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Title:

Metal-Supported Metal Clusters: A Density Functional Study of Pt-3 and Pd-3

Document type:
Journal Article
Author(s):
Santana, J. A.; Rosch, N.
Abstract:
The geometric, energetic, and electronic properties of metal-supported metal clusters were examined computationally by applying a method based on density functional theory to model systems. To explore lattice strain effects on these systems, Pt-3 and Pd-3 clusters adsorbed on Au(111) and Cu(111) were studied. The geometric and electronic properties of these small metal-supported clusters were found to differ from the corresponding overlayer system. The d-band centers of the adsorbed clusters on...     »
Congress title:
ISI Document Delivery No.: 939VY Times Cited: 1 Cited Reference Count: 75 Santana, Juan A. Roesch, Notker Alexander von Humboldt Foundation; Fonds der Chemischen Industrie (Germany) We thank Dr. Sven Kruger for helpful discussions. J.A.S. gratefully acknowledges support by a research fellowship of the Alexander von Humboldt Foundation. The work was supported by Fonds der Chemischen Industrie (Germany). Computational resources were provided in part by the Julich Supercomputing Centre. 1 Amer che...     »
Journal title:
Journal of Physical Chemistry C
Year:
2012
Journal volume:
116
Journal issue:
18
Pages contribution:
10057-10063
Fulltext / DOI:
doi:10.1021/jp301227e
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