Unified picture of the molecular adsorption process: O2/Pt(1 1 1)

Axel Gross, Andreas Eichler, Juergen Hafner, M J Mehl, D A Papaconstantopoulos

    Veröffentlichungen: Beitrag in FachzeitschriftArtikelPeer Reviewed

    Abstract

    Tight-binding molecular dynamics simulations of the adsorption of O2/Pt(1 1 1) have been performed based on an ab initio potential energy surface. We demonstrate that, contrary to common belief, in this system the whole adsorption probability as a function of the kinetic energy can be understood in terms of trapping into chemisorbed molecular precursor states. This provides a novel unified picture of the trapping process which is relevant for the general understanding of adsorption. Furthermore, by simple steric arguments we are able to explain why O2 does not dissociate on cold Pt(1 1 1) surfaces even at kinetic energies that are much greater than the dissociation barrier. Œ 2003 Elsevier B.V. All rights reserved.
    OriginalspracheEnglisch
    FachzeitschriftSurface Science
    Jahrgang539
    Ausgabenummer1-3
    DOIs
    PublikationsstatusVeröffentlicht - 2003

    ÖFOS 2012

    • 1030 Physik, Astronomie

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