaminated, aerobic, unamended water was introduced to the treated column to assess rebound of uranium concentrations. In the first two months of treatment, the uranium concentration in the treated column decreased to the clean-up level (30 {micro}g/L) or below, and remained there for the remainder of the treatment period. A brief period of resolubilization of uranium was observed as the treated column returned to aerobic conditions, but the concentration later returned to below the clean-up level. Speciation analysis was conducted on soil collected from the treated column after rebound testing. The experimental results show that: (a) The mass of uranium resolubilized in more than four months of column testing was much lower than the amount precipitated. (b) The majority of the uranium was precipitated in the first few inches of the treated column. The majority of the uranium precipitated was associated with iron oxides or in other immobile/sequestered phases. It is important to contrast this result with the results reported by Bryan (2003) who shows that most of the uranium associated with contaminated aquifer solids at Fernald under the existing natural attenuation/pump and treat with reinjection conditions is carbonate bound. Carbonate bound forms are traditionally seen as fairly mobile, but may not be under a calcite/dolomite saturated condition. Fernald is currently conducting further studies to investigate the mobility of the carbonate bound forms. (c) Though reoxidation concentrations from the bench-scale column exceeded 30 {micro}g/L for a time, they later returned to below this value. Effluent concentrations from the treated column are expected to over predict full-scale concentrations for reasons discussed in depth in the text. Finally, these results must be viewed in light of the site's ongoing pump-and-treat with reinjection system. There is reason to believe that although the pump-and-treat technology is currently effectively controlling the uranium plume and reducing the groundwater concentration, it may not be able to reach the treatment standard of 30 {micro}g/L within an economical operating lifetime and then maintain that concentration without rebound. This study suggests that Enhanced Anaerobic Reductive Precipitation can change the speciation and thus reduce the mobility of uranium at the site and expedite closure.

  7. Synthesis and characterization of some metal oxide nanocrystals by microwave irradiation

    SciTech Connect (OSTI)

    Rashad, M.; Gaber, A.; Abdelrahim, M. A.; Abdel-Baset, A. M.; Moharram, A. H.

    2013-12-16

    Copper oxide and cobalt oxide (CuO, Co3O4) nanocrystals (NCs) have been successfully prepared in a short time using microwave irradiation. The resulted powders of nanocrystals (NCs) were characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). Thermogravimetric analysis (TGA) measurements are also studied. Fourier-transform infrared (FT-IR) and UVvisible absorption spectroscopy of both kind of nanoparticels are illustrated. Optical absorption analysis indicated the direct band gap for both kinds of nanocrystals.

  8. Preparation of low oxygen-to-metal mixed oxide fuels for the advanced fast reactor

    SciTech Connect (OSTI)

    Kato, Masato; Nakamichi, Shinya; Takano, Tatsuo

    2007-07-01

    The preparation process for homogeneous mixed oxide pellets with a precise O/M ratio was established. The process was used to prepare pellets for heat treatments in two stages which consisted of the sintering process at high oxygen potential and the annealing process done in the atmosphere of controlled oxygen partial pressure. In the annealing process, it was found that abnormal growth of pores and occurrence of cracks were caused inside the pellet, and it was necessary for prevention of the microstructure change to control the oxygen potential of the atmosphere. Mixed oxide pellets with minor actinides were fabricated by the process and were provided to irradiation tests. (authors)

  9. Method of producing highly oxidized superconductors containing barium, copper, and a third metal

    DOE Patents [OSTI]

    Morris, D.E.

    1996-02-20

    Novel superconducting materials in the form of compounds, structures or phases are formed by performing otherwise known syntheses in a highly oxidizing atmosphere rather than that created by molecular oxygen at atmospheric pressure or below. This leads to the successful synthesis of novel superconducting compounds which are thermodynamically stable at the conditions under which they are formed. 16 figs.

  10. Method of producing highly oxidized superconductors containing barium, copper, and a third metal

    DOE Patents [OSTI]

    Morris, Donald E. (Kensington, CA)

    1996-01-01

    Novel superconducting materials in the form of compounds, structures or phases are formed by performing otherwise known syntheses in a highly oxidizing atmosphere rather than that created by molecular oxygen at atmospheric pressure or below. This leads to the successful synthesis of novel superconducting compounds which are thermodynamically stable at the conditions under which they are formed.

  11. Characterization of Chemical Speciation in Ultra Thin Uranium Oxide Films by Neutron Reflectometry

    SciTech Connect (OSTI)

    Wang, Peng

    2012-06-20

    Motivation for this project is due to more than 17 kg of HEU and 400 g of Pu have been interdicted through an international effort to control nuclear smuggling. Nuclear forensics - Detection and analysis of nuclear materials recovered from either the capture of unused materials or from the radioactive debris following a nuclear explosion or activities, which can contribute significantly for national security. Develop new nuclear forensic methods can be applied to: (a) Environmental swipes, (b) Small particulates, and (c) Thin films. Conclusions of the project are: (1) A unique approach: Neutron Reflectometry + Surface Enhanced Raman Spectroscopy; and (2) Detection of chemical speciation with {angstrom}-level resolution.

  12. Enzymatic Oxidation of Methane

    SciTech Connect (OSTI)

    Sirajuddin, S; Rosenzweig, AC

    2015-04-14

    Methane monooxygenases (MMOs) are enzymes that catalyze the oxidation of methane to methanol in methanotrophic bacteria. As potential targets for new gas-to-liquid methane bioconversion processes, MMOs have attracted intense attention in recent years. There are two distinct types of MMO, a soluble, cytoplasmic MMO (sMMO) and a membrane-bound, particulate MMO (pMMO). Both oxidize methane at metal centers within a complex, multisubunit scaffold, but the structures, active sites, and chemical mechanisms are completely different. This Current Topic review article focuses on the overall architectures, active site structures, substrate reactivities, proteinprotein interactions, and chemical mechanisms of both MMOs, with an emphasis on fundamental aspects. In addition, recent advances, including new details of interactions between the sMMO components, characterization of sMMO intermediates, and progress toward understanding the pMMO metal centers are highlighted. The work summarized here provides a guide for those interested in exploiting MMOs for biotechnological applications.

  13. 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.; Ksepko, Ewelina; Tian, Hanging

    2013-01-01

    The objective of this work was to prepare supported bimetallic FeCu 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 FeCu 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 FeCu/support oxygen carriers. Bimetallic FeCu/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 FeCu oxygen carriers. Carriers with higher Cu content had lower oxidation rates. Ten-cycle TGA data indicated that these oxygen carriers had stable performances at 800900 C and might be successfully used up to 900 C for coal CLC reaction in the presence of steam.

  14. Electrically conductive polycrystalline diamond and particulate metal based electrodes

    DOE Patents [OSTI]

    Swain, Greg M.; Wang, Jian

    2005-04-26

    An electrically conducting and dimensionally stable diamond (12, 14) and metal particle (13) electrode produced by electrodepositing the metal on the diamond is described. The electrode is particularly useful in harsh chemical environments and at high current densities and potentials. The electrode is particularly useful for generating hydrogen, and for reducing oxygen and oxidizing methanol in reactions which are of importance in fuel cells.

  15. Design and construction of a radiation resistant quadrupole using metal oxide insulated CICC

    SciTech Connect (OSTI)

    Albert F. Zeller

    2012-12-28

    The construction of a engineering test model of a radiation resistant quadrupole is described. The cold-iron quadrupole uses coils fabricated from metal-oixide (synthetic spinel) insulated Cable-In-Conduit-Conductor (CICC). The superconductor is NbTi in a copper matrix. The quadrupole is designed to produce a pole-tip field of 2 T with an operating current of 7,000 A.

  16. Method for improving the oxidation-resistance of metal substrates coated with thermal barrier coatings

    DOE Patents [OSTI]

    Thompson, Anthony Mark (Niskayuna, NY); Gray, Dennis Michael (Delanson, NY); Jackson, Melvin Robert (Niskayuna, NY)

    2002-01-01

    A method for providing a protective coating on a metal-based substrate is disclosed. The method involves the application of an aluminum-rich mixture to the substrate to form a discontinuous layer of aluminum-rich particles, followed by the application of a second coating over the discontinuous layer of aluminum-rich particles. Aluminum diffuses from the aluminum-rich layer into the substrate, and into any bond coat layer which is subsequently applied. Related articles are also described.

  17. Inductive crystal field control in layered metal oxides with correlated electrons

    SciTech Connect (OSTI)

    Balachandran, P. V.; Cammarata, A.; Rondinelli, J. M.; Nelson-Cheeseman, B. B.; Bhattacharya, A.

    2014-07-01

    We show that the NiO{sub 6} crystal field energies can be tailored indirectly via heterovalent A cation ordering in layered (La,A)NiO{sub 4} RuddlesdenPopper (RP) oxides, where A = Sr, Ca, or Ba, using density functional calculations. We leverage as a driving force the electrostatic interactions between charged [LaO]{sup 1+} and neutral [AO]{sup 0} planes to inductively tune the NiO bond distortions, without intentional doping or epitaxial strain, altering the correlated d-orbital energies. We use this strategy to design cation ordered LaCaNiO{sub 4} and LaBaNiO{sub 4} with distortions favoring enhanced Ni e{sub g} orbital polarization, and find local electronic structure signatures analogous to those in RP La-cuprates, i.e., parent phases of the high-temperature superconducting oxides.

  18. Functionalized Graphene Sheets as Molecular Templates for Controlled Nucleation and Self-Assembly of Metal Oxide-Graphene Nanocomposites

    SciTech Connect (OSTI)

    Li, Xiaolin; Qi, Wen N.; Mei, Donghai; Sushko, Maria L.; Aksay, Ilhan A.; Liu, Jun

    2012-09-25

    Graphene sheets have been extensively studied as a key functional component of graphene-based nanocomposites for electronics, energy, catalysis,and sensing applications. However, fundamental understanding of the interfacial binding and nucleation processes at graphene surfaces remains lacking, and the range of controlled structures that can be produced are limited. Here, by using a combination of theoretical and experimental approaches, we demonstrate that functionalized graphene sheets (FGS) can function as a new class of molecular templates to direct nucleation and self-assembly and produce novel, three-dimensional nanocomposite materials. Two key aspects are demonstrated: First, the functional groups on FGS surface determine the nucleation energy, and thus control the nucleation sites and nucleation density, as well as the preferred crystalline phases. Second, FGS can function as a template to direct the self-assembly of surfactant micelles and produce ordered, mesoporous arrays of crystalline metal oxides and composites.

  19. Dominance of interface chemistry over the bulk properties in determining the electronic structure of epitaxial metal/perovskite oxide heterojunctions

    SciTech Connect (OSTI)

    Chambers, Scott A.; Du, Yingge; Gu, Meng; Droubay, Timothy C.; Hepplestone, Steven; Sushko, Petr

    2015-06-09

    We show that despite very similar crystallographic properties and work function values in the bulk, epitaxial Fe and Cr metallizations on Nb:SrTiO3(001) generate completely different heterojunction electronic properties. Cr is Ohmic whereas Fe forms a Schottky barrier with a barrier height of 0.50 eV. This contrast arises because of differences in interface chemistry. In contrast to Cr [Chambers, S. A. et al., Adv. Mater. 2013, 25, 4001.], Fe exhibits a +2 oxidation state and occupies Ti sites in the perovskite lattice, resulting in negligible charge transfer to Ti, upward band bending, and Schottky barrier formation. The differences between Cr and Fe are understood by performing first-principles calculations of the energetics of defect formation which corroborate the observed interface chemistry and structure.

  20. Use of impure inert gases in the controlled heating and cooling of mixed conducting metal oxide materials

    DOE Patents [OSTI]

    Carolan, Michael Francis (Allentown, PA); Bernhart, John Charles (Fleetwood, PA)

    2012-08-21

    Method for processing an article comprising mixed conducting metal oxide material. The method comprises contacting the article with an oxygen-containing gas and either reducing the temperature of the oxygen-containing gas during a cooling period or increasing the temperature of the oxygen-containing gas during a heating period; during the cooling period, reducing the oxygen activity in the oxygen-containing gas during at least a portion of the cooling period and increasing the rate at which the temperature of the oxygen-containing gas is reduced during at least a portion of the cooling period; and during the heating period, increasing the oxygen activity in the oxygen-containing gas during at least a portion of the heating period and decreasing the rate at which the temperature of the oxygen-containing gas is increased during at least a portion of the heating period.

  1. Executive Summaries for the Hydrogen Storage Materials Center of Excellence- Chemical Hydrogen Storage CoE, Hydrogen Sorption CoE, and Metal Hydride CoE

    Broader source: Energy.gov [DOE]

    This report contains the executive summaries of the final technical reports from the three Hydrogen Storage Centers of Excellence that operated from 2005 through 2010 to develop advanced hydrogen storage materials in the areas of Chemical Hydrogen Storage Materials, Hydrogen Sorbents, and Reversible Metal Hydrides.

  2. Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

    SciTech Connect (OSTI)

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

    2015-03-01

    We study the chemical expansion for neutral and charged oxygen vacancies in fluorite, rocksalt, perovskite and pyrochlores materials using first principles calculations. We show that the neutral oxygen vacancy leads to lattice expansion whereas the charged vacancy leads to lattice contraction. In addition, we show that there is a window of strain within which an oxygen vacancy is stable; beyond that range, the vacancy can become unstable. Using CeO2|ZrO2 interface structure as an example, we show that the concentration of oxygen vacancies can be manipulated via strain, and the vacancies can be preferentially stabilized. These results could serve as guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.

  3. Compliant alkali silicate sealing glass for solid oxide fuel cell applications: thermal cycle stability and chemical compatibility

    SciTech Connect (OSTI)

    Chou, Y. S.; Thomsen, Edwin C.; Williams, Riley T.; Choi, Jung-Pyung; Canfield, Nathan L.; Bonnett, Jeff F.; Stevenson, Jeffry W.; Shyam, Amit; Lara-Curzio, E.

    2011-03-01

    An alkali silicate glass (SCN-1) is currently being evaluated as a candidate sealing glass for solid oxide fuel (SOFC) applications. The glass containing ~17 mole% alkalis (K2O and Na2O) remains vitreous and compliant during SOFC operation, unlike conventional SOFC sealing glasses, which experience substantial devitrification after the sealing process. The non-crystallizing compliant sealing glass has lower glass transition and softening temperatures since the microstructure remains glassy without significant crystallite formation, and hence can relieve or reduce residual stresses and also has the potential for crack healing. Sealing approaches based on compliant glass will also need to satisfy all the mechanical, thermal, chemical, physical, and electrical requirements for SOFC applications, not only in bulk properties but also at sealing interfaces. In this first of a series of papers we will report the thermal cycle stability of the glass when sealed between two SOFC components, i.e., a NiO/YSZ anode supported YSZ bilayer and a coated ferritic stainless steel interconnect material. High temperature leak rates were monitored versus thermal cycles between 700-850oC using back pressures ranging from 0.2 psi to 1.0 psi. Isothermal stability was also evaluated in a dual environment consisting of flowing dilute H2 fuel versus ambient air. In addition, chemical compatibility at the alumina and YSZ interfaces was examined with scanning electron microscopy and energy dispersive spectroscopy. The results shed new light on the topic of SOFC glass seal development.

  4. Solvent-directed Solgel Assembly of 3-dimensional Graphene-tented Metal Oxides and Strong Synergistic Disparities in Lithium Storage

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

    Ye, Jianchao C.; An, Yonghao H.; Montalvo, Elizabeth; Campbell, Patrick G.; Worsley, Marcus A.; Tran, Ich C.; Liu, Yuanyue Y.; Wood, Brand C.; Biener, Juergen; Jiang, Hanqing Q.; et al

    2016-02-10

    The graphene/metal oxide (GMO) nanocomposites promise a broad range of utilities for lithium ion batteries (LIBs), pseudocapacitors, catalysts, and sensors. When applied as anodes for LIBs, GMOs often exhibit high capacity, improved rate capability and cycling performance. Numerous studies have attributed these favorable properties to the charisma of graphene in assisting various metal oxides (MOs) to achieve near-theoretical capacities, exploiting the exceptional electronic and mechanical properties of graphene. By comparison, the true lithium storage mechanisms of graphene and their correlations with MOs remain enigmatic. Via a unique two-step liquid-flow-guided solgel process, we have synthesized and investigated the electrochemical performance ofmore » several representative GMOs, namely Fe2O3/graphene, SnO2/graphene, and TiO2/graphene. We observe that MOs play an equally important role in promoting graphene to achieve large reversible lithium storage capacity. Our experiments suggest that the unexpected lithium storage heightening may arise from a unique surface coverage mechanism of MOs. The magnitude of capacity improvement is found to scale crudely with the surface coverage of MOs but depend strongly upon the storage mechanisms of MOs variety. Importantly, synergistic effect is only observed in conversion reaction GMOs (i.e., Fe2O3/graphene and SnO2/graphene) but not in intercalationbased GMOs (i.e., TiO2/graphene). Our first principles calculations suggest an alternative lithium storage sites from resultant interfaces between Li2O and graphene that agree with our experimental observations. This unusually beneficial role of MOs to graphene suggests an effective pathway for reversible lithium storage in graphene and shifts design paradigms for graphene-based electrodes.« less

  5. Europium-activated phosphors containing oxides of rare-earth and group-IIIB metals and method of making the same

    DOE Patents [OSTI]

    Comanzo, Holly Ann; Setlur, Anant Achyut; Srivastava, Alok Mani; Manivannan, Venkatesan

    2004-07-13

    Europium-activated phosphors comprise oxides of at least a rare-earth metal selected from the group consisting of gadolinium, yttrium, lanthanum, and combinations thereof and at least a Group-IIIB metal selected from the group consisting of aluminum, gallium, indium, and combinations thereof. A method for making such phosphors comprises adding at least a halide of at least one of the selected Group-IIIB metals in a starting mixture. The method further comprises firing the starting mixture in an oxygen-containing atmosphere. The phosphors produced by such a method exhibit improved absorption in the UV wavelength range and improved quantum efficiency.

  6. Europium-activated phosphors containing oxides of rare-earth and group-IIIB metals and method of making the same

    DOE Patents [OSTI]

    Comanzo, Holly Ann; Setlur, Anant Achyut; Srivastava, Alok Mani

    2006-04-04

    Europium-activated phosphors comprise oxides of at least a rare-earth metal selected from the group consisting of gadolinium, yttrium, lanthanum, and combinations thereof and at least a Group-IIIB metal selected from the group consisting of aluminum, gallium, indium, and combinations thereof. A method for making such phosphors comprises adding at least a halide of at least one of the selected Group-IIIB metals in a starting mixture. The method further comprises firing the starting mixture in an oxygen-containing atmosphere. The phosphors produced by such a method exhibit improved absorption in the UV wavelength range and improved quantum efficiency.

  7. Realistic multisite lattice-gas modeling and KMC simulation of catalytic surface reactions: Kinetics and multiscale spatial behavior for CO-oxidation on metal (100) surfaces

    SciTech Connect (OSTI)

    Liu, Dajiang [Ames Laboratory; Evans, James W. [Ames Laboratory

    2013-12-01

    A realistic molecular-level description of catalytic reactions on single-crystal metal surfaces can be provided by stochastic multisite lattice-gas (msLG) models. This approach has general applicability, although in this report, we will focus on the example of CO-oxidation on the unreconstructed fcc metal (100) or M(100) surfaces of common catalyst metals M = Pd, Rh, Pt and Ir (i.e., avoiding regimes where Pt and Ir reconstruct). These models can capture the thermodynamics and kinetics of adsorbed layers for the individual reactants species, such as CO/M(100) and O/M(100), as well as the interaction and reaction between different reactant species in mixed adlayers, such as (CO + O)/M(100). The msLG models allow population of any of hollow, bridge, and top sites. This enables a more flexible and realistic description of adsorption and adlayer ordering, as well as of reaction configurations and configuration-dependent barriers. Adspecies adsorption and interaction energies, as well as barriers for various processes, constitute key model input. The choice of these energies is guided by experimental observations, as well as by extensive Density Functional Theory analysis. Model behavior is assessed via Kinetic Monte Carlo (KMC) simulation. We also address the simulation challenges and theoretical ramifications associated with very rapid diffusion and local equilibration of reactant adspecies such as CO. These msLG models are applied to describe adsorption, ordering, and temperature programmed desorption (TPD) for individual CO/M(100) and O/M(100) reactant adlayers. In addition, they are also applied to predict mixed (CO + O)/M(100) adlayer structure on the nanoscale, the complete bifurcation diagram for reactive steady-states under continuous flow conditions, temperature programmed reaction (TPR) spectra, and titration reactions for the CO-oxidation reaction. Extensive and reasonably successful comparison of model predictions is made with experimental data. Furthermore, we discuss the possible transition from traditional mean-field-type bistability and reaction kinetics for lower-pressure to multistability and enhanced fluctuation effects for moderate- or higher-pressure. Behavior in the latter regime reflects a stronger influence of adspecies interactions and also lower diffusivity in the higher-coverage mixed adlayer. We also analyze mesoscale spatiotemporal behavior including the propagation of reaction diffusion fronts between bistable reactive and inactive states, and associated nucleation-mediated transitions between these states. This behavior is controlled by complex surface mass transport processes, specifically chemical diffusion in mixed reactant adlayers for which we provide a precise theoretical formulation. The msLG models together with an appropriate treatment of chemical diffusivity enable equation-free heterogeneous coupled lattice-gas (HCLG) simulations of spatiotemporal behavior. In addition, msLG + HCLG modeling can describe coverage variations across polycrystalline catalysts surfaces, pressure variations across catalyst surfaces in microreactors, and could be incorporated into a multiphysics framework to describe mass and heat transfer limitations for high-pressure catalysis. (C) 2013 Elsevier Ltd. All rights reserved.

  8. Photo-oxidation catalysts

    DOE Patents [OSTI]

    Pitts, J. Roland (Lakewood, CO); Liu, Ping (Irvine, CA); Smith, R. Davis (Golden, CO)

    2009-07-14

    Photo-oxidation catalysts and methods for cleaning a metal-based catalyst are disclosed. An exemplary catalyst system implementing a photo-oxidation catalyst may comprise a metal-based catalyst, and a photo-oxidation catalyst for cleaning the metal-based catalyst in the presence of light. The exposure to light enables the photo-oxidation catalyst to substantially oxidize absorbed contaminants and reduce accumulation of the contaminants on the metal-based catalyst. Applications are also disclosed.

  9. Molybdenum-based additives to mixed-metal oxides for use in hot gas cleanup sorbents for the catalytic decomposition of ammonia in coal gases

    DOE Patents [OSTI]

    Ayala, Raul E. (Clifton Park, NY)

    1993-01-01

    This invention relates to additives to mixed-metal oxides that act simultaneously as sorbents and catalysts in cleanup systems for hot coal gases. Such additives of this type, generally, act as a sorbent to remove sulfur from the coal gases while substantially simultaneously, catalytically decomposing appreciable amounts of ammonia from the coal gases.

  10. Method For Improving The Oxidation Resistance Of Metal Substrates Coated With Thermal Barrier Coatings

    DOE Patents [OSTI]

    Thompson, Anthony Mark (Niskayuna, NY); Gray, Dennis Michael (Delanson, NY); Jackson, Melvin Robert (Niskayuna, NY)

    2003-05-13

    A method for providing a protective coating on a metal-based substrate is disclosed. The method involves the application of an aluminum-rich mixture to the substrate to form a discontinuous layer of aluminum-rich particles, followed by the application of a second coating over the discontinuous layer of aluminum-rich particles. Aluminum diffuses from the aluminum-rich layer into the substrate, and into any bond coat layer which is subsequently applied. Related articles are also described. A method for providing a protective coating on a metal-based substrate is disclosed. The method involves the application of an aluminum-rich mixture to the substrate to form a discontinuous layer of aluminum-rich particles, followed by the application of a second coating over the discontinuous layer of aluminum-rich particles. Aluminum diffuses from the aluminum-rich layer into the substrate, and into any bond coat layer which is subsequently applied. Related articles are also described.

  11. Process for the enhanced capture of heavy metal emissions

    DOE Patents [OSTI]

    Biswas, Pratim (Chesterfield, MO); Wu, Chang-Yu (Gainsville, FL)

    2001-01-01

    This invention is directed to a process for forming a sorbent-metal complex. The process includes oxidizing a sorbent precursor and contacting the sorbent precursor with a metallic species. The process further includes chemically reacting the sorbent precursor and the metallic species, thereby forming a sorbent-metal complex. In one particular aspect of the invention, at least a portion of the sorbent precursor is transformed into sorbent particles during the oxidation step. These sorbent particles then are contacted with the metallic species and chemically reacted with the metallic species, thereby forming a sorbent-metal complex. Another aspect of the invention is directed to a process for forming a sorbent metal complex in a combustion system. The process includes introducing a sorbent precursor into a combustion system and subjecting the sorbent precursor to an elevated temperature sufficient to oxidize the sorbent precursor and transform the sorbent precursor into sorbent particles. The process further includes contacting the sorbent particles with a metallic species and exposing the sorbent particles and the metallic species to a complex-forming temperature whereby the metallic species reacts with the sorbent particles thereby forming a sorbent-metal complex under UV irradiation.

  12. Synthesis and characterization of metal oxide materials for thermochemical CO2 splitting using concentrated solar energy.

    SciTech Connect (OSTI)

    Stechel, Ellen Beth; Ambrosini, Andrea; Coker, Eric Nicholas; Rodriguez, Mark Andrew; Miller, James Edward; Evans, Lindsey R.; Livers, Stephanie

    2010-07-01

    The Sunshine to Petrol effort at Sandia aims to convert carbon dioxide and water to precursors for liquid hydrocarbon fuels using concentrated solar power. Significant advances have been made in the field of solar thermochemical CO{sub 2}-splitting technologies utilizing yttria-stabilized zirconia (YSZ)-supported ferrite composites. Conceptually, such materials work via the basic redox reactions: Fe{sub 3}O{sub 4} {yields} 3FeO + 0.5O{sub 2} (Thermal reduction, >1350 C) and 3FeO + CO{sub 2} {yields} Fe{sub 3}O{sub 4} + CO (CO{sub 2}-splitting oxidation, <1200 C). There has been limited fundamental characterization of the ferrite-based materials at the high temperatures and conditions present in these cycles. A systematic study of these composites is underway in an effort to begin to elucidate microstructure, structure-property relationships, and the role of the support on redox behavior under high-temperature reducing and oxidizing environments. In this paper the synthesis, structural characterization (including scanning electron microscopy and room temperature and in-situ x-ray diffraction), and thermogravimetric analysis of YSZ-supported ferrites will be reported.

  13. Development of carbon-metal oxide supercapacitors from sol-gel derived carbon-ruthenium xerogels

    SciTech Connect (OSTI)

    Lin, C.; Ritter, J.A.; Popov, B.N.

    1999-09-01

    There has been increasing interest in electrochemical capacitors as energy storage systems because of their high power density and long cycle life, compared to battery devices. According to the mechanism of energy storage, there are two types of electrochemical capacitors. One type is based on double layer (dl) formation due to charge separation, and the other type is based on a faradaic process due to redox reactions. Sol-gel derived high surface area carbon-ruthenium xerogels were prepared from carbonized resorcinol-formaldehyde resins containing an electrochemically active form of ruthenium oxide. The electrochemical capacitance of these materials increased with an increase in the ruthenium content indicating the presence of pseudocapacitance associated with the ruthenium oxide undergoing reversible faradaic redox reactions. A specific capacitance of 256 F/g (single electrode) was obtained from a carbon xerogel containing 14 wt% Ru, which corresponded to more than 50% utilization of the ruthenium. The double layer accounted for 40% of this capacitance. This material was also electrochemically stable, showing no change in a cyclic voltammogram for over 2,000 cycles.

  14. Understanding Atom Probe Tomography of Oxide-Supported Metal Nanoparticles by Correlation with Atomic Resolution Electron Microscopy and Field Evaporation Simulation

    SciTech Connect (OSTI)

    Devaraj, Arun; Colby, Robert J.; Vurpillot, F.; Thevuthasan, Suntharampillai

    2014-03-26

    Metal-dielectric composite materials, specifically metal nanoparticles supported on or embedded in metal oxides, are widely used in catalysis. The accurate optimization of such nanostructures warrants the need for detailed three-dimensional characterization. Atom probe tomography is uniquely capable of generating sub-nanometer structural and compositional data with part-per-million mass sensitivity, but there are reconstruction artifacts for composites containing materials with strongly differing fields of evaporation, as for oxide-supported metal nanoparticles. By correlating atom probe tomography with scanning transmission electron microscopy for Au nanoparticles embedded in an MgO support, deviations from an ideal topography during evaporation are demonstrated directly, and correlated with compositional errors in the reconstructed data. Finite element simulations of the field evaporation process confirm that protruding Au nanoparticles will evolve on the tip surface, and that evaporation field variations lead to an inaccurate assessment of the local composition, effectively lowering the spatial resolution of the final reconstructed dataset. Cross-correlating the experimental data with simulations results in a more detailed understanding of local evaporation aberrations during APT analysis of metal-oxide composites, paving the way towards a more accurate three-dimensional characterization of this technologically important class of materials.

  15. Methyl Formate Oxidation: Speciation Data, Laminar Burning Velocities, Ignition Delay Times and a Validated Chemical Kinetic Model

    SciTech Connect (OSTI)

    Dooley, S.; Burke, M. P.; Chaos, M.; Stein, Y.; Dryer, F. L.; Zhukov, V. P.; Finch, O.; Simmie, J. M.; Curran, H. J.

    2010-07-16

    The oxidation of methyl formate (CH{sub 3}OCHO) has been studied in three experimental environments over a range of applied combustion relevant conditions: 1. A variable-pressure flow reactor has been used to quantify reactant, major intermediate and product species as a function of residence time at 3 atm and 0.5% fuel concentration for oxygen/fuel stoichiometries of 0.5, 1.0, and 1.5 at 900 K, and for pyrolysis at 975 K. 2. Shock tube ignition delays have been determined for CH{sub 3}OCHO/O{sub 2}/Ar mixtures at pressures of ? 2.7, 5.4, and 9.2 atm and temperatures of 12751935 K for mixture compositions of 0.5% fuel (at equivalence ratios of 1.0, 2.0, and 0.5) and 2.5% fuel (at an equivalence ratio of 1.0). 3. Laminar burning velocities of outwardly propagating spherical CH{sub 3}OCHO/air flames have been determined for stoichiometries ranging from 0.81.6, at atmospheric pressure using a pressure-release-type high-pressure chamber. A detailed chemical kinetic model has been constructed, validated against, and used to interpret these experimental data. The kinetic model shows that methyl formate oxidation proceeds through concerted elimination reactions, principally forming methanol and carbon monoxide as well as through bimolecular hydrogen abstraction reactions. The relative importance of elimination versus abstraction was found to depend on the particular environment. In general, methyl formate is consumed exclusively through molecular decomposition in shock tube environments, while at flow reactor and freely propagating premixed flame conditions, there is significant competition between hydrogen abstraction and concerted elimination channels. It is suspected that in diffusion flame configurations the elimination channels contribute more significantly than in premixed environments.

  16. Passivation of Zn{sub 3}P{sub 2} substrates by aqueous chemical etching and air oxidation

    SciTech Connect (OSTI)

    Kimball, Gregory M.; Bosco, Jeffrey P.; Mueller, Astrid M.; Tajdar, Syed F.; Brunschwig, Bruce S.; Atwater, Harry A.; Lewis, Nathan S.

    2012-11-15

    Surface recombination velocities measured by time-resolved photoluminescence and compositions of Zn{sub 3}P{sub 2} surfaces measured by x-ray photoelectron spectroscopy (XPS) have been correlated for a series of wet chemical etches of Zn{sub 3}P{sub 2} substrates. Zn{sub 3}P{sub 2} substrates that were etched with Br{sub 2} in methanol exhibited surface recombination velocity values of 2.8 Multiplication-Sign 10{sup 4} cm s{sup -1}, whereas substrates that were further treated by aqueous HF-H{sub 2}O{sub 2} exhibited surface recombination velocity values of 1.0 Multiplication-Sign 10{sup 4} cm s{sup -1}. Zn{sub 3}P{sub 2} substrates that were etched with Br{sub 2} in methanol and exposed to air for 1 week exhibited surface recombination velocity values of 1.8 Multiplication-Sign 10{sup 3} cm s{sup -1}, as well as improved ideality in metal/insulator/semiconductor devices.

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

    SciTech Connect (OSTI)

    Steven Brandt, E.; Grace, Jeremy M.

    2012-01-15

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

  18. STUDY MAGNETIC EXCITATIONS IN DOPED TRANSITION METAL OXIDES USING INELASTIC NEUTRON SCATTERING

    SciTech Connect (OSTI)

    Dai, Pengcheng

    2014-02-18

    Understanding the interplay between magnetism and superconductivity continues to be a hot topic in modern condensed matter physics. The discovery of high-temperature superconductivity in iron-based materials in 2008 provided an unique opportunity to compare and contrast these materials with traditional high-Tc copper oxide superconductors. Neutron scattering plays an important role in determining the dynamical spin properties in these materials. This proposal is a continuation of previous DOE supported proposal. This report summarizes the final progress we have made over from May 2005 till Aug. 2013. Overall, we continue to carry out extensive neutron scattering experiments on Fe-based materials, focusing on understanding their magnetic properties. In addition, we have established a materials laboratory at UT that has allowed us to grow these superconductors. Because neutron scattering typically demands a large amount of samples, by growing these materials in our own laboratory, we can now pursuit neutron scattering experiments over the entire electronic phase diagram, focusing on regions of interests. The material synthesis laboratory at UT was established entirely with the support of DOE funding. This not only allowed us to carry out neutron scattering experiments, but also permit us to provide samples to other US/International collaborators for studying these materials.

  19. Microstructural and chemical evolution near anode triple phase boundary in Ni/YSZ solid oxide fuel cells

    SciTech Connect (OSTI)

    Chen, Yun; Chen, Song; Hackett, Gregory; Finklea, Harry; Song, Xueyan; Gerdes, Kirk

    2011-12-12

    In this study, we report the micro-structural and chemical evolution of anode grain boundaries and triple phase boundary (TPB) junctions of Ni/YSZ anode supported solid oxide fuel cells. A NiO phase was found to develop along the Ni/YSZ interfaces extending to TPBs in the operated cells. The thickness of the NiO ribbon phase remains constant at ~ 5 nm in hydrogen for operating durations up to 540 h. When operating on synthesis gas, an increase in interphase thickness was observed from ~ 11 nm for 24 h of operation to ~ 51 nm for 550 h of operation. YSZ phases are observed to be stable in H{sub 2} over 540 h of operation. However, for the cell operated in syngas for 550 h, a 510 nm tetragonal YSZ (t-YSZ) interfacial layer was identified that originated from the Ni/YSZ interfaces. Yttrium species seem to segregate to the interfaces during operation, leading to the formation of t-YSZ in the Y-depleted regions.

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

    SciTech Connect (OSTI)

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

    2012-12-04

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

  1. Mssbauer study of metallic iron and iron oxide nanoparticles having environmental purifying ability

    SciTech Connect (OSTI)

    Kubuki, Shiro Watanabe, Yuka Akiyama, Kazuhiko; Risti?, Mira; Krehula, Stjepko; Homonnay, Zoltn; Kuzmann, Ern?; Nishida, Tetsuaki

    2014-10-27

    A relationship between local structure and methylene blue (MB) decomposing ability of nanoparticles (NPs) of metallic iron (Fe{sup 0}) and maghemite (??Fe{sub 2}O{sub 3}) was investigated by {sup 57}Fe Mssbauer spectroscopy, X-ray diffractometry and UV-visible light absorption spectroscopy. ??Fe{sub 2}O{sub 3} NPs were successfully prepared by mixing (NH{sub 4}){sub 2}Fe(SO{sub 4}){sub 2}?6H{sub 2}O (Mohr's salt) and (NH{sub 4}){sub 3}Fe(C{sub 2}O{sub 4}){sub 3}?3H{sub 2}O aqueous solution at 30 C for 1 h, while those of Fe{sup 0} were obtained by the reduction of Mohr's salt with NaBH{sub 4}. From the Scherrer's equation, the smallest crystallite sizes of ??Fe{sub 2}O{sub 3} NPs and Fe{sup 0} NPs were determined to be 9.7 and 1.5 nm, respectively. {sup 57}Fe Mssbauer spectrum of ??Fe{sub 2}O{sub 3} NPs consists of a relaxed sextet with isomer shift (?) of 0.33{sub 0.01} mm s{sup ?1}, internal magnetic field (H{sub int}) of 25.8{sub 0.5} T, and linewidth (?) of 0.62{sub 0.04} mm s{sup ?1}. {sup 57}Fe Mssbauer spectrum of Fe{sup 0} NP is mainly composed of a sextet having ?, ?, and H{sub int} of 0.00{sub 0.01} mm s{sup ?1} 0.45{sub 0.01} mm s{sup ?1}, and 22.8{sub 0.1} T, respectively. A bleaching test of the mixture of Fe{sup 0} and ??Fe{sub 2}O{sub 3} NPs (3:7 ratio, 100 mg) in MB aqueous solution (20 mL) for 6 h showed a remarkable decrease of MB concentration with the first-order rate constant (k{sub MB}) of 6.7 10{sup ?1} h{sup ?1}. This value is larger than that obtained for the bleaching test using bulk Fe{sup 0}+??Fe{sub 2}O{sub 3} (3:7) mixture (k{sub MB}?=?6.510{sup ?3}h{sup ?1}). These results prove that MB decomposing ability is enhanced by the NPs mixture of Fe{sub 0} and ??Fe{sub 2}O{sub 3}.

  2. Impact of Fission Products Impurity on the Plutonium Content of Metal- and Oxide- Fuels in Sodium Cooled Fast Reactors

    SciTech Connect (OSTI)

    Hikaru Hiruta; Gilles Youinou

    2013-09-01

    This short report presents the neutronic analysis to evaluate the impact of fission product impurity on the Pu content of Sodium-cooled Fast Reactor (SFR) metal- and oxide- fuel fabrication. The similar work has been previously done for PWR MOX fuel [1]. The analysis will be performed based on the assumption that the separation of the fission products (FP) during the reprocessing of UOX spent nuclear fuel assemblies is not perfect and that, consequently, a certain amount of FP goes into the Pu stream used to fabricate SFR fuels. Only non-gaseous FPs have been considered (see the list of 176 isotopes considered in the calculations in Appendix 1 of Reference 1). Throughout of this report, we define the mixture of Pu and FPs as PuFP. The main objective of this analysis is to quantify the increase of the Pu content of SFR fuels necessary to maintain the same average burnup at discharge independently of the amount of FP in the Pu stream, i.e. independently of the PuFP composition. The FP losses are considered element-independent, i.e., for example, 1% of FP losses mean that 1% of all non-gaseous FP leak into the Pu stream.

  3. The relationship between hydroxyl groups on oxide surfaces and the properties of supported metals. Progress report, June 1, 1992--January 31, 1994

    SciTech Connect (OSTI)

    Schwarz, J.A.

    1994-05-01

    Supported metal catalysts are commonly prepared by depositing catalytic precursors from aqueous solutions of electrolytes onto high surface area oxides. A general conclusion of our previous studies was that the performance of the finished catalyst depends on the characteristic properties of the hydroxyl inventory on the surface of the oxide support, both in wet and in (pseudo)-dry conditions. Hydroxyl groups serve as adsorption or exchange sites during catalyst preparation. On the other hand, the configuration of hydroxyl groups still remaining on oxides after dehydration determines the acid-base characteristics of the catalyst, which is an important catalytic property. The purpose of the investigation is to characterize the relationship between the complex inventory of hydroxyl groups at oxide surfaces, the acid-base properties of oxides (both in aqueous solution and in the pseudo-dry state) and the resultant effects on the properties of catalytic materials formed by adsorption/impregnation onto these hydroxylated supports during catalyst preparation. We use a common crystallographic model to describe the local configuration of hydroxyl groups on both the pseudo-dry surface and -the oxide/aqueous solution interface. This allows us to extend the concept of structurally determined intrinsic heterogeneity of pseudo-dry surfaces (as already known from the IR spectra of isolated surface hydroxyls) to the oxide/solution interface. We examine the consequences of that heterogeneity upon the impregnation step during catalyst preparation.

  4. Inert electrode composition having agent for controlling oxide growth on electrode made therefrom

    DOE Patents [OSTI]

    Ray, S.P.

    1986-04-15

    An improved inert electrode composition is suitable for use as an inert electrode in the production of metals such as aluminum by the electrolytic reduction of metal oxide or metal salt dissolved in a molten salt bath. The composition comprises one or more metal alloys and metal compounds which may include oxides of the metals comprising the alloy. The alloy and metal compounds are interwoven in a network which provides improved electrical conductivity and mechanical strength while preserving the level of chemical inertness necessary for such an electrode to function satisfactorily. The electrode composition further includes a metal compound dopant which will aid in controlling the thickness of a protective oxide layer on at least the bottom portion of an electrode made therefrom during use. 12 figs.

  5. Inert electrode composition having agent for controlling oxide growth on electrode made therefrom

    DOE Patents [OSTI]

    Ray, Siba P. (Plum Boro, PA)

    1986-01-01

    An improved inert electrode composition is suitable for use as an inert electrode in the production of metals such as aluminum by the electrolytic reduction of metal oxide or metal salt dissolved in a molten salt bath. The composition comprises one or more metal alloys and metal compounds which may include oxides of the metals comprising the alloy. The alloy and metal compounds are interwoven in a network which provides improved electrical conductivity and mechanical strength while preserving the level of chemical inertness necessary for such an electrode to function satisfactorily. The electrode composition further includes a metal compound dopant which will aid in controlling the thickness of a protective oxide layer on at least the bottom portion of an electrode made therefrom during use.

  6. Electron-electron scattering-induced channel hot electron injection in nanoscale n-channel metal-oxide-semiconductor field-effect-transistors with high-k/metal gate stacks

    SciTech Connect (OSTI)

    Tsai, Jyun-Yu; Liu, Kuan-Ju; Lu, Ying-Hsin; Liu, Xi-Wen; Chang, Ting-Chang; Chen, Ching-En; Ho, Szu-Han; Tseng, Tseung-Yuen; Cheng, Osbert; Huang, Cheng-Tung; Lu, Ching-Sen

    2014-10-06

    This work investigates electron-electron scattering (EES)-induced channel hot electron (CHE) injection in nanoscale n-channel metal-oxide-semiconductor field-effect-transistors (n-MOSFETs) with high-k/metal gate stacks. Many groups have proposed new models (i.e., single-particle and multiple-particle process) to well explain the hot carrier degradation in nanoscale devices and all mechanisms focused on Si-H bond dissociation at the Si/SiO{sub 2} interface. However, for high-k dielectric devices, experiment results show that the channel hot carrier trapping in the pre-existing high-k bulk defects is the main degradation mechanism. Therefore, we propose a model of EES-induced CHE injection to illustrate the trapping-dominant mechanism in nanoscale n-MOSFETs with high-k/metal gate stacks.

  7. Use of ion conductors in the pyrochemical reduction of oxides

    DOE Patents [OSTI]

    Miller, W.E.; Tomczuk, Z.

    1994-02-01

    An electrochemical process and electrochemical cell for reducing a metal oxide are provided. First the oxide is separated as oxygen gas using, for example, a ZrO[sub 2] oxygen ion conductor anode and the metal ions from the reduction salt are reduced and deposited on an ion conductor cathode, for example, sodium ion reduced on a [beta]-alumina sodium ion conductor cathode. The generation of and separation of oxygen gas avoids the problem with chemical back reaction of oxygen with active metals in the cell. The method also is characterized by a sequence of two steps where an inert cathode electrode is inserted into the electrochemical cell in the second step and the metallic component in the ion conductor is then used as the anode to cause electrochemical reduction of the metal ions formed in the first step from the metal oxide where oxygen gas formed at the anode. The use of ion conductors serves to isolate the active components from chemically reacting with certain chemicals in the cell. While applicable to a variety of metal oxides, the invention has special importance for reducing CaO to Ca[sup o] used for reducing UO[sub 2] and PuO[sub 2] to U and Pu. 2 figures.

  8. Use of ion conductors in the pyrochemical reduction of oxides

    DOE Patents [OSTI]

    Miller, William E. (Naperville, IL); Tomczuk, Zygmunt (Lockport, IL)

    1994-01-01

    An electrochemical process and electrochemical cell for reducing a metal oxide are provided. First the oxide is separated as oxygen gas using, for example, a ZrO.sub.2 oxygen ion conductor anode and the metal ions from the reduction salt are reduced and deposited on an ion conductor cathode, for example, sodium ion reduced on a .beta.-alumina sodium ion conductor cathode. The generation of and separation of oxygen gas avoids the problem with chemical back reaction of oxygen with active metals in the cell. The method also is characterized by a sequence of two steps where an inert cathode electrode is inserted into the electrochemical cell in the second step and the metallic component in the ion conductor is then used as the anode to cause electrochemical reduction of the metal ions formed in the first step from the metal oxide where oxygen gas formed at the anode. The use of ion conductors serves to isolate the active components from chemically reacting with certain chemicals in the cell. While applicable to a variety of metal oxides, the invention has special importance for reducing CaO to Ca.degree. used for reducing UO.sub.2 and PuO.sub.2 to U and Pu.

  9. Control of metal dusting corrosion in Ni-base alloys.

    SciTech Connect (OSTI)

    Zeng, Z.; Natesan, K.; Energy Technology

    2007-11-01

    Metal dusting is a major issue in plants used in the production of hydrogen-and methanol-reformer systems, and syngas (H{sub 2}/CO mixtures) systems that are pertinent to the chemical and petrochemical industries. Usually, metal dusting corrosion has two stages: incubation and growth resulting in propagation of metal dusting pits. The two stages were studied by scanning electron microscopy and profile mapping to evaluate the scale of the surface oxide in the initiation and propagation of metal dusting attack. The initiation occurs because of the presence of defects, and the propagation is determined by the diffusion of carbon into the alloy. The carbon diffusion pathways can be blocked by periodically oxidizing alloy surface at moderate temperatures in controlled atmospheres. It was concluded that metal dusting degradation can be mitigated by selecting an alloy with a long incubation time and subjecting it to intermediate oxidation.

  10. Method and electrochemical cell for synthesis and treatment of metal monolayer electrocatalysts metal, carbon, and oxide nanoparticles ion batch, or in continuous fashion

    DOE Patents [OSTI]

    Adzic, Radoslav; Zhang, Junliang; Sasaki, Kotaro

    2015-04-28

    An apparatus and method for synthesis and treatment of electrocatalyst particles in batch or continuous fashion is provided. In one embodiment, the apparatus comprises a sonication bath and a two-compartment chamber submerged in the sonication bath. The upper and lower compartments are separated by a microporous material surface. The upper compartment comprises a cover and a working electrode (WE) connected to a Pt foil contact, with the foil contact connected to the microporous material. The upper chamber further comprises reference counter electrodes. The lower compartment comprises an electrochemical cell containing a solution of metal ions. In one embodiment, the method for synthesis of electrocatalysts comprises introducing a plurality of particles into the apparatus and applying sonication and an electrical potential to the microporous material connected to the WE. After the non-noble metal ions are deposited onto the particles, the non-noble metal ions are displaced by noble-metal ions by galvanic displacement.

  11. Nanostructured Metal Oxide Anodes

    Broader source: Energy.gov [DOE]

    2009 DOE Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C.

  12. Chemical microsensors

    DOE Patents [OSTI]

    Li, DeQuan (Los Alamos, NM); Swanson, Basil I. (Los Alamos, NM)

    1995-01-01

    An article of manufacture is provided including a substrate having an oxide surface layer and a selective thin film of a cyclodextrin derivative chemically bound upon said substrate, said film is adapted for the inclusion of a selected organic compound therewith. Such an article can be either a chemical sensor capable of detecting a resultant mass change from inclusion of the selected organic compound or a chemical separator capable of reversibly selectively separating a selected organic compound.

  13. Effects of chemical intermixing on electrical and thermal contact conductances at metallized bismuth and antimony telluride interfaces

    SciTech Connect (OSTI)

    Devender,; Mehta, Rutvik J.; Ramanath, Ganpati; Lofgreen, Kelly; Mahajan, Ravi; Yamaguchi, Masashi; Borca-Tasciuc, Theodorian

    2015-03-15

    Tailoring electrical and thermal contact conductivities (?{sub c} and ?{sub c}) across metallized pnictogen chalcogenide interfaces is key for realizing efficient thermoelectric devices. The authors report that Cu, Ni, Ti, and Ta diffusion and interfacial telluride formation with n-Bi{sub 2}Te{sub 3} and p-Sb{sub 2}Te{sub 3} influence both ?{sub c} and ?{sub c}. Cu metallization yields the highest ?{sub c} and the lowest ?{sub c}, correlating with maximal metal diffusion and copper telluride formation. Ni diffuses less and yields the highest ?{sub c} with Sb{sub 2}Te{sub 3} due to p-type nickel telluride formation, which diminishes ?{sub c} improvement with n-Bi{sub 2}Te{sub 3} interfaces. Ta and Ti contacts yield the lowest properties similar to that in Ni-metallized structures. These correlations between interfacial diffusion and phase formation on electronic and thermal transport properties will be important for devising suitable metallization for thermoelectric devices.

  14. Adsorption of propane, isopropyl, and hydrogen on cluster models of the M1 phase of Mo-V-Te-Nb-O mixed metal oxide catalyst

    SciTech Connect (OSTI)

    Govindasamy, Agalya; Muthukumar, Kaliappan; Yu, Junjun; Xu, Ye; Guliants, Vadim V.

    2010-01-01

    The Mo-V-Te-Nb-O mixed metal oxide catalyst possessing the M1 phase structure is uniquely capable of directly converting propane into acrylonitrile. However, the mechanism of this complex eight-electron transformation, which includes a series of oxidative H-abstraction and N-insertion steps, remains poorly understood. We have conducted a density functional theory study of cluster models of the proposed active and selective site for propane ammoxidation, including the adsorption of propane, isopropyl (CH{sub 3}CHCH{sub 3}), and H which are involved in the first step of this transformation, that is, the methylene C-H bond scission in propane, on these active site models. Among the surface oxygen species, the telluryl oxo (Te=O) is found to be the most nucleophilic. Whereas the adsorption of propane is weak regardless of the MO{sub x} species involved, isopropyl and H adsorption exhibits strong preference in the order of Te=O > V=O > bridging oxygens > empty Mo apical site, suggesting the importance of TeO{sub x} species for H abstraction. The adsorption energies of isopropyl and H and consequently the reaction energy of the initial dehydrogenation of propane are strongly dependent on the number of ab planes included in the cluster, which points to the need to employ multilayer cluster models to correctly capture the energetics of surface chemistry on this mixed metal oxide catalyst.

  15. Tuning the metal-insulator crossover and magnetism in SrRuO3 by ionic

    Office of Scientific and Technical Information (OSTI)

    gating (Journal Article) | SciTech Connect Journal Article: Tuning the metal-insulator crossover and magnetism in SrRuO3 by ionic gating Citation Details In-Document Search Title: Tuning the metal-insulator crossover and magnetism in SrRuO3 by ionic gating Reversible control of charge transport and magnetic properties without degradation is a key for device applications of transition metal oxides. Chemical doping during the growth of transition metal oxides can result in large changes in

  16. Method for synthesis of high T[sub c] superconducting materials by oxidation and press coating of metallic precursor alloys

    DOE Patents [OSTI]

    Gao, W.; Vander Sande, J.B.

    1993-01-19

    A superconductor oxide composite is prepared using a press coating technique. The coated layers on various substrates exhibit good adhesion, textured microstructure, and improved J[sub c].

  17. Method for synthesis of high T.sub.c superconducting materials by oxidation and press coating of metallic precursor alloys

    DOE Patents [OSTI]

    Gao, Wei (Somerville, MA); Vander Sande, John B. (Newbury, MA)

    1993-01-01

    A superconductor oxide composite is prepared using a press coating technique. The coated layers on various substrates exhibit good adhesion, textured microstructure, and improved J.sub.c.

  18. Durable metallized polymer mirror

    DOE Patents [OSTI]

    Schissel, Paul O. (Golden, CO); Kennedy, Cheryl E. (Lafayette, CO); Jorgensen, Gary J. (Pine, CO); Shinton, Yvonne D. (Northglenn, CO); Goggin, Rita M. (Englewood, CO)

    1994-01-01

    A metallized polymer mirror construction having improved durability against delamination and tunneling, comprising: an outer layer of polymeric material; a metal oxide layer underlying the outer layer of polymeric material; a silver reflective layer underneath the metal oxide layer; and a layer of adhesive attaching the silver layer to a substrate.

  19. Durable metallized polymer mirror

    DOE Patents [OSTI]

    Schissel, P.O.; Kennedy, C.E.; Jorgensen, G.J.; Shinton, Y.D.; Goggin, R.M.

    1994-11-01

    A metallized polymer mirror construction is disclosed having improved durability against delamination and tunneling, comprising: an outer layer of polymeric material; a metal oxide layer underlying the outer layer of polymeric material; a silver reflective layer underneath the metal oxide layer; and a layer of adhesive attaching the silver layer to a substrate. 6 figs.

  20. Actinide metal processing

    DOE Patents [OSTI]

    Sauer, Nancy N. (Los Alamos, NM); Watkin, John G. (Los Alamos, NM)

    1992-01-01

    A process of converting an actinide metal such as thorium, uranium, or plnium to an actinide oxide material by admixing the actinide metal in an aqueous medium with a hypochlorite as an oxidizing agent for sufficient time to form the actinide oxide material and recovering the actinide oxide material is provided together with a low temperature process of preparing an actinide oxide nitrate such as uranyl nitrte. Additionally, a composition of matter comprising the reaction product of uranium metal and sodium hypochlorite is provided, the reaction product being an essentially insoluble uranium oxide material suitable for disposal or long term storage.

  1. Actinide metal processing

    DOE Patents [OSTI]

    Sauer, N.N.; Watkin, J.G.

    1992-03-24

    A process for converting an actinide metal such as thorium, uranium, or plutonium to an actinide oxide material by admixing the actinide metal in an aqueous medium with a hypochlorite as an oxidizing agent for sufficient time to form the actinide oxide material and recovering the actinide oxide material is described together with a low temperature process for preparing an actinide oxide nitrate such as uranyl nitrate. Additionally, a composition of matter comprising the reaction product of uranium metal and sodium hypochlorite is provided, the reaction product being an essentially insoluble uranium oxide material suitable for disposal or long term storage.

  2. On the Theory of Oxidation-Reduction Reactions Involving Electron Transfer. V. Comparison and Properties of Electrochemical and Chemical Rate Constants

    DOE R&D Accomplishments [OSTI]

    Marcus, R. A.

    1962-01-01

    Using a theory of electron transfers which takes cognizance of reorganization of the medium outside the inner coordination shell and of changes of bond lengths inside it, relations between electrochemical and related chemical rate constants are deduced and compared with the experimental data. A correlation is found, without the use of arbitrary parameters. Effects of weak complexes with added electrolytes are included under specified conditions. The deductions offer a way of coordinating a variety of data in the two fields, internally as well as with each those in another. For example, the rate of oxidation or reduction of a series of related reactants by one reagent is correlated with that of another and with that of the corresponding electrochemical oxidation-reduction reaction, under certain specified conditions. These correlations may also provide a test for distinguishing an electron from an atom transfer mechanism. (auth)

  3. Iron phosphate compositions for containment of hazardous metal waste

    DOE Patents [OSTI]

    Day, D.E.

    1998-05-12

    An improved iron phosphate waste form for the vitrification, containment and long-term disposition of hazardous metal waste such as radioactive nuclear waste is provided. The waste form comprises a rigid iron phosphate matrix resulting from the cooling of a melt formed by heating a batch mixture comprising the metal waste and a matrix-forming component. The waste form comprises from about 30 to about 70 weight percent P{sub 2}O{sub 5} and from about 25 to about 50 weight percent iron oxide and has metals present in the metal waste chemically dissolved therein. The concentration of iron oxide in the waste form along with a high proportion of the iron in the waste form being present as Fe{sup 3+} provide a waste form exhibiting improved chemical resistance to corrosive attack. A method for preparing the improved iron phosphate waste forms is also provided. 21 figs.

  4. Iron phosphate compositions for containment of hazardous metal waste

    DOE Patents [OSTI]

    Day, Delbert E.

    1998-01-01

    An improved iron phosphate waste form for the vitrification, containment and long-term disposition of hazardous metal waste such as radioactive nuclear waste is provided. The waste form comprises a rigid iron phosphate matrix resulting from the cooling of a melt formed by heating a batch mixture comprising the metal waste and a matrix-forming component. The waste form comprises from about 30 to about 70 weight percent P.sub.2 O.sub.5 and from about 25 to about 50 weight percent iron oxide and has metals present in the metal waste chemically dissolved therein. The concentration of iron oxide in the waste form along with a high proportion of the iron in the waste form being present as Fe.sup.3+ provide a waste form exhibiting improved chemical resistance to corrosive attack. A method for preparing the improved iron phosphate waste forms is also provided.

  5. An in-depth noise model for giant magnetoresistance current sensors for circuit design and complementary metaloxidesemiconductor integration

    SciTech Connect (OSTI)

    Roldn, A. Roldn, J. B.; Reig, C.; Cardoso, S.; Cardoso, F.; Ferreira, R.; Freitas, P. P.

    2014-05-07

    Full instrumentation bridges based on spin valve of giant magnetoresistance and magnetic tunnel junction devices have been microfabricated and experimentally characterized from the DC and noise viewpoint. A more realistic model of these devices was obtained in this work, an electrical and thermal model previously developed have been improved in such a way that noise effects are also included. We have implemented the model in a circuit simulator and reproduced the experimental measurements accurately. This provides a more realistic and complete tool for circuit design where magnetoresistive elements are combined with well-known complementary metaloxidesemiconductor modules.

  6. Process for the production of hydrogen and carbonyl sulfide from hydrogen sulfide and carbon monoxide using a multi-metal oxide/sulfide catalyst

    SciTech Connect (OSTI)

    Jevnikar, M. G.; Kuch, Ph. L.

    1985-02-19

    Hydrogen and carbonyl sulfide are produced by a process comprising contacting gaseous hydrogen sulfide with gaseous carbon monoxide in the presence of a catalytic composition containing an oxide and/or sulfide of at least one of molybdenum, tungsten, iron, chromium and vanadium in combination with at least one promoter metal, e.g. a catalyst of the formula Cs Cu /SUB 0.2/ Zn /SUB 0.5/ Mn /SUB 0.5/ Sn /SUB 2.4/ Mo O /SUB x/ S /SUB y/ .

  7. Oxygen Carriers for Solid Fuel Chemical Looping Combustion Process - Energy

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

    Innovation Portal Oxygen Carriers for Solid Fuel Chemical Looping Combustion Process Regenerable Mixed Copper-Iron-Inert Support Oxygen Carriers National Energy Technology Laboratory Contact NETL About This Technology Publications: PDF Document Publication 13159553.pdf (405 KB) Technology Marketing Summary This patent-pending technology, "Regenerable Mixed Copper-Iron-Inert Support Oxygen Carriers for Solid Fuel Chemical Looping Combustion Process," provides a metal-oxide oxygen

  8. ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A...

    Broader source: Energy.gov (indexed) [DOE]

    Ethylene Oxide, Ammonia, and Terephthalic Acid, December 2007 Bandwidth Study U.S. Chemical Manufacturing ITP Chemicals: Energy and Environmental Profile of the U.S....

  9. Method and system for the combination of non-thermal plasma and metal/metal oxide doped .gamma.-alumina catalysts for diesel engine exhaust aftertreatment system

    DOE Patents [OSTI]

    Aardahl, Christopher L. (Richland, WA); Balmer-Miller, Mari Lou (West Richland, WA); Chanda, Ashok (Peoria, IL); Habeger, Craig F. (West Richland, WA); Koshkarian, Kent A. (Peoria, IL); Park, Paul W. (Peoria, IL)

    2006-07-25

    The present disclosure pertains to a system and method for treatment of oxygen rich exhaust and more specifically to a method and system that combines non-thermal plasma with a metal doped .gamma.-alumina catalyst. Current catalyst systems for the treatment of oxygen rich exhaust are capable of achieving only approximately 7 to 12% NO.sub.x reduction as a passive system and only 25 40% reduction when a supplemental hydrocarbon reductant is injected into the exhaust stream. It has been found that treatment of an oxygen rich exhaust initially with a non-thermal plasma and followed by subsequent treatment with a metal doped .gamma.-alumina prepared by the sol gel method is capable of increasing the NO.sub.x reduction to a level of approximately 90% in the absence of SO.sub.2 and 80% in the presence of 20 ppm of SO.sub.2. Especially useful metals have been found to be indium, gallium, and tin.

  10. Reducible oxide based catalysts

    DOE Patents [OSTI]

    Thompson, Levi T.; Kim, Chang Hwan; Bej, Shyamal K.

    2010-04-06

    A catalyst is disclosed herein. The catalyst includes a reducible oxide support and at least one noble metal fixed on the reducible oxide support. The noble metal(s) is loaded on the support at a substantially constant temperature and pH.

  11. The Fundamental Role of Nano-Scale Oxide Films in the Oxidation of Hydrogen and the Reduction of Oxygen on Noble Metal Electrocatalysts

    SciTech Connect (OSTI)

    Digby Macdonald

    2005-04-15

    The derivation of successful fuel cell technologies requires the development of more effective, cheaper, and poison-resistant electrocatalysts for both the anode (H{sub 2} oxidation in the presence of small amounts of CO from the reforming of carbonaceous fuels) and the cathode (reduction of oxygen in the presence of carried-over fuel). The proposed work is tightly focused on one specific aspect of electrocatalysis; the fundamental role(s) played by nanoscale (1-2 nm thick) oxide (''passive'') films that form on the electrocatalyst surfaces above substrate-dependent, critical potentials, on charge transfer reactions, particularly at elevated temperatures (25 C < T < 200 C). Once the role(s) of these films is (are) adequately understood, we will then use this information to specify, at the molecular level, optimal properties of the passive layer for the efficient electrocatalysis of the oxygen reduction reaction.

  12. Application of high-resolution time-of-flight chemical ionization mass spectrometry measurements to estimate volatility distributions of α-pinene and naphthalene oxidation products

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

    Chhabra, P. S.; Lambe, A. T.; Canagaratna, M. R.; Stark, H.; Jayne, J. T.; Onasch, T. B.; Davidovits, P.; Kimmel, J. R.; Worsnop, D. R.

    2015-01-05

    Recent developments in high-resolution time-of-flight chemical ionization mass spectrometry (HR-ToF-CIMS) have made it possible to directly detect atmospheric organic compounds in real time with high sensitivity and with little or no fragmentation, including low-volatility, highly oxygenated organic vapors that are precursors to secondary organic aerosol formation. Here, using ions identified by high-resolution spectra from an HR-ToF-CIMS with acetate reagent ion chemistry, we develop an algorithm to estimate the vapor pressures of measured organic acids. The algorithm uses identified ion formulas and calculated double bond equivalencies, information unavailable in quadrupole CIMS technology, as constraints for the number of possible oxygen-containing functionalmore » groups. The algorithm is tested with acetate chemical ionization mass spectrometry (acetate-CIMS) spectra of O3 and OH oxidation products of α-pinene and naphthalene formed in a flow reactor with integrated OH exposures ranged from 1.2 × 1011 to 9.7 × 1011 molec s cm−3, corresponding to approximately 1.0 to 7.5 days of equivalent atmospheric oxidation. Measured gas-phase organic acids are similar to those previously observed in environmental chamber studies. For both precursors, we find that acetate-CIMS spectra capture both functionalization (oxygen addition) and fragmentation (carbon loss) as a function of OH exposure. The level of fragmentation is observed to increase with increased oxidation. The predicted condensed-phase secondary organic aerosol (SOA) average acid yields and O/C and H/C ratios agree within uncertainties with previous chamber and flow reactor measurements and ambient CIMS results. While acetate reagent ion chemistry is used to selectively measure organic acids, in principle this method can be applied to additional reagent ion chemistries depending on the application.« less

  13. Method for dry etching of transition metals

    DOE Patents [OSTI]

    Ashby, C.I.H.; Baca, A.G.; Esherick, P.; Parmeter, J.E.; Rieger, D.J.; Shul, R.J.

    1998-09-29

    A method for dry etching of transition metals is disclosed. The method for dry etching of a transition metal (or a transition metal alloy such as a silicide) on a substrate comprises providing at least one nitrogen- or phosphorus-containing {pi}-acceptor ligand in proximity to the transition metal, and etching the transition metal to form a volatile transition metal/{pi}-acceptor ligand complex. The dry etching may be performed in a plasma etching system such as a reactive ion etching (RIE) system, a downstream plasma etching system (i.e. a plasma afterglow), a chemically-assisted ion beam etching (CAIBE) system or the like. The dry etching may also be performed by generating the {pi}-acceptor ligands directly from a ligand source gas (e.g. nitrosyl ligands generated from nitric oxide), or from contact with energized particles such as photons, electrons, ions, atoms, or molecules. In some preferred embodiments of the present invention, an intermediary reactant species such as carbonyl or a halide ligand is used for an initial chemical reaction with the transition metal, with the intermediary reactant species being replaced at least in part by the {pi}-acceptor ligand for forming the volatile transition metal/{pi}-acceptor ligand complex.

  14. Method for dry etching of transition metals

    DOE Patents [OSTI]

    Ashby, Carol I. H. (Edgewood, NM); Baca, Albert G. (Albuquerque, NM); Esherick, Peter (Albuquerque, NM); Parmeter, John E. (Albuquerque, NM); Rieger, Dennis J. (Tijeras, NM); Shul, Randy J. (Albuquerque, NM)

    1998-01-01

    A method for dry etching of transition metals. The method for dry etching of a transition metal (or a transition metal alloy such as a silicide) on a substrate comprises providing at least one nitrogen- or phosphorous-containing .pi.-acceptor ligand in proximity to the transition metal, and etching the transition metal to form a volatile transition metal/.pi.-acceptor ligand complex. The dry etching may be performed in a plasma etching system such as a reactive ion etching (RIE) system, a downstream plasma etching system (i.e. a plasma afterglow), a chemically-assisted ion beam etching (CAIBE) system or the like. The dry etching may also be performed by generating the .pi.-acceptor ligands directly from a ligand source gas (e.g. nitrosyl ligands generated from nitric oxide), or from contact with energized particles such as photons, electrons, ions, atoms, or molecules. In some preferred embodiments of the present invention, an intermediary reactant species such as carbonyl or a halide ligand is used for an initial chemical reaction with the transition metal, with the intermediary reactant species being replaced at least in part by the .pi.-acceptor ligand for forming the volatile transition metal/.pi.-acceptor ligand complex.

  15. L{sub g}?=?100?nm In{sub 0.7}Ga{sub 0.3}As quantum well metal-oxide semiconductor field-effect transistors with atomic layer deposited beryllium oxide as interfacial layer

    SciTech Connect (OSTI)

    Koh, D., E-mail: dh.koh@utexas.edu, E-mail: Taewoo.Kim@sematech.org [Department of Electrical and Computer Engineering, Microelectronics Research Center, The University of Texas at Austin, Austin, Texas 78758 (United States); SEMATECH, Inc., Albany, New York 12203 (United States); Kwon, H. M. [Department of Electronics Engineering, Chungnam National University, Daejeon 305-764 (Korea, Republic of); Kim, T.-W., E-mail: dh.koh@utexas.edu, E-mail: Taewoo.Kim@sematech.org; Veksler, D.; Gilmer, D.; Kirsch, P. D. [SEMATECH, Inc., Albany, New York 12203 (United States); Kim, D.-H. [SEMATECH, Inc., Albany, New York 12203 (United States); GLOBALFOUNDRIES, Malta, New York 12020 (United States); Hudnall, Todd W. [Department of Chemistry and Biochemistry, Texas State University, San Marcos, Texas, 78666 (United States); Bielawski, Christopher W. [Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, Texas 78712 (United States); Maszara, W. [GLOBALFOUNDRIES, Santa Clara, California 95054 (United States); Banerjee, S. K. [Department of Electrical and Computer Engineering, Microelectronics Research Center, The University of Texas at Austin, Austin, Texas 78758 (United States)

    2014-04-21

    In this study, we have fabricated nanometer-scale channel length quantum-well (QW) metal-oxide-semiconductor field effect transistors (MOSFETs) incorporating beryllium oxide (BeO) as an interfacial layer. BeO has high thermal stability, excellent electrical insulating characteristics, and a large band-gap, which make it an attractive candidate for use as a gate dielectric in making MOSFETs. BeO can also act as a good diffusion barrier to oxygen owing to its small atomic bonding length. In this work, we have fabricated In{sub 0.53}Ga{sub 0.47}As MOS capacitors with BeO and Al{sub 2}O{sub 3} and compared their electrical characteristics. As interface passivation layer, BeO/HfO{sub 2} bilayer gate stack presented effective oxide thickness less 1 nm. Furthermore, we have demonstrated In{sub 0.7}Ga{sub 0.3}As QW MOSFETs with a BeO/HfO{sub 2} dielectric, showing a sub-threshold slope of 100?mV/dec, and a transconductance (g{sub m,max}) of 1.1 mS/?m, while displaying low values of gate leakage current. These results highlight the potential of atomic layer deposited BeO for use as a gate dielectric or interface passivation layer for IIIV MOSFETs at the 7?nm technology node and/or beyond.

  16. Recent advances of lanthanum-based perovskite oxides for catalysis

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

    Zhu, Huiyuan; Zhang, Pengfei; Dai, Sheng

    2015-09-21

    There is a need to reduce the use of noble metal elements especially in the field of catalysis, where noble metals are ubiquitously applied. To this end, perovskite oxides, an important class of mixed oxide, have been attracting increasing attention for decades as potential replacements. Benefiting from the extraordinary tunability of their compositions and structures, perovskite oxides can be rationally tailored and equipped with targeted physical and chemical properties e.g. redox behavior, oxygen mobility, and ion conductivity for enhanced catalysis. Recently, the development of highly efficient perovskite oxide catalysts has been extensively studied. This review article summarizes the recent developmentmore » of lanthanum-based perovskite oxides as advanced catalysts for both energy conversion applications and traditional heterogeneous reactions.« less

  17. Recent advances of lanthanum-based perovskite oxides for catalysis

    SciTech Connect (OSTI)

    Zhu, Huiyuan; Zhang, Pengfei; Dai, Sheng

    2015-09-21

    There is a need to reduce the use of noble metal elements especially in the field of catalysis, where noble metals are ubiquitously applied. To this end, perovskite oxides, an important class of mixed oxide, have been attracting increasing attention for decades as potential replacements. Benefiting from the extraordinary tunability of their compositions and structures, perovskite oxides can be rationally tailored and equipped with targeted physical and chemical properties e.g. redox behavior, oxygen mobility, and ion conductivity for enhanced catalysis. Recently, the development of highly efficient perovskite oxide catalysts has been extensively studied. This review article summarizes the recent development of lanthanum-based perovskite oxides as advanced catalysts for both energy conversion applications and traditional heterogeneous reactions.

  18. Method for preparing metal powder, device for preparing metal powder, method for processing spent nuclear fuel

    DOE Patents [OSTI]

    Park, Jong-Hee (Clarendon Hills, IL)

    2011-11-29

    A method for producing metal powder is provided the comprising supplying a molten bath containing a reducing agent, contacting a metal oxide with the molten bath for a time and at a temperature sufficient to reduce the metal in the metal oxide to elemental metal and produce free oxygen; and isolating the elemental metal from the molten bath.

  19. Chemical structure of vanadium-based contact formation on n-AlN

    SciTech Connect (OSTI)

    Pookpanratana, S.; France, R.; Blum, M.; Bell, A.; Bar, M.; Weinhardt, L.; Zhang, Y.; Hofmann, T.; Fuchs, O.; Yang, W.; Denlinger, J. D.; Mulcahy, S.; Moustakas, T. D.; Heske, Clemens

    2010-05-17

    We have investigated the chemical interaction between a Au/V/Al/V layer structure and n-type AlN epilayers using soft x-ray photoemission, x-ray emission spectroscopy, and atomic force microscopy. To understand the complex processes involved in this multicomponent system, we have studied the interface before and after a rapid thermal annealing step. We find the formation of a number of chemical phases at the interface, including VN, metallic vanadium, aluminum oxide, and metallic gold. An interaction mechanism for metal contact formation on the entire n-(Al,Ga)N system is proposed.

  20. Reliable wet-chemical cleaning of natively oxidized high-efficiency Cu(In,Ga)Se{sub 2} thin-film solar cell absorbers

    SciTech Connect (OSTI)

    Lehmann, Jascha; Lehmann, Sebastian; Lauermann, Iver; Rissom, Thorsten; Kaufmann, Christian A.; Lux-Steiner, Martha Ch.; Br, Marcus; Sadewasser, Sascha

    2014-12-21

    Currently, Cu-containing chalcopyrite-based solar cells provide the highest conversion efficiencies among all thin-film photovoltaic (PV) technologies. They have reached efficiency values above 20%, the same performance level as multi-crystalline silicon-wafer technology that dominates the commercial PV market. Chalcopyrite thin-film heterostructures consist of a layer stack with a variety of interfaces between different materials. It is the chalcopyrite/buffer region (forming the p-n junction), which is of crucial importance and therefore frequently investigated using surface and interface science tools, such as photoelectron spectroscopy and scanning probe microscopy. To ensure comparability and validity of the results, a general preparation guide for realistic surfaces of polycrystalline chalcopyrite thin films is highly desirable. We present results on wet-chemical cleaning procedures of polycrystalline Cu(In{sub 1-x}Ga{sub x})Se{sub 2} thin films with an average x?=?[Ga]/([In]?+?[Ga])?=?0.29, which were exposed to ambient conditions for different times. The hence natively oxidized sample surfaces were etched in KCN- or NH{sub 3}-based aqueous solutions. By x-ray photoelectron spectroscopy, we find that the KCN treatment results in a chemical surface structure which is apart from a slight change in surface composition identical to a pristine as-received sample surface. Additionally, we discover a different oxidation behavior of In and Ga, in agreement with thermodynamic reference data, and we find indications for the segregation and removal of copper selenide surface phases from the polycrystalline material.

  1. Influence of the chemical surface structure on the nanoscale friction in plasma nitrided and post-oxidized ferrous alloy

    SciTech Connect (OSTI)

    Freislebem, Mrcia; Menezes, Caren M.; Cemin, Felipe; Costi, Fernanda B.; Ferreira, Patrcia A.; Aguzzoli, Csar; Baumvol, Israel J. R.; Alvarez, Fernando; Figueroa, Carlos A.

    2014-09-15

    Friction is a ubiquitous phenomenon in everyday activities spanning from vehicles where efficient brakes are mandatory up to mechanical devices where its minimum effects are pursued for energy efficiency issues. Recently, theoretical models succeed correlating the friction behavior with energy transference via phonons between sliding surfaces. Therefore, considering that the energy losses by friction are prompted through phonons, the chemical surface structure between sliding surfaces is very important to determine the friction phenomenon. In this work, we address the issue of friction between a conical diamond tip sliding on different functionalized flat steel surfaces by focusing the influence of the chemical bonds in the outermost layers on the sliding resistance. This geometry allows probing the coupling of the sharp tip with terminator species on the top and underneath material surface at in-depth friction measurements from 20 to 200?nm. Experimentally, the friction coefficient decreases when nitrogen atoms are substituted for oxygen in the iron network. This effect is interpreted as due to energy losses through phonons whilst lower vibrational frequency excitation modes imply lower friction coefficients and a more accurate adjustment is obtained when a theoretical model with longitudinal adsorbate vibration is used.

  2. Strategies to curb structural changes of lithium/transition metal oxide cathode materials & the changes' effects on thermal & cycling stability

    SciTech Connect (OSTI)

    Yu, Xiqian; Hu, Enyuan; Bak, Seongmin; Zhou, Yong -Ning; Yang, Xiao -Qing

    2015-12-07

    Structural transformation behaviors of several typical oxide cathode materials during a heating process are reviewed in detail to provide in-depth understanding of the key factors governing the thermal stability of these materials. Furthermore, we also discuss applying the information about heat induced structural evolution in the study of electrochemically induced structural changes. All these discussions are expected to provide valuable insights for designing oxide cathode materials with significantly improved structural stability for safe, long-life lithium ion batteries, as the safety of lithium-ion batteries is a critical issue. As a result, it is widely accepted that the thermal instability of the cathodes is one of the most critical factors in thermal runaway and related safety problems.

  3. Strategies to curb structural changes of lithium/transition metal oxide cathode materials & the changes' effects on thermal & cycling stability

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

    Yu, Xiqian; Hu, Enyuan; Bak, Seongmin; Zhou, Yong -Ning; Yang, Xiao -Qing

    2015-12-07

    Structural transformation behaviors of several typical oxide cathode materials during a heating process are reviewed in detail to provide in-depth understanding of the key factors governing the thermal stability of these materials. Furthermore, we also discuss applying the information about heat induced structural evolution in the study of electrochemically induced structural changes. All these discussions are expected to provide valuable insights for designing oxide cathode materials with significantly improved structural stability for safe, long-life lithium ion batteries, as the safety of lithium-ion batteries is a critical issue. As a result, it is widely accepted that the thermal instability of themore » cathodes is one of the most critical factors in thermal runaway and related safety problems.« less

  4. Strategies to curb structural changes of lithium/transition metal oxide cathode materials & the changes' effects on thermal & cycling stability

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

    Yu, Xiqian; Hu, Enyuan; Bak, Seongmin; Zhou, Yong -Ning; Yang, Xiao -Qing

    2015-12-07

    Structural transformation behaviors of several typical oxide cathode materials during a heating process are reviewed in detail to provide in-depth understanding of the key factors governing the thermal stability of these materials. Furthermore, we also discuss applying the information about heat induced structural evolution in the study of electrochemically induced structural changes. All these discussions are expected to provide valuable insights for designing oxide cathode materials with significantly improved structural stability for safe, long-life lithium ion batteries, as the safety of lithium-ion batteries is a critical issue. As a result, it is widely accepted that the thermal instability of themore »cathodes is one of the most critical factors in thermal runaway and related safety problems.« less

  5. Chemistry of α-pinene and naphthalene oxidation products generated in a Potential Aerosol Mass (PAM) chamber as measured by acetate chemical ionization mass spectrometry

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

    Chhabra, P. S.; Lambe, A. T.; Canagaratna, M. R.; Stark, H.; Jayne, J. T.; Onasch, T. B.; Davidovits, P.; Kimmel, J. R.; Worsnop, D. R.

    2014-07-01

    Recent developments in high resolution, time-of-flight chemical ionization mass spectrometry (HR-ToF-CIMS) have made possible the direct detection of atmospheric organic compounds in real-time with high sensitivity and with little or no fragmentation, including low volatility, highly oxygenated organic vapors that are precursors to secondary organic aerosol formation. Here, for the first time, we examine gas-phase O3 and OH oxidation products of α-pinene and naphthalene formed in the PAM flow reactor with an HR-ToF-CIMS using acetate reagent ion chemistry. Integrated OH exposures ranged from 1.2 × 1011 to 9.7 × 1011 molec cm−3 s, corresponding to approximately 1.0 to 7.5 daysmore » of equivalent atmospheric oxidation. Measured gas-phase organic acids are similar to those previously observed in environmental chamber studies. For both precursors, we find that acetate-CIMS spectra capture both functionalization (oxygen addition) and fragmentation (carbon loss) as a function of OH exposure. The level of fragmentation is observed to increase with increased oxidation. We present a method that estimates vapor pressures of organic molecules using the measured O/C ratio, H/C ratio, and carbon number for each compound detected by the CIMS. The predicted condensed-phase SOA average acid yields and O/C and H/C ratios agree within uncertainties with previous AMS measurements and ambient CIMS results. While acetate reagent ion chemistry is used to selectively measure organic acids, in principle this method can be applied to additional reagent ion chemistries depending on the application.« less

  6. THE ORIGINS OF LIGHT AND HEAVY R-PROCESS ELEMENTS IDENTIFIED BY CHEMICAL TAGGING OF METAL-POOR STARS

    SciTech Connect (OSTI)

    Tsujimoto, Takuji; Shigeyama, Toshikazu

    2014-11-01

    Growing interests in neutron star (NS) mergers as the origin of r-process elements have sprouted since the discovery of evidence for the ejection of these elements from a short-duration ?-ray burst. The hypothesis of a NS merger origin is reinforced by a theoretical update of nucleosynthesis in NS mergers successful in yielding r-process nuclides with A >130. On the other hand, whether the origin of light r-process elements are associated with nucleosynthesis in NS merger events remains unclear. We find a signature of nucleosynthesis in NS mergers from peculiar chemical abundances of stars belonging to the Galactic globular cluster M15. This finding combined with the recent nucleosynthesis results implies a potential diversity of nucleosynthesis in NS mergers. Based on these considerations, we are successful in the interpretation of an observed correlation between [light r-process/Eu] and [Eu/Fe] among Galactic halo stars and accordingly narrow down the role of supernova nucleosynthesis in the r-process production site. We conclude that the tight correlation by a large fraction of halo stars is attributable to the fact that core-collapse supernovae produce light r-process elements while heavy r-process elements such as Eu and Ba are produced by NS mergers. On the other hand, stars in the outlier, composed of r-enhanced stars ([Eu/Fe] ?+1) such as CS22892-052, were exclusively enriched by matter ejected by a subclass of NS mergers that is inclined to be massive and consist of both light and heavy r-process nuclides.

  7. Trending: Metal Oxo Bonds

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

    in both in technological and biological processes that are often governed by careful control over the physical and chemical properties of metal-oxygen bonds. For example,...

  8. Method for adhesion of metal films to ceramics

    DOE Patents [OSTI]

    Lowndes, D.H.; Pedraza, A.J.; DeSilva, M.J.; Kumar, R.A.

    1997-12-30

    Methods for making strongly bonded metal-ceramic materials are disclosed. The methods include irradiating a portion of the surface of the ceramic material with a pulsed ultraviolet laser having an energy density sufficient to effect activation of the irradiated surface of the ceramic material so that adhesion of metals subsequently deposited onto the irradiated surface is substantially increased. Advantages of the invention include (i) the need for only a small number of laser pulses at relatively low focused energy density, (ii) a smoother substrate surface, (iii) activation of the laser-treated surface which provides a chemical bond between the surface and a metal deposited thereon, (iv) only low temperature annealing is required to produce the strong metal-ceramic bond; (v) the ability to obtain strong adhesion between ceramic materials and oxidation resistant metals; (vi) ability to store the laser treated ceramic materials for later deposition of metals thereon. 7 figs.

  9. Method for adhesion of metal films to ceramics

    DOE Patents [OSTI]

    Lowndes, Douglas H.; Pedraza, Anthony J.; DeSilva, Melvin J.; Kumar, Rajagopalan A.

    1997-01-01

    Methods for making strongly bonded metal-ceramic materials. The methods include irradiating a portion of the surface of the ceramic material with a pulsed ultraviolet laser having an energy density sufficient to effect activation of the irradiated surface of the ceramic material so that adhesion of metals subsequently deposited onto the irradiated surface is substantially increased. Advantages of the invention include (i) the need for only a small number of laser pulses at relatively low focused energy density, (ii) a smoother substrate surface, (iii) activation of the laser-treated surface which provides a chemical bond between the surface and a metal deposited thereon, (iv) only low temperature annealing is required to produce the strong metal-ceramic bond; (v) the ability to obtain strong adhesion between ceramic materials and oxidation resistant metals; (vi) ability to store the laser treated ceramic materials for later deposition of metals thereon.

  10. Operando NMR and XRD study of chemically synthesized LiCx oxidation in a dry room environment

    SciTech Connect (OSTI)

    Sacci, Robert L.; Gill, Lance W.; Hagaman, Edward W.; Dudney, Nancy J.

    2015-08-01

    We test the stability of pre-lithiated graphite anodes for Li-ion batteries in a dry room battery processing room. The reaction between LiCx and laboratory air was followed using operando NMR and x-ray diffraction as these methods are sensitive to change in Li stoichiometry in graphite. There is minimal reactivity between LiC6 and N2, CO2 or O2; however, LiC6 reacts with moisture to form lithium (hydr)oxide. The reaction rate follows zero-order kinetics with respects to intercalated lithium suggesting that lithium transport through the graphite is fast. The reaction mechanism occurs by sequential formation of higher stages LiC12, then LiC18, and then LiC24 as the hydrolysis proceeds to the formation of LixOHy and graphite end products. Slowing down the formation rate of the LixOHy passivation layer stabilizes of the higher stages.

  11. Operando NMR and XRD study of chemically synthesized LiCx oxidation in a dry room environment

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

    Sacci, Robert L.; Gill, Lance W.; Hagaman, Edward W.; Dudney, Nancy J.

    2015-08-01

    We test the stability of pre-lithiated graphite anodes for Li-ion batteries in a dry room battery processing room. The reaction between LiCx and laboratory air was followed using operando NMR and x-ray diffraction as these methods are sensitive to change in Li stoichiometry in graphite. There is minimal reactivity between LiC6 and N2, CO2 or O2; however, LiC6 reacts with moisture to form lithium (hydr)oxide. The reaction rate follows zero-order kinetics with respects to intercalated lithium suggesting that lithium transport through the graphite is fast. The reaction mechanism occurs by sequential formation of higher stages LiC12, then LiC18, and thenmore » LiC24 as the hydrolysis proceeds to the formation of LixOHy and graphite end products. Slowing down the formation rate of the LixOHy passivation layer stabilizes of the higher stages.« less

  12. Wet chemical synthesis of quantum confined nanostructured tin oxide thin films by successive ionic layer adsorption and reaction technique

    SciTech Connect (OSTI)

    Murali, K.V., E-mail: kvmuralikv@gmail.com [School of Pure and Applied Physics, Department of Physics, Kannur University, Kerala 670327 (India); Department of Physics, Nehru Arts and Science College, Kanhangad, Kerala 671314 (India); Ragina, A.J. [School of Pure and Applied Physics, Department of Physics, Kannur University, Kerala 670327 (India); Department of Physics, Nehru Arts and Science College, Kanhangad, Kerala 671314 (India); Preetha, K.C. [School of Pure and Applied Physics, Department of Physics, Kannur University, Kerala 670327 (India); Department of Physics, Sree Narayana College, Kannur, Kerala 670007 (India); Deepa, K.; Remadevi, T.L. [School of Pure and Applied Physics, Department of Physics, Kannur University, Kerala 670327 (India); Department of Physics, Pazhassi Raja N.S.S. College, Mattannur, Kerala 670702 (India)

    2013-09-01

    Graphical abstract: - Highlights: Quantum confined SnO{sub 2} thin films were synthesized at 80 C by SILAR technique. Film formation mechanism is discussed. Films with snow like crystallite morphology offer high specific surface area. The blue-shifted value of band gap confirmed the quantum confinement effect. Present synthesis has advantages low cost, low temperature and green friendly. - Abstract: Quantum confined nanostructured SnO{sub 2} thin films were synthesized at 353 K using ammonium chloride (NH{sub 4}Cl) and other chemicals by successive ionic layer adsorption and reaction technique. Film formation mechanism is discussed. Structural, morphological, optical and electrical properties were investigated and compared with the as-grown and annealed films fabricated without NH{sub 4}Cl solution. SnO{sub 2} films were polycrystalline with crystallites of tetragonal structure with grain sizes lie in the 58 nm range. Films with snow like crystallite morphology offer high specific surface area. The blue-shifted value of band gap of as-grown films confirmed the quantum confinement effect of grains. Refractive index of the films lies in the 2.12.3 range. Films prepared with NH{sub 4}Cl exhibit relatively lower resistivity of the order of 10{sup 0}10{sup ?1} ? cm. The present synthesis has advantages such as low cost, low temperature and green friendly, which yields small particle size, large surfacevolume ratio, and high crystallinity SnO{sub 2} films.

  13. Comprehensive chemical kinetic modeling of the oxidation of C8 and larger n-alkanes and 2-methylalkanes

    SciTech Connect (OSTI)

    Sarathy, S M; Westbrook, C K; Pitz, W J; Mehl, M; Togbe, C; Dagaut, P; Wang, H; Oehlschlaeger, M; NIemann, U; Seshadri, K; Veloo, P S; Ji, C; Egolfopoulos, F; Lu, T

    2011-03-16

    Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed and reduced chemical kinetic mechanism for singly methylated iso-alkanes (i.e., 2-methylalkanes) ranging from C{sub 8} to C{sub 20}. The mechanism also includes an updated version of our previously published C{sub 8} to C{sub 16} n-alkanes model. The complete detailed mechanism contains approximately 7,200 species 31,400 reactions. The proposed model is validated against new experimental data from a variety of fundamental combustion devices including premixed and nonpremixed flames, perfectly stirred reactors and shock tubes. This new model is used to show how the presence of a methyl branch affects important combustion properties such as laminar flame propagation, ignition, and species formation.

  14. Development of Metal Oxide Nanostructure-based Optical Sensors for Fossil Fuel Derived Gases Measurement at High Temperature

    SciTech Connect (OSTI)

    Chen, Kevin

    2014-08-31

    This final technical report details research works performed supported by a Department of Energy grant (DE-FE0003859), which was awarded under the University Coal Research Program administrated by National Energy Technology Laboratory. This research program studied high temperature fiber sensor for harsh environment applications. It developed two fiber optical sensor platform technology including regenerative fiber Bragg grating sensors and distributed fiber optical sensing based on Rayleigh backscattering optical frequency domain reflectometry. Through the studies of chemical and thermal regenerative techniques for fiber Bragg grating (FBG) fabrication, high-temperature stable FBG sensors were successfully developed and fabricated in air-hole microstructured fibers, high-attenuation fibers, rare-earth doped fibers, and standard telecommunication fibers. By optimizing the laser processing and thermal annealing procedures, fiber grating sensors with stable performance up to 1100oC have been developed. Using these temperature-stable FBG gratings as sensor platform, fiber optical flow, temperature, pressure, and chemical sensors have been developed to operate at high temperatures up to 800oC. Through the integration of on-fiber functional coating, the use of application-specific air-hole microstructural fiber, and application of active fiber sensing scheme, distributed fiber sensor for temperature, pressure, flow, liquid level, and chemical sensing have been demonstrated with high spatial resolution (1-cm or better) with wide temperature ranges. These include the demonstration of 1) liquid level sensing from 77K to the room temperature, pressure/temperature sensing from the room temperature to 800C and from the 15psi to 2000 psi, and hydrogen concentration measurement from 0.2% to 10% with temperature ranges from the room temperature to 700C. Optical sensors developed by this program has broken several technical records including flow sensors with the highest operation temperature up to 750oC, first distributed chemical measurements at the record high temperature up to 700oC, first distributed pressure measurement at the record high temperature up to 800oC, and the fiber laser sensors with the record high operation temperature up to 700oC. The research performed by this program dramatically expand the functionality, adaptability, and applicability of distributed fiber optical sensors with potential applications in a number of high-temperature energy systems such as fossil-fuel power generation, high-temperature fuel cell applications, and potential for nuclear energy systems.

  15. Low-temperature growth and orientational control in RuO{sub 2} thin films by metal-organic chemical vapor deposition

    SciTech Connect (OSTI)

    Bai, G.R.; Wang, A.; Foster, C.M.; Vetrone, J.; Patel, J.; Wu, X.

    1996-08-01

    For growth temperatures in the range of 275 C to 425 C, highly conductive RuO{sub 2} thin films with either (110)- or (101)-textured orientations have been grown by metal-organic chemical vapor deposition (MOCVD) on both SiO{sub 2}/Si(001) and Pt/Ti/SiO{sub 2}/Si(001) substrates. Both the growth temperature and growth rate were used to control the type and degree of orientational texture of the RuO{sub 2} films. In the upper part of this growth temperature range ({approximately} 350 C) and at a low growth rate (< 30 {angstrom}/min.), the RuO{sub 2} films favored a (110)-textured. In contrast, at the lower part of this growth temperature range ({approximately} 300 C) and at a high growth rate (> 30 {angstrom}/min.), the RuO{sub 2} films favored a (101)-textured. In contrast, a higher growth temperatures (> 425 C) always produced randomly-oriented polycrystalline films. For either of these low-temperature growth processes, the films produced were crack-free, well-adhered to the substrates, and had smooth, specular surfaces. Atomic force microscopy showed that the films had a dense microstructure with an average grain size of 50--80 nm and a rms. surface roughness of {approximately} 3--10 nm. Four-probe electrical transport measurements showed that the films were highly conductive with resistivities of 34--40 {micro}{Omega}-cm ({at} 25 C).

  16. Enhanced stability against bias-stress of metal-oxide thin film transistors deposited at elevated temperatures

    SciTech Connect (OSTI)

    Fakhri, M.; Goerrn, P.; Riedl, T. [Institute of Electronic Devices, University of Wuppertal, Rainer-Gruenter-St. 21, 42119 Wuppertal (Germany); Weimann, T.; Hinze, P. [Physikalisch-Technische Bundesanstalt Braunschweig, Bundesallee 100, 38116 Braunschweig (Germany)

    2011-09-19

    Transparent zinc-tin-oxide (ZTO) thin film transistors (TFTs) have been prepared by DC magnetron sputtering. Compared to reference devices with a channel deposited at room temperature and subsequently annealing at 400 deg. C, a substantially enhanced stability against bias stress is evidenced for devices with in-situ substrate heating during deposition (400 deg. C). A reduced density of sub-gap defect states in TFT channels prepared with in-situ substrate heating is found. Concomitantly, a reduced sensitivity to the adsorption of ambient gases is evidenced for the in-situ heated devices. This finding is of particular importance for an application as driver electronics for organic light emitting diode displays.

  17. Light-induced hysteresis and recovery behaviors in photochemically activated solution-processed metal-oxide thin-film transistors

    SciTech Connect (OSTI)

    Jo, Jeong-Wan; Park, Sung Kyu E-mail: skpark@cau.ac.kr; Kim, Yong-Hoon E-mail: skpark@cau.ac.kr

    2014-07-28

    In this report, photo-induced hysteresis, threshold voltage (V{sub T}) shift, and recovery behaviors in photochemically activated solution-processed indium-gallium-zinc oxide (IGZO) thin-film transistors (TFTs) are investigated. It was observed that a white light illumination caused negative V{sub T} shift along with creation of clockwise hysteresis in electrical characteristics which can be attributed to photo-generated doubly ionized oxygen vacancies at the semiconductor/gate dielectric interface. More importantly, the photochemically activated IGZO TFTs showed much reduced overall V{sub T} shift compared to thermally annealed TFTs. Reduced number of donor-like interface states creation under light illumination and more facile neutralization of ionized oxygen vacancies by electron capture under positive gate potential are claimed to be the origin of the less V{sub T} shift in photochemically activated TFTs.

  18. Heteroepitaxial growth of highly conductive metal oxide RuO{sub 2} thin films by pulsed laser deposition

    SciTech Connect (OSTI)

    Jia, Q.X.; Wu, X.D.; Foltyn, S.R.; Findikoglu, A.T.; Tiwari, P.; Zheng, J.P.; Jow, T.R.

    1995-09-18

    Highly conductive ruthenium oxide (RuO{sub 2}) has been epitaxially grown on LaAlO{sub 3} substrates by pulsed laser deposition. The RuO{sub 2} film is ({ital h}00) oriented normal to the substrate surface. The heteroepitaxial growth of RuO{sub 2} on LaAlO{sub 3} is demonstrated by the strong in-plane orientation of thin films with respect to the major axes of the substrate. High crystallinity of RuO{sub 2} thin films is also determined from Rutherford backscattering channeling measurements. Electrical measurements on the RuO{sub 2} thin films demonstrate a quite low room-temperature resistivity of 35{plus_minus}2 {mu}{Omega} cm at deposition temperatures of above 500 {degree}C. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  19. Mesoporous Silica-Supported Metal Oxide-Promoted Rh Nanocatalyst for Selective Production of Ethanol from Syngas

    SciTech Connect (OSTI)

    George Kraus

    2010-09-30

    The objective is to develop a process that will convert synthesis gas from coal into ethanol and then transform the ethanol into hydrogen. Principal investigators from Iowa State University include Dr. George Kraus, Dr. Victor Lin, Marek Pruski, and Dr. Robert Brown. Task 1 involves catalyst development and catalyst scale up. Mesoporous manganese silicate mixed oxide materials will be synthesized, characterized and evaluated. The first-and secondgeneration catalysts have been prepared and scaled up for use in Task 2. The construction of a high-pressure reactor system for producing synthetic liquid fuel from simulated synthesis gas stream has been completed as the first step in Task 2. Using the first- and second generation catalysts, the reactor has demonstrated the production of synthetic liquid fuel from a simulated synthesis gas stream.

  20. Correlation of Chemisorption and Electronic Effects for Metal Oxide Interfaces: Transducing Principles for Temperature Programmed Gas Microsensors

    SciTech Connect (OSTI)

    Dr. Steve Semancik

    2002-01-03

    The spectrum of chemical monitoring problems faced by the Department of Energy at its hazardous waste sites is formidable. It is likely that a variety of existing types of instrumentation will be applied in the years ahead, with varying degrees of practicality and success. A tremendous impact could be realized, however, if instrumental methods could be supplemented by a low-cost, reliable sensing technology for continuous monitoring of a range of species, including, for example, volatile organics, chlorinated hydrocarbons, ammonia, and hydrogen. To meed the diverse gas and vapor monitoring needs at ODE hazardous waste sites, the sensing system must offer, inherently, and adaptability to match the wide variety of analytes and environmental conditions that well be encountered (in tank vapor spaces, and at locations with contaminated soil or groundwater.) The purpose of this project was to investigate scientific and technical concepts that could enable a MEMS-based chemical sensing technology (developed in its foundational form at NIST during early and mid 1990's) to be made tunable for multiple target analytes in differing types of backgrounds relevant to DOE waste storage and remediation

  1. Chemically bonded phospho-silicate ceramics

    DOE Patents [OSTI]

    Wagh, Arun S. (Orland Park, IL); Jeong, Seung Y. (Westmont, IL); Lohan, Dirk (Chicago, IL); Elizabeth, Anne (Chicago, IL)

    2003-01-01

    A chemically bonded phospho-silicate ceramic formed by chemically reacting a monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and a sparsely soluble oxide, with a sparsely soluble silicate in an aqueous solution. The monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and sparsely soluble oxide are both in powder form and combined in a stochiometric molar ratio range of (0.5-1.5):1 to form a binder powder. Similarly, the sparsely soluble silicate is also in powder form and mixed with the binder powder to form a mixture. Water is added to the mixture to form a slurry. The water comprises 50% by weight of the powder mixture in said slurry. The slurry is allowed to harden. The resulting chemically bonded phospho-silicate ceramic exhibits high flexural strength, high compression strength, low porosity and permeability to water, has a definable and bio-compatible chemical composition, and is readily and easily colored to almost any desired shade or hue.

  2. CO oxidation on gold-supported iron oxides: New insights into...

    Office of Scientific and Technical Information (OSTI)

    CO oxidation on gold-supported iron oxides: New insights into strong oxide-metal ... This content will become publicly available on July 14, 2016 Title: CO oxidation on gold-s...

  3. Chemical Looping Combustion Reactions and Systems

    SciTech Connect (OSTI)

    Sarofim, Adel; Lighty, JoAnn; Smith, Philip; Whitty, Kevin; Eyring, Edward; Sahir, Asad; Alvarez, Milo; Hradisky, Michael; Clayton, Chris; Konya, Gabor; Baracki, Richard; Kelly, Kerry

    2011-07-01

    Chemical Looping Combustion (CLC) is one promising fuel-combustion technology, which can facilitate economic CO2 capture in coal-fired power plants. It employs the oxidation/reduction characteristics of a metal, or oxygen carrier, and its oxide, the oxidizing gas (typically air) and the fuel source may be kept separate. This work focused on two classes of oxygen carrier, one that merely undergoes a change in oxidation state, such as Fe3O4/Fe2O3 and one that is converted from its higher to its lower oxidation state by the release of oxygen on heating, i.e., CuO/Cu2O. This topical report discusses the results of four complementary efforts: (1) the development of process and economic models to optimize important design considerations, such as oxygen carrier circulation rate, temperature, residence time; (2) the development of high-performance simulation capabilities for fluidized beds and the collection, parameter identification, and preliminary verification/uncertainty quantification (3) the exploration of operating characteristics in the laboratory-scale bubbling bed reactor, with a focus on the oxygen carrier performance, including reactivity, oxygen carrying capacity, attrition resistance, resistance to deactivation, cost and availability (4) the identification of mechanisms and rates for the copper, cuprous oxide, and cupric oxide system using thermogravimetric analysis.

  4. Correlation of Chemisorption and Electronic Effects for Metal Oxide Interfaces: Transducing Principles for Temperature Programmed Gas Microsensors (Final Report)

    SciTech Connect (OSTI)

    S. Semancik; R. E. Cavicchi; D. L. DeVoe; T. J. McAvoy |

    2001-12-21

    This Final Report describes efforts and results for a 3-year DoE/OST-EMSP project centered at NIST. The multidisciplinary project investigated scientific and technical concepts critical for developing tunable, MEMS-based, gas and vapor microsensors that could be applied for monitoring the types of multiple analytes (and differing backgrounds) encountered at DoE waste sites. Micromachined ''microhotplate'' arrays were used as platforms for fabricating conductometric sensor prototypes, and as microscale research tools. Efficient microarray techniques were developed for locally depositing and then performance evaluating thin oxide films, in order to correlate gas sensing characteristics with properties including composition, microstructure, thickness and surface modification. This approach produced temperature-dependent databases on the sensitivities of sensing materials to varied analytes (in air) which enable application-specific tuning of microsensor arrays. Mechanistic studies on adsorb ate transient phenomena were conducted to better understand the ways in which rapid temperature programming schedules can be used to produce unique response signatures and increase information density in microsensor signals. Chemometric and neural network analyses were also employed in our studies for recognition and quantification of target analytes.

  5. Process for making transition metal nitride whiskers

    DOE Patents [OSTI]

    Bamberger, Carlos E. (Oak Ridge, TN)

    1989-01-01

    A process for making metal nitrides, particularly titanium nitride whiskers, using a cyanide salt as a reducing agent for a metal compound in the presence of an alkali metal oxide. Sodium cyanide, various titanates and titanium oxide mixed with sodium oxide react to provide titanium nitride whiskers that can be used as reinforcement to ceramic composites.

  6. Process for making transition metal nitride whiskers

    DOE Patents [OSTI]

    Bamberger, C.E.

    1988-04-12

    A process for making metal nitrides, particularly titanium nitride whiskers, using a cyanide salt as a reducing agent for a metal compound in the presence of an alkali metal oxide. Sodium cyanide, various titanates and titanium oxide mixed with sodium oxide react to provide titanium nitride whiskers that can be used as reinforcement to ceramic composites. 1 fig., 1 tab.

  7. Patent: Electroactive compositions with poly(arylene oxide) and stabilized

    Office of Scientific and Technical Information (OSTI)

    lithium metal particles | DOEpatents Electroactive compositions with poly(arylene oxide) and stabilized lithium metal particles Citation Details Title: Electroactive compositions with poly(arylene oxide) and stabilized lithium metal particles

  8. Synthesis, structure elucidation and redox properties of 99Tc complexes of lacunary Wells Dawson polyoxometalates: insights into molecular 99Tc - metal oxide interactions

    SciTech Connect (OSTI)

    McGregor, Donna; Burton-Pye, Benjamin P.; Howell, Robertha C.; Mbomekalle, Israel M.; Lukens Jr, Wayne W.; Bian, Fang; Mausolf, Edward; Poineau, Frederic; Czerwinski, Kenneth R; Francesconi, Lynn C.

    2011-01-10

    The isotope 99Tc (beta max: 250 keV, half-life: 2 x 105 year) is an abundant product of uranium-235 fission in nuclear reactors and is present throughout the radioactive waste stored in underground tanks at Hanford and Savannah River. Understanding and controlling the extensive redox chemistry of 99Tc is important to identify tunable strategies to separate 99Tc from spent fuel and from waste tanks and once separated, to identify and develop an appropriately stable waste-form for 99Tc. Polyoxometalates (POMs), nanometer sized models for metal oxide solid-state materials, are used in this study to provide a molecular level understanding of the speciation and redox chemistry of incorporated 99Tc. In this study, 99Tc complexes of the (alpha 2-P2W17O61)10- and (alpha 1-P2W17O61)10- isomers were prepared. Ethylene glycol was used as a"transfer ligand" to minimize the formation of TcO2 cdot xH2O. The solution structures, formulations, and purity of TcVO(alpha 1/alpha 2-P2W17O61)7- were determined by multinuclear NMR. X-ray Absorption Spectroscopy of the complexes are in agreement with the formulation and structures determined from 31P and 183W NMR. Preliminary electrochemistry results are consistent with the EXAFS results, showing a facile reduction of the TcVO(alpha 1-P2W17O61)7- species compared to the TcVO(alpha 2-P2W17O61)7- analog. The alpha1- defect is unique in that a basic oxygen atom is positioned toward the alpha1- site and the TcVO center appears to form a dative metal-metal bond with a framework W site. These attributes may lead to the assistance of protonation events that facilitate reduction. Electrochemistry comparison shows that the ReV analogs are about 200 mV more difficult to reduce in accordance with periodic trends.

  9. Method for producing metallic microparticles

    DOE Patents [OSTI]

    Phillips, Jonathan; Perry, William L.; Kroenke, William J.

    2004-06-29

    Method for producing metallic particles. The method converts metallic nanoparticles into larger, spherical metallic particles. An aerosol of solid metallic nanoparticles and a non-oxidizing plasma having a portion sufficiently hot to melt the nanoparticles are generated. The aerosol is directed into the plasma where the metallic nanoparticles melt, collide, join, and spheroidize. The molten spherical metallic particles are directed away from the plasma and enter the afterglow where they cool and solidify.

  10. Method for producing metallic nanoparticles

    DOE Patents [OSTI]

    Phillips, Jonathan; Perry, William L.; Kroenke, William J.

    2004-02-10

    Method for producing metallic nanoparticles. The method includes generating an aerosol of solid metallic microparticles, generating non-oxidizing plasma with a plasma hot zone at a temperature sufficiently high to vaporize the microparticles into metal vapor, and directing the aerosol into the hot zone of the plasma. The microparticles vaporize in the hot zone to metal vapor. The metal vapor is directed away from the hot zone and to the plasma afterglow where it cools and condenses to form solid metallic nanoparticles.

  11. Oxidative homo-coupling reactions of aryl boronic acids using a porous copper metal-organic framework as a highly efficient heterogeneous catalyst

    DOE Patents [OSTI]

    Yaghi, Omar M.; Czaja, Alexander U.; Wang, Bo; Lu, Zheng

    2015-06-02

    The disclosure provides methods for the use of open metal frameworks to catalyze coupling reactions.

  12. Vapor phase modifiers for oxidative coupling

    DOE Patents [OSTI]

    Warren, Barbara K. (Charleston, WV)

    1991-01-01

    Volatilized metal compounds retard vapor phase alkane conversion reactions in oxidative coupling processes that convert lower alkanes to higher hydrocarbons.

  13. Oxidative particle mixtures for groundwater treatment

    DOE Patents [OSTI]

    Siegrist, Robert L. (Boulder, CO); Murdoch, Lawrence C. (Clemson, SC)

    2000-01-01

    The invention is a method and a composition of a mixture for degradation and immobilization of contaminants in soil and groundwater. The oxidative particle mixture and method includes providing a material having a minimal volume of free water, mixing at least one inorganic oxidative chemical in a granular form with a carrier fluid containing a fine grained inorganic hydrophilic compound and injecting the resulting mixture into the subsurface. The granular form of the inorganic oxidative chemical dissolves within the areas of injection, and the oxidative ions move by diffusion and/or advection, therefore extending the treatment zone over a wider area than the injection area. The organic contaminants in the soil and groundwater are degraded by the oxidative ions, which form solid byproducts that can sorb significant amounts of inorganic contaminants, metals, and radionuclides for in situ treatment and immobilization of contaminants. The method and composition of the oxidative particle mixture for long-term treatment and immobilization of contaminants in soil and groundwater provides for a reduction in toxicity of contaminants in a subsurface area of contamination without the need for continued injection of treatment material, or for movement of the contaminants, or without the need for continuous pumping of groundwater through the treatment zone, or removal of groundwater from the subsurface area of contamination.

  14. Theory of the electronic and structural properties of solid state oxides

    SciTech Connect (OSTI)

    Chelikowsky, J.R.

    1990-01-01

    Studies on electronic and structural properties of solid state oxides continued. This quarter, studies have concentrated on silica. Progress is discussed in the following sections: interatomic potentials and the structural properties of silica; chemical reactivity and covalent/metallic bonding on Si clusters; and surface and thermodynamic interatomic forces fields for silicon. 64 refs., 20 figs., 5 tabs. (CBS)

  15. Alkali metal ion battery with bimetallic electrode

    DOE Patents [OSTI]

    Boysen, Dane A; Bradwell, David J; Jiang, Kai; Kim, Hojong; Ortiz, Luis A; Sadoway, Donald R; Tomaszowska, Alina A; Wei, Weifeng; Wang, Kangli

    2015-04-07

    Electrochemical cells having molten electrodes having an alkali metal provide receipt and delivery of power by transporting atoms of the alkali metal between electrode environments of disparate chemical potentials through an electrochemical pathway comprising a salt of the alkali metal. The chemical potential of the alkali metal is decreased when combined with one or more non-alkali metals, thus producing a voltage between an electrode comprising the molten the alkali metal and the electrode comprising the combined alkali/non-alkali metals.

  16. Method of forming supported doped palladium containing oxidation catalysts

    DOE Patents [OSTI]

    Mohajeri, Nahid

    2014-04-22

    A method of forming a supported oxidation catalyst includes providing a support comprising a metal oxide or a metal salt, and depositing first palladium compound particles and second precious metal group (PMG) metal particles on the support while in a liquid phase including at least one solvent to form mixed metal comprising particles on the support. The PMG metal is not palladium. The mixed metal particles on the support are separated from the liquid phase to provide the supported oxidation catalyst.

  17. Degenerate doping of metallic anodes

    DOE Patents [OSTI]

    Friesen, Cody A; Zeller, Robert A; Johnson, Paul B; Switzer, Elise E

    2015-05-12

    Embodiments of the invention relate to an electrochemical cell comprising: (i) a fuel electrode comprising a metal fuel, (ii) a positive electrode, (iii) an ionically conductive medium, and (iv) a dopant; the electrodes being operable in a discharge mode wherein the metal fuel is oxidized at the fuel electrode and the dopant increases the conductivity of the metal fuel oxidation product. In an embodiment, the oxidation product comprises an oxide of the metal fuel which is doped degenerately. In an embodiment, the positive electrode is an air electrode that absorbs gaseous oxygen, wherein during discharge mode, oxygen is reduced at the air electrode. Embodiments of the invention also relate to methods of producing an electrode comprising a metal and a doped metal oxidation product.

  18. Corrosion protective coating for metallic materials

    DOE Patents [OSTI]

    Buchheit, R.G.; Martinez, M.A.

    1998-05-26

    Corrosion protective coatings for metallic materials, particularly aluminum and aluminum alloys, produced with simple, low-cost equipment and materials other than toxic metals or metal salts, or metal cyanides is disclosed. The metallic material is cleaned, degreased, and deoxidized, the surface is converted to a substantially alkaline condition, and the surface is chemically sealed with inorganic metal compounds. 1 fig.

  19. Corrosion protective coating for metallic materials

    DOE Patents [OSTI]

    Buchheit, Rudolph G. (Albuquerque, NM); Martinez, Michael A. (Albuquerque, NM)

    1998-01-01

    Corrosion protective coatings for metallic materials, particularly aluminum and aluminum alloys, produced with simple, low-cost equipment and materials other than toxic metals or metal salts, or metal cyanides. The metallic material is cleaned, degreased, and deoxidized, the surface is converted to a substantially alkaline condition, and the surface is chemically sealed with inorganic metal compounds.

  20. Sample size requirements for estimating effective dose from computed tomography using solid-state metal-oxide-semiconductor field-effect transistor dosimetry

    SciTech Connect (OSTI)

    Trattner, Sigal; Cheng, Bin; Pieniazek, Radoslaw L.; Hoffmann, Udo; Douglas, Pamela S.; Einstein, Andrew J.

    2014-04-15

    Purpose: Effective dose (ED) is a widely used metric for comparing ionizing radiation burden between different imaging modalities, scanners, and scan protocols. In computed tomography (CT), ED can be estimated by performing scans on an anthropomorphic phantom in which metal-oxide-semiconductor field-effect transistor (MOSFET) solid-state dosimeters have been placed to enable organ dose measurements. Here a statistical framework is established to determine the sample size (number of scans) needed for estimating ED to a desired precision and confidence, for a particular scanner and scan protocol, subject to practical limitations. Methods: The statistical scheme involves solving equations which minimize the sample size required for estimating ED to desired precision and confidence. It is subject to a constrained variation of the estimated ED and solved using the Lagrange multiplier method. The scheme incorporates measurement variation introduced both by MOSFET calibration, and by variation in MOSFET readings between repeated CT scans. Sample size requirements are illustrated on cardiac, chest, and abdomenpelvis CT scans performed on a 320-row scanner and chest CT performed on a 16-row scanner. Results: Sample sizes for estimating ED vary considerably between scanners and protocols. Sample size increases as the required precision or confidence is higher and also as the anticipated ED is lower. For example, for a helical chest protocol, for 95% confidence and 5% precision for the ED, 30 measurements are required on the 320-row scanner and 11 on the 16-row scanner when the anticipated ED is 4 mSv; these sample sizes are 5 and 2, respectively, when the anticipated ED is 10 mSv. Conclusions: Applying the suggested scheme, it was found that even at modest sample sizes, it is feasible to estimate ED with high precision and a high degree of confidence. As CT technology develops enabling ED to be lowered, more MOSFET measurements are needed to estimate ED with the same precision and confidence.