Abstract
We examine the structure of small Aun, Agn, and Cun (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).
Original language | English |
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Pages (from-to) | 129-133 |
Number of pages | 5 |
Journal | Journal of Molecular Structure: THEOCHEM |
Volume | 771 |
Issue number | 1-3 |
DOIs | |
State | Published - 12 Oct 2006 |
Bibliographical note
Funding Information:The authors acknowledge the Welch Foundation (Grant no. F-1535) for their financial support of this work. All our calculations were performed using supercomputers in Texas Advanced Computing Center at the University of Texas at Austin.
Keywords
- Density functional theory calculations
- copper
- gold
- growth
- metal
- metal-oxide
- silver
- titantium dioxide