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Cluster model calculations of oxygen chemisorption on (001) surfaces of bcc V, Cr and Fe

โœ Scribed by H. Adachi; M. Tsukada; I. Yasumori; M. Onchi


Book ID
118984297
Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
695 KB
Volume
119
Category
Article
ISSN
0039-6028

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Chemisorption of hydrogen and oxygen ato
โœ Ole Swang; Knut Faegri Jr.; Odd Gropen; Ulf Wahlgren ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 618 KB

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