Focus Session: New Energy III

Presentations

• Tailoring Surface Chemical Properties Using Electronic Structure Theory

  COFFEE_KLATCH · Invited

  Feb. 28, 2012, 11:15 AM – Feb. 28, 2012, 11:51 AM

  Authors

  • Jens K. Norskov

    • SUNCAT Center for Interface Science and Catalysis, SLAC, Stanford University
    • Stanford University
    • SUNCAT, SLAC, Stanford, CA 94025

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• Ab initio reaction pathways for dissociative adsorption of dioxygen on Al (111)

  ORAL

  Feb. 28, 2012, 11:51 AM – Feb. 28, 2012, 12:03 PM

  Authors

  • Florian Libisch

    • Dep. of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ

  • Chen Huang

    • Dep. of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ

  • Peilin Liao

    • Dep. of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ

  • Michele Pavone

    • Dep. of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ

  • Emily Carter

    • Dep. of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ

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• Alkane and CO$_{2}$ Activation by Modified Oxide Catalysts

  COFFEE_KLATCH · Invited

  Feb. 28, 2012, 12:03 PM – Feb. 28, 2012, 12:39 PM

  Authors

  • Horia Metiu

    • University of California, Santa Barbara

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• First-principles calculations of Fischer-Tropsch processes catalyzed by nitrogenase enzymes

  ORAL

  Feb. 28, 2012, 12:39 PM – Feb. 28, 2012, 12:51 PM

  Authors

  • Joel Varley

    • University of California, Santa Barbara
    • Stanford University

  • Lars Grabow

    • Stanford University

  • Jens K. Norskov

    • SUNCAT Center for Interface Science and Catalysis, SLAC, Stanford University
    • Stanford University
    • SUNCAT, SLAC, Stanford, CA 94025

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• Low-temperature dehydrogenation catalysis of isophorone (C$_9$H$_{14}$O) on Pd(111)

  ORAL

  Feb. 28, 2012, 12:51 PM – Feb. 28, 2012, 1:03 PM

  Authors

  • Wei Liu

    • Fritz-Haber-Institut der MPG, Berlin, Germany
    • Fritz-Haber-Institut der MPG

  • Wei Liu

    • Fritz-Haber-Institut der MPG, Berlin, Germany

  • Aditya Savara

    • Fritz-Haber-Institut der MPG, Berlin, Germany

  • Wiebke Ludwig

    • Fritz-Haber-Institut der MPG, Berlin, Germany

  • Karl-Heinz Dostert

    • Fritz-Haber-Institut der MPG, Berlin, Germany

  • Swetlana Schauermann

    • Fritz-Haber-Institut der MPG, Berlin, Germany

  • Alexandre Tkatchenko

    • Fritz-Haber-Institut der MPG, Berlin, Germany

  • Hans-Joachim Freund

    • Fritz-Haber-Institut der MPG, Berlin, Germany

  • Matthias Scheffler

    • Fritz-Haber-Institut der MPG, Berlin, Germany

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• Interfacial binding in catalytic and photovoltaic materials, and the energetics of elementary surface processes during catalytic fuels production and utilization

  COFFEE_KLATCH · Invited

  Feb. 28, 2012, 1:03 PM – Feb. 28, 2012, 1:39 PM

  Authors

  • Charles T. Campbell

    • University of Washington

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• Ab initio modeling of EXAFS spectra of nanoparticles

  ORAL

  Feb. 28, 2012, 1:39 PM – Feb. 28, 2012, 1:51 PM

  Authors

  • Samuel Chill

    • The University of Texas

  • Aaron Yevik

    • Yeshiva University

  • Anatoly Frenkel

    • Yeshiva University

  • Graeme Henkelman

    • The University of Texas

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• Predicting the Catalytic Reactions using Random Phase Approximation

  ORAL

  Feb. 28, 2012, 1:51 PM – Feb. 28, 2012, 2:03 PM

  Authors

  • J. Yan

    • SUNCAT Center for Interface Science and Catalysis, SLAC, Stanford University

  • T. Olsen

    • Center for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark

  • J.J. Mortensen

    • Center for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark

  • K.W. Jacobsen

    • Center for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark

  • K.S. Thygesen

    • Center for Atomic-Scale Materials Design, Department of Physics, Technical University of Denmark

  • Frank Abild-Pedersen

    • SUNCAT Center for Interface Science and Catalysis, SLAC, Stanford University
    • SUNCAT Center for Interface Science and Catalysis Photon Science, SLAC National Accelerator Laboratory

  • Jens K. Norskov

    • SUNCAT Center for Interface Science and Catalysis, SLAC, Stanford University
    • Stanford University
    • SUNCAT, SLAC, Stanford, CA 94025

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• In situ XAS of Pt monolayer model fuel cell catalysts: balance of na-nostructure and bimetallic interactions

  ORAL

  Feb. 28, 2012, 2:03 PM – Feb. 28, 2012, 2:15 PM

  Authors

  • Daniel Friebel

    • SLAC National Accelerator Laboratory

  • Venkat Viswanathan

    • SUNCAT Center for Interface Science and Catalysis

  • Ask Larsen

    • CAMD, Technical University of Denmark

  • Daniel J. Miller

    • SLAC National Accelerator Laboratory

  • Hirohito Ogasawara

    • SLAC National Accelerator Laboratory

  • Toyli Anniyev

    • None

  • Christopher P. O'Grady

    • SUNCAT Center for Interface Science and Catalysis

  • Jens N{\O}rskov

    • SUNCAT Center for Interface Science and Catalysis

  • Anders Nilsson

    • SLAC National Accelerator Laboratory

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