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Density functional study of TaSin (n = 1–3, 12) clusters adsorbed to graphene surface

✍ Scribed by Ping Guo; Lin Zheng; Ji Ming Zheng; Ruizhi Zhang; Luna Yang; Zhaoyu Ren


Book ID
116244588
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
985 KB
Volume
258
Category
Article
ISSN
0169-4332

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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