A model potential for the interaction of oxygen and Ag (110)

J. H. Lin, Barbara Jane Garrison

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Abstract

A model LEPS potential has been developed to describe the interaction of two and three oxygen atoms with the Ag (110) crystal face. The surface encompasses both molecular and atomic adsorption states. The oxygen-oxygen antibonding potential is assumed to be electrostatic and anisotropic in form. These modifications are necessary to account for the observed (n×1) overlayer structures where 2≤n≤7. Classical trajectory calculations have been performed in order to examine the adsorption dynamics. Adsorption into both the molecular and atomic states are observed. The probability for adsorption is the largest if the oxygen molecule is aimed towards the trough on the surface.

Original languageEnglish (US)
Pages (from-to)2904-2913
Number of pages10
JournalThe Journal of Chemical Physics
Volume80
Issue number6
StatePublished - Dec 1 1983

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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