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 |
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| container_end_page | 7584 |
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| container_issue | 19 |
| container_start_page | 7579 |
| container_title | Journal of Physical Chemistry |
| container_volume | 96 |
| creator | NYGREN, M. A SIEGBAHN, P. E. M |
| description | 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. |
| doi_str_mv | 10.1021/j100198a018 |
| format | Article |
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| identifier | ISSN: 0022-3654 |
| ispartof | Journal of Physical Chemistry, 1992-09, Vol.96 (19), p.7579-7584 |
| issn | 0022-3654 1541-5740 |
| language | eng |
| recordid | cdi_pascalfrancis_primary_4315703 |
| source | American Chemical Society Journals |
| subjects | 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 |
| title | Theoretical study of chemisorption of CO on copper clusters |
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