The calculation of the chemisorption energy using the new diagram technique for the Anderson model |
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Authors: | IG Medvedev |
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Institution: | (1) A.N. Frumkin Institute of Electrochemistry of the Russian Academy of Sciences, Leninsky prospect 31, 117071 Moscow, Russia, RU |
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Abstract: | Using the perturbation expansion in the rebonding interaction near the surface molecule limit, the new diagram technique for
the calculation of the chemisorption energy in the Anderson model is proposed. The new expression for the chemisorption energy
in the ring diagram approximation is presented. The approximate expression for the contribution of the non- ring diagrams
is suggested. The chemisorption energies are calculated and compared with the available exact results and others in the literature.
A simple explanation of observable trends in hydrogen chemisorption energies along the transition metal series is given based
on the rebonding surface molecule picture.
Received 8 July 1999 and Received in final form 24 January 2000 |
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Keywords: | PACS 71 10 -w Theories and models of many electron systems – 73 20 Hb Impurity and defect levels energy states of adsorbed species – 82 65 My Chemisorption |
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