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A density functional theory study of the Au7Hn (n = 1–10) clusters

✍ Scribed by Meng Zhang; Li-Ming He; Li-Xia Zhao; Xiao-Juan Feng; Wei Cao; You-Hua Luo


Book ID
108285984
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
317 KB
Volume
911
Category
Article
ISSN
0166-1280

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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