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The adsorption site of ammonia at copper surfaces |
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| Authors: | W Biemolt P R Davies A P J Jansen and R A van Santen |
| Affiliation: | a School of Chemistry and Applied Chemistry, University of Wales College of Cardiff, P.O. Box 912, Cardiff, CF1 3TB, U.K. b Laboratory of Inorganic Chemistry and Cataysis, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands |
| Abstract: | The adsorption of ammonia at copper surfaces was studied using Hartree-Fock-Slater LCAO calculations to investigate ammonia interaction with copper clusters. Important factors influencing ammonia adsorption were established from trends in its behaviour at clusters of different size. Adsorption at different coordination sites was examined in light of these results and it was found that a strong electrostatic contribution directs the ammonia towards lower coordination sites. |
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