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).
Bibliographical noteFunding 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.
- Density functional theory calculations
- titantium dioxide