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A density functional theory study on the structures and energetics of CdmTen clusters (m + n ⩽ 6)

✍ Scribed by Rengin Peköz; Şakir Erkoç


Book ID
116375326
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
646 KB
Volume
45
Category
Article
ISSN
0927-0256

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Density functional theory calculations were performed to investigate the binding of NO on small Ag n Pd m clusters (n + m 6 5). NO prefers binding to Pd site when both Ag and Pd atoms co-exist in the cluster. Generally the binding energies increase as the Pd composition increases for the given clust