Journal article
Adsorption of Cu and Pd on alpha-Al2O3(0001) surfaces with different stoichiometries
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.
Language: | English |
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Publisher: | American Institute of Physics |
Year: | 2001 |
Pages: | 11261-11267 |
ISSN: | 10897690 and 00219606 |
Types: | Journal article |
DOI: | 10.1063/1.1421107 |
ORCIDs: | Nørskov, Jens Kehlet |
ADHESION AL AL2O3 ALUMINUM-OXIDE FILMS H2O INTERFACES MODEL RHODIUM