Surface Reactions and Dynamics

Presentations

• Scanning Tunneling Microscopy Study of CO diffusion on stepped Pt(111) surface

  ORAL

  March 18, 2010, 8:00 AM – March 18, 2010, 8:12 AM

  Authors

  • Kedong Wang

    • Department of Physics, The Chinese University of Hong Kong

  • Xudong Xiao

    • Department of Physics, The Chinese University of Hong Kong
    • The Chinese University of Hong Kong

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• Electric Field-Induced Dissociation of NH$_3$ on Ru(0001) from First Principles

  ORAL

  March 18, 2010, 8:12 AM – March 18, 2010, 8:24 AM

  Authors

  • Aaron Sisto

    • Department of Mechanical Engineering, Purdue University, West Lafayette, IN 47906

  • Alexey T. Zayak

    • Molecular Foundry, LBNL, Berkeley, CA 94720, Department of Electrical Engineering and Computer Sciences, UC Berkeley, CA 94720, USA

  • Jeff Neaton

    • Molecular Foundry, LBNL, Berkeley, CA 94720
    • Molecular Foundry, LBNL
    • Molecular Foundry, Lawrence Berkeley National Lab
    • Lawrence Berkeley National Laboratory
    • Molecular Foundry, Lawrence Berkeley National Laboratory

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• Surface Reactions following Ultrafast Substrate Excitation: A Path towards Atomic Scale Resolution of High-Temperature Reactions at Metal Surfaces?

  ORAL

  March 18, 2010, 8:24 AM – March 18, 2010, 8:36 AM

  Authors

  • Christophe Huchon

  • Zhihai Cheng

  • Ludwig Bartels

    • Univ.\ California--Riverside

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• ``QM/Me'' - a novel embedding approach for adsorbate dynamics on metal surfaces

  ORAL

  March 18, 2010, 8:36 AM – March 18, 2010, 8:48 AM

  Authors

  • J\"org Meyer

    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin

  • Karsten Reuter

    • TU Muenchen

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• First principles study of the activation of carbon dioxide on catalytic surfaces

  ORAL

  March 18, 2010, 8:48 AM – March 18, 2010, 9:00 AM

  Authors

  • Sujata Paul

    • NC State University

  • M. Buongiorno Nardelli

    • North Carolina State University
    • NC State University
    • NC State University, Raleigh, NC, and CSMD, ORNL, TN

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• The dynamics of quantum tunneling: effects on the rate and transition path of OH on Cu(110)

  ORAL

  March 18, 2010, 9:00 AM – March 18, 2010, 9:12 AM

  Authors

  • Erlend Davidson

    • University College London

  • Ali Alavi

    • University of Cambridge

  • A. Michaelides

    • University College London
    • London Centre for Nanotechnology and Department of Chemistry, University College London
    • University College London, London

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• The Raising Of A Molecular Flagpole: Acetophenone on the Silicon (001) Surface

  ORAL

  March 18, 2010, 9:12 AM – March 18, 2010, 9:24 AM

  Authors

  • Oliver Warschkow

    • Centre for Quantum Computer Technology, School of Physics, The University of Sydney

  • Steven R. Schofield

    • London Centre for Nanotechnology, University College London

  • Daniel R. Belcher

    • School of Mathematical and Physical Sciences, The University of Newcastle

  • Marian W. Radny

    • School of Mathematical and Physical Sciences, The University of Newcastle

  • Phillip V. Smith

    • School of Mathematical and Physical Sciences, The University of Newcastle

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• Reaction mechanism of the oxidation of HCl over RuO$_2$(110)

  ORAL

  March 18, 2010, 9:24 AM – March 18, 2010, 9:36 AM

  Authors

  • Ari Seitsonen

    • Physikalisch-Chemisches Institut, University of Zurich

  • Herbert Over

    • Physikalisch-Chemisches Institut, Justus-Liebig-University, Giessen

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• Ab Initio Nonadiabatic Molecular Dynamics of Wet-Electrons on the TiO$_2$ Surface

  ORAL

  March 18, 2010, 9:36 AM – March 18, 2010, 9:48 AM

  Authors

  • Sean Fischer

    • University of Washington

  • Walter Duncan

    • Schrodinger Inc.

  • Oleg Prezhdo

    • University of Washington

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• Theoretical study on the diffusion of hydroxyl radical on BaO terminated BaTiO$_3$ (001) surface

  ORAL

  March 18, 2010, 9:48 AM – March 18, 2010, 10:00 AM

  Authors

  • John Mark Martirez

    • The Makineni Theoretical Laboratories, Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104-6323

  • Wissam Al-Saidi

    • Department of Chemical and Petroleum Engineering , University of Pittsburgh, Pittsburgh, PA 15261

  • Andrew Rappe

    • The Makineni Theoretical Laboratories, Deparment of Chemistry, University of Pennsylvania
    • The Makineni Theoretical Laboratories, Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104-6323
    • University of Pennsylvania
    • The Makineni Theoretical Laboratories, Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323, USA

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• Studies of oxidation and thermal reduction of the Cu(100) surface using low energy positrons

  ORAL

  March 18, 2010, 10:00 AM – March 18, 2010, 10:12 AM

  Authors

  • N.G. Fazleev

  • W.B. Maddox

    • University of Texas at Arlington

  • Alexander Weiss

    • University of Texas Arlington
    • Univ of Texas at Arlington
    • Department of Physics, UTA, TX
    • Physics Department, University of Texas at Arlington
    • Dept. of Physics, U T Arlingto

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• Water Oxidation on GaN Surface

  ORAL

  March 18, 2010, 10:12 AM – March 18, 2010, 10:24 AM

  Authors

  • Xiao Shen

    • Stony Brook University

  • Jue Wang

    • Stony Brook University

  • Y. A. Small

    • Brookhaven National Lab

  • P. B. Allen

  • M. V. Fernandez-Serra

    • Stony Brook University

  • M. S. Hybertsen

  • J. T. Muckerman

    • Brookhaven National Lab

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• High Coverage Oxidation and diffusion on the Cu(001) Surface

  ORAL

  March 18, 2010, 10:24 AM – March 18, 2010, 10:36 AM

  Authors

  • W.B. Maddox

    • University of Texas at Arlington

  • Nail Fazleev

    • University of Texas Arlington
    • University of Texas at Arlington

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• Catalytic activity of gold nanoclusters supported by cerium oxide: interplay between cluster reactivity, size, and interface charge transfer revealed by DFT calculations

  ORAL

  March 18, 2010, 10:36 AM – March 18, 2010, 10:48 AM

  Authors

  • Stefano Fabris

    • CNR DEMOCRITOS and SISSA, Trieste, Italy
    • CNR-INFM DEMOCRITOS, Trieste (Italy)

  • Matteo Farnesi Camellone

    • CNR-DEMOCRITOS and SISSA

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• Study of atomic/molecular hydrogen diffusion on/desorption from amorphous surfaces at low temperature

  ORAL

  March 18, 2010, 10:48 AM – March 18, 2010, 11:00 AM

  Authors

  • Gianfranco Vidali

    • Syracuse University

  • Ling Li

    • Syracuse University

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