The project aims at developing models of adsorption and reaction at surfaces. The basis is detailed self-consistent calculations using density functional theory with a non-local desorption of exchange and correlation. Models based on the effective medium theory and the Newns-Andersen model are developed to identify the important parameters determining the reactivity of a given system. The theoretical work is closely coupled to experiments on model systems and in industry.
The systems studied include clean metals, alloys, transition metal sulfides, and models of enzymes.
| Status | Completed |
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| Period | 01-09-93 → … |
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| Financing source | Unknown |
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| Research programme | Ukendt |
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| Amount | 1,000,000.00 Danish kroner |
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| Financing source | Unknown |
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| Research programme | Ukendt |
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| Amount | 290,000.00 Danish kroner |
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| Financing source | Unknown |
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| Research programme | Ukendt |
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| Amount | 145,000.00 Danish kroner |
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| Financing source | Unknown |
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| Research programme | Ukendt |
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| Amount | 224,000.00 Danish kroner |
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