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Metallic clusters on a model surface: Quantum versus geometric effects

✍ Scribed by Blundell, S. A.; Haldar, Soumyajyoti; Kanhere, D. G.

Book ID
111952885
Publisher
The American Physical Society
Year
2011
Tongue
English
Weight
593 KB
Volume
84
Category
Article
ISSN
1098-0121

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The chemisorption of atomic hydrogen and oxygen on a cobalt surface has been studied on a five-atom cluster model using one-electron effective core potential ( l e -E c p ) and all-electron calculations at the ab initio SCF and MCPF levels. Also, density functional calculations have been carried out