Focus Session: van der Waals Bonding in Advanced Materials - Physisorption and Self Assembly on Metals

Presentations

• Application of vdW-DF Methods to Hydrogen Adsorptions and an Organic Ferroelectric

  COFFEE_KLATCH · Invited

  Feb. 27, 2012, 8:00 AM – Feb. 27, 2012, 8:36 AM

  Authors

  • Kyuho Lee

    • Rutgers University

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• Structure and Energetics of Benzene Adsorbed on Transition-Metal Surfaces: Density-Functional Theory with Screened van der Waals Interactions

  ORAL

  Feb. 27, 2012, 8:36 AM – Feb. 27, 2012, 8:48 AM

  Authors

  • Wei Liu

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

  • Victor G. Ruiz-L\'{o}pez

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

  • Guo-xu Zhang

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

  • Xinguo Ren

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

  • Matthias Scheffler

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

  • Alexandre Tkatchenko

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

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• Physisorption of three amine terminated molecules (TMBDA, BDA, TFBDA) on the Au(111) Surface: The Role of van der Waals Interaction

  ORAL

  Feb. 27, 2012, 8:48 AM – Feb. 27, 2012, 9:00 AM

  Authors

  • Maral Aminpour

    • Physics Department, University of Central Florida
    • Department of Physics, University of Central Florida

  • Duy Le

    • Department of Physics, University of Central Florida

  • Talat Rahman

    • University of Central Florida
    • Department of Physics, University of Central Florida

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• Effect of physisorbed molecules and an external external fields on the metallic Shockley surface state of Cu(111): A density functional theory study

  ORAL

  Feb. 27, 2012, 9:00 AM – Feb. 27, 2012, 9:12 AM

  Authors

  • Kristian Berland

    • Chalmers University of Technology

  • T.L. Einstein

    • University of Maryland
    • University of Maryland, College Park
    • U. of Maryland, College Park
    • University of Maryland College Park
    • U. of Maryland

  • Per Hyldgaard

    • Chalmers University of Technology

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• Computational Study of Supramolecular Self-Assembly Using CH/$\pi$ Bonds

  ORAL

  Feb. 27, 2012, 9:12 AM – Feb. 27, 2012, 9:24 AM

  Authors

  • C. Han

    • North Carolina State University
    • CHiPS, NCSU

  • Q. Li

    • CNMS, ORNL

  • S. Horton

    • CNMS, ORNL

  • M. Fuentes-Cabrera

    • CNMS, ORNL

  • B. Sumpter

    • CNMS, ORNL

  • W. Lu

    • CHiPS, NCSU

  • J. Bernholc

    • CHiPS, NCSU

  • P. Maksymovych

    • CNMS, ORNL

  • M. Pan

    • CNMS, ORNL

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• Noble Gases on Metal Surfaces: New Insights on Adsorption Site Preference

  ORAL

  Feb. 27, 2012, 9:24 AM – Feb. 27, 2012, 9:36 AM

  Authors

  • De-Li Chen

    • 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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• Adsorption of polyvinylpyrrolidone on Ag surfaces: Insight into the workings of a structure-directing agent

  ORAL

  Feb. 27, 2012, 9:36 AM – Feb. 27, 2012, 9:48 AM

  Authors

  • Wissam Al-Saidi

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

  • Haijun Feng

    • The Pennsylvania State University

  • Kristen Fichthorn

    • Penn State University
    • The Pennsylvania State University

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• Adsorption of halogenated molecule on stepped metallic surfaces: the role of van der Waals interactions

  ORAL

  Feb. 27, 2012, 9:48 AM – Feb. 27, 2012, 10:00 AM

  Authors

  • Rengin Pekoz

    • Max Planck Institute for Polymer Research

  • Karen Johnston

    • Max Planck Institute for Polymer Research

  • Davide Donadio

    • Max Planck Institute for Polymer Research

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• The Nature of Binding in the Phenalenyl Dimer and its Derivatives

  ORAL

  Feb. 27, 2012, 10:00 AM – Feb. 27, 2012, 10:12 AM

  Authors

  • Brian Kolb

    • Wake Forest University

  • Timo Thonhauser

    • Wake Forest University

  • Miklos Kertesz

    • Georgetown University

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• Binding nature of adenine and C60 on graphene: a van der Waals density functional analysis

  ORAL

  Feb. 27, 2012, 10:12 AM – Feb. 27, 2012, 10:24 AM

  Authors

  • Per Hyldgaard

    • Chalmers University of Technology

  • Kristian Berland

    • Chalmers University of Technology

  • Valentino Cooper

    • Oak Ridge National Laboratory

  • Anders Bergvall

    • Chalmers University of Technology

  • Sergey Kubatkin

    • Chalmers University of Technology

  • Tomas L\"ofwander

    • Chalmers University of Technology

  • Elsebeth Schr\"oder

    • Chalmers University of Technology

  View abstract →