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Theoretical analysis of dissociative adsorption of H2O on Ni(100)

✍ Scribed by V. I. Avdeev; I. I. Zakharov; G. M. Zhidomirov

Book ID
104936269
Publisher
SP MAIK Nauka/Interperiodica
Year
1992
Tongue
English
Weight
525 KB
Volume
33
Category
Article
ISSN
0022-4766

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Dissociative adsorption of H2 on Cu (100
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First principles calculations of the potential energy surface for Hz dissociation on the ( 100) surface of Cu are presented, based on a plane-wave pseudo-potential formalism within local density functional theory. Among dissociation paths with the molecule parallel to the surface, the most favourabl