Adsorption of Cu and Pd on alpha-Al2O3(0001) surfaces with different stoichiometries

Zbigniew Lodziana, Jens Kehlet Nørskov

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Abstract

We report density functional theory calculations of the interaction of Cu and Pd with the (0001) surface of alpha -Al2O3. The interaction of those metals with the oxide surface varies from covalent-like for the aluminum rich surface to ionic-like for the oxygen terminated surface. Stoichiometric hydroxylation of the surface does not increase the metal-oxide interaction significantly. We suggest that defects created upon hydroxylation are the main mechanism to explain the observed metal wetting of the oxide.
Original languageEnglish
JournalJournal of Chemical Physics
Volume115
Issue number24
Pages (from-to)11261
ISSN0021-9606
DOIs
Publication statusPublished - 2001

Bibliographical note

Copyright (2001) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Keywords

  • RHODIUM
  • AL2O3
  • ADHESION
  • MODEL
  • H2O
  • INTERFACES
  • AL
  • ALUMINUM-OXIDE FILMS

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