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A theoretical investigation on geometry and electronic structure of small FemSn nanoclusters (1 ⩽ m, n ⩽ 4)

✍ Scribed by Mehdi D. Esrafili; Samaneh Rezaei; Elham Eftekhari


Book ID
119221157
Publisher
Elsevier
Year
2012
Tongue
English
Weight
590 KB
Volume
1001
Category
Article
ISSN
2210-271X

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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