Ligand effects in heterogeneous catalysis and electrochemistry |
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| Authors: | T. Bligaard,J.K. Nø rskov |
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| Affiliation: | Center for Atomic-scale Materials Design, Department of Physics, Building 307, NanoDTU, Technical University of Denmark, DK-2800 Lyngby, Denmark |
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| Abstract: | Ligand effects in surface reactivity are discussed on the basis of extensive density functional theory calculations. The d-band model is reviewed and it is shown that it can be used to rationalize trends in reactivity in heterogeneous catalysis and electrochemistry. |
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| Keywords: | Trends Alloys Ligand effects d-Band model Electronic structure |
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