Focus Session: Physics of Energy Storage Materials - Catalysis and H2 Storage

Presentations

• Design Principles for Oxygen Reduction and Evolution on Oxide Catalysts

  COFFEE_KLATCH · Invited

  Feb. 27, 2012, 2:30 PM – Feb. 27, 2012, 3:06 PM

  Authors

  • Yang Shao-Horn

    • Massachusetts Institute of Technology

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• Modeling of hydrogen evolution reaction on the surface of GaInP$_{2}$

  ORAL

  Feb. 27, 2012, 3:06 PM – Feb. 27, 2012, 3:18 PM

  Authors

  • Woon Ih Choi

    • LLNL

  • Brandon Wood

    • LLNL

  • Eric Schwegler

    • Lawrence Livermore National Laboratory
    • LLNL
    • Lawrence Livermore National Laboratory, Livermore, California, 94550

  • Tadashi Ogitsu

    • LLNL

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• ABSTRACT WITHDRAWN

  Feb. 27, 2012, 3:18 PM – Feb. 27, 2012, 3:30 PM

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• In situ Raman Evidence for Reversible Room-Temperature Hydrogenation in Pt-doped Carbons

  ORAL

  Feb. 27, 2012, 3:30 PM – Feb. 27, 2012, 3:42 PM

  Authors

  • Xiaoming Liu

    • PSU Materials Research Laboratory

  • Youjian Tang

    • PSU Department of Physics

  • Enshi Xu

    • PSU Department of Physics

  • Thomas Fitzgibbons

    • PSU Department of Chemistry

  • Huan-Hsiung Tseng

    • Taiwan Institute of Nuclear Energy Research

  • Ming-Sheng Yu

    • Taiwan Institute of Nuclear Energy Research

  • Cheng-Si Tsao

    • Taiwan Institute of Nuclear Energy Research

  • John Badding

    • PSU Department of Chemistry

  • Vincent Crespi

    • PSU Department of Physics

  • Angela Lueking

    • PSU Department of Chemical Engineering and EMS Energy Institute

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• Hydrogen storage on calcium coated boron (hetero-)fullerenes: A DFT study

  ORAL

  Feb. 27, 2012, 3:42 PM – Feb. 27, 2012, 3:54 PM

  Authors

  • Suleyman Er

    • Harvard University

  • Geert Brocks

    • University of Twente

  • Gilles A. de Wijs

    • ESM, IMM, Radboud University
    • Radboud University Nijmegen

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• Role of nano in catalysis: Pd catalyzed H desorption from MgH$_{2}$

  ORAL

  Feb. 27, 2012, 3:54 PM – Feb. 27, 2012, 4:06 PM

  Authors

  • Weiyu Xie

    • Rensselaer Polytech Inst

  • Damien West

    • Rensselaer Polytech Inst

  • Yiyang Sun

    • Rensselaer Polytech Inst

  • Shengbai Zhang

    • Rensselaer Polytech Inst

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• Particle-size dependence of the activation energy for decomposition of lithium amide

  ORAL

  Feb. 27, 2012, 4:06 PM – Feb. 27, 2012, 4:18 PM

  Authors

  • C.G. Van de Walle

    • Materials Department, University of California, Santa Barbara
    • Materials Department, University of California Santa Barbara
    • University of California, Santa Barbara
    • Materials Department, University of California Santa Barbara, CA 93106-5050
    • Materials Department, University of California at Santa Barbara
    • Materials Department, University of California, Santa Barbara, California, CA

  • Khang Hoang

    • Naval Research Laboratory

  • Anderson Janotti

    • University of California, Santa Barbara
    • Materials Department, University of California, Santa Barbara
    • University of California Santa Barbara

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• Deliquescence of NaBH$_4$ computed from density functional theory

  ORAL

  Feb. 27, 2012, 4:18 PM – Feb. 27, 2012, 4:30 PM

  Authors

  • Ping Li

    • University of Pittsburgh

  • Wissam Al-Saidi

    • Department of Chemical and Petroleum Engineering, University of Pittsburgh
    • University of Pittsburgh

  • Karl Johnson

    • University of Pittsburgh

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• Electronic Structure and Molecular Dynamics Calculations for KBH$_{4}$

  ORAL

  Feb. 27, 2012, 4:30 PM – Feb. 27, 2012, 4:42 PM

  Authors

  • Dimitrios Papaconstantopoulos

    • George Mason University

  • Andrew Shabaev

    • George Mason University

  • Khang Hoang

    • George Mason University

  • Michael Mehl

    • Naval Research Laboratory

  • Nicholas Kioussis

    • UC at Northridge

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• Dehydrogenation of LiBH$_4$ nanoclusters: A first-principles study

  ORAL

  Feb. 27, 2012, 4:42 PM – Feb. 27, 2012, 4:54 PM

  Authors

  • Ebrahim Hazrati

    • ESM, IMM, Radboud University

  • Filipe Vasconcelos

    • ESM, IMM, Radboud University

  • Geert Brocks

    • CMS, University of Twente

  • Robert de Groot

    • ESM, IMM, Radboud University

  • Gilles A. de Wijs

    • ESM, IMM, Radboud University
    • Radboud University Nijmegen

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• First-principles Modeling of Diffusion during Hydrogenation of LiBH$_4$

  ORAL

  Feb. 27, 2012, 4:54 PM – Feb. 27, 2012, 5:06 PM

  Authors

  • Chao Yu

    • Department of Materials Science and Engineering, University of California, Los Angeles

  • Vidvuds Ozolins

    • University of California, Los Angeles
    • UCLA
    • Department of Materials Science and Engineering, University of California, Los Angeles
    • Dept of Materials Science and Engineering, University of California, Los Angeles

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• Bulk diffusion of defects in LiAlH4/Li3AlH6

  ORAL

  Feb. 27, 2012, 5:06 PM – Feb. 27, 2012, 5:18 PM

  Authors

  • Biljana Rolih

    • UCLA

  • Vidvuds Ozolins

    • University of California, Los Angeles
    • UCLA
    • Department of Materials Science and Engineering, University of California, Los Angeles
    • Dept of Materials Science and Engineering, University of California, Los Angeles

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• First-Principles Study of the Li-Na-Ca-N-H System: Compound Structures and Hydrogen-Storage Properties

  ORAL

  Feb. 27, 2012, 5:18 PM – Feb. 27, 2012, 5:30 PM

  Authors

  • Pattanasak Teeratchanan

    • University of California, Los Angeles

  • Fei Zhou

    • University of California, Los Angeles

  • Kyle Michel

    • Northwestern University

  • Vidvuds Ozolins

    • University of California, Los Angeles
    • UCLA
    • Department of Materials Science and Engineering, University of California, Los Angeles
    • Dept of Materials Science and Engineering, University of California, Los Angeles

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