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Digitale Medien

Hydrogen chemisorption on Pt/Ni (111) systems (1996)

Mikušík, Peter ; Pick, Sš teěpán ; Castellani, Norberto J. ; [weitere]

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 57 (1996), S. 887-896

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Details

ISSN: 0020-7608

Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie

Notizen: Extensive self-consistent real-space recursion-method calculations were performed for the Pt overlayer or the Pt7 cluster on the Ni(111) surface and for hydrogen chemisorption on these systems. Correlations between the surface-atom local density of electronic-state properties before chemisorption, surface reactivity, and the initial-state contribution to the metal core-level shifts, respectively, is documented and discussed. The experimentally observed catalytic properties of Pt—Ni alloy surfaces are also briefly considered. © 1996 John Wiley & Sons, Inc.

Zusätzliches Material: 7 Ill.

Materialart: Digitale Medien

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