Theoretical study of chemisorption of CO on copper clusters

Theoretical study of chemisorption of CO on copper clusters

The cluster size oscillations of the chemisorption energies are strongly effected by the geometry optimization of the clusters. This is found to be true for the case of CO absorbed on copper clusters of which this paper investigated using a correlated quantum chemical model approach.

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Veröffentlicht in:Journal of Physical Chemistry 1992-09, Vol.96 (19), p.7579-7584
Hauptverfasser: NYGREN, M. A, SIEGBAHN, P. E. M
Format: Artikel
Sprache:eng
Schlagworte:
40 CHEMISTRY
BINDING ENERGY
CARBON MONOXIDE
CHEMISORPTION
Chemistry
COPPER
Exact sciences and technology
General and physical chemistry
MATERIALS SCIENCE
MOLECULAR STRUCTURE
PHYSICS
Solid-gas interface
Surface physical chemistry
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Zusammenfassung:The cluster size oscillations of the chemisorption energies are strongly effected by the geometry optimization of the clusters. This is found to be true for the case of CO absorbed on copper clusters of which this paper investigated using a correlated quantum chemical model approach.
ISSN:0022-3654
1541-5740
DOI:10.1021/j100198a018