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Density functional study of atomic nitrogen and oxygen chemisorption on model clusters simulating the Cu and Ag (100) surfaces

✍ Scribed by J. Torras; M. Toscano; J.M. Ricart; N. Russo


Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
576 KB
Volume
119
Category
Article
ISSN
1381-1169

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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