Query: journal:(Journal of Catalysis) title:(Theoretical studies of stability and reactivity of CHx species on Ni\(111\)), Author: Watwe, ISSN: 00219517

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journal:(Journal of Catalysis) title:(Theoretical studies of stability and reactivity of CHx species on Ni\(111\)) ISSN: 00219517 Author: Watwe

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journal:(Journal AND of AND Catalysis) AND title:(Theoretical AND studies AND of AND stability AND and AND reactivity AND of AND CHx AND species AND on AND Ni\\(111\\))

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1 Journal article

Theoretical Studies of Stability and Reactivity of CHx Species on Ni(111) 10.1006/jcat.1999.2699

Watwe, R.M.; Bengaard, H.S.; Rostrup-Nielsen, J.R.; Dumesic, J.A.; Nørskov, J.K.

Journal of Catalysis — 1999, Volume 189, Issue 1, pp. 16-30

Periodic infinite plane wave slab calculations were performed, in conjunction with density functional theory and ultrasoft pseudopotentials to study the adsorption of CHx (x=1, 2, 3) species on the Ni(111) surface. The potential energy diagram is presented for the overall reaction of surface carbon

Year: 1999

Language: English

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2 Journal article

Theoretical studies of stability and reactivity of CHx species on Ni(111)