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Tight-binding model of hydrogen chemisorption on Pd/Ta (110) and Pd/W (110) surfaces

✍ Scribed by Štěpán Pick

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
466 KB
Volume
225
Category
Article
ISSN
0009-2614

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✦ Synopsis

We study the chemisorption of hydrogen on epitaxial and incommensurate Pd overlayers deposited on Ta and W ( 1 lo), respectively, within a self-consistent tight-binding recursion-scheme model. The incommensurate films are described by a meanfield Hamiltonian. On the epitaxial layer the H-Pd bonding is strongly reduced but for the incommensurate structure Hz molecule dissociation is likely, in agreement with experiment. Trends in the initial-state contribution to core-level shifts and their correlation with other system properties are discussed.

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