Adsorbate Reorganization at Steps: NO on Pd(211)

Bjørk Hammer, Jens Kehlet Nørskov

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Abstract

The interaction of nitric oxide, NO, with the stepped Pd(211) surface is studied using density functional theory slab calculations. Calculated chemisorption energies and geometries reveal that surface sites are not populated in a sequential manner as the NO coverage is increased. This comes about through mutual NO interactions that reorganize the adsorbates during the adsorption. The finding of nonsequential site population allows a reinterpretation of existing experimental data.
Original languageEnglish
JournalPhysical Review Letters
Volume79
Issue number22
Pages (from-to)4441-4444
ISSN0031-9007
DOIs
Publication statusPublished - 1997

Bibliographical note

Copyright (1997) by the American Physical Society.

Keywords

  • ADSORPTION
  • SURFACES
  • SITES

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