HYDROGEN CHEMISORPTION ON PT NI(111) SYSTEMS

Extensive self-consistent real-space recursion-method calculations wer e performed for the Pt overlayer or the Pt-7 cluster on the Ni(111) su rface and for hydrogen chemisorption on these systems. Correlations be tween the surface-atom local density of electronic-state properties be fore chemisorption, surface reactivity, and the initial-state contribu tion to the metal core-level shifts, respectively, is documented and d iscussed. The experimentally observed catalytic properties of Pt-Ni al loy surfaces are also briefly considered. (C) 1996 John Wiley & Sons, Inc.