HYDROGEN CHEMISORPTION ON PT/NI(111) SYSTEMS

摘要

Extensive self-consistent real-space recursion-method calculations were performed for the Pt overlayer or the Pt-7 cluster on the Ni(111) surface and for hydrogen chemisorption on these systems. Correlations between the surface-atom local density of electronic-state properties before chemisorption, surface reactivity, and the initial-state contribution to the metal core-level shifts, respectively, is documented and discussed. The experimentally observed catalytic properties of Pt-Ni alloy surfaces are also briefly considered. (C) 1996 John Wiley & Sons, Inc. [References: 27]