Theory of chemisorption based on a surface molecule plus indented solid model
- 10 September 1980
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 13 (25) , 4823-4839
- https://doi.org/10.1088/0022-3719/13/25/024
Abstract
Paulson and Schrieffer's theory (1975) of hydrogen chemisorption on a metal surface based on a surface molecule plus indented solid model is extended to include mixing of the neutral and ionic states of the adatom. The chemisorption energy and the wavefunctions are calculated in a strong-coupling approximation by using a surface Green function. It is shown, firstly, that the contribution of the ionic states is of great significance, and secondly, that neglect of substrate band effects introduces a serious error. The role of substrate electron interactions is also investigated.Keywords
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