Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 771, Issue 1-3, Pages 129-133Publisher
ELSEVIER
DOI: 10.1016/j.theochem.2006.03.040
Keywords
density functional theory calculations; growth; metal; metal-oxide; gold; silver; copper; titantium dioxide
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We examine the structure of small Au-n Ag-n, and Cu-n (n=2-4) clusters on rutile TiO2(110) surfaces using density functional theory calculations. Based on the comparison of supported and gas-phase clusters, we also discuss the effect of the cluster-substrate interaction on the atomic structure of small Au, Ag, and Cu clusters grown on TiO2(110). (c) 2006 Published by Elsevier B.V.
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