CO dissociation on NiZr alloys studied by photoemission and electronic structure calculations期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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CO dissociation on NiZr alloys studied by photoemission and electronic structure calculations

Authors:	D Tománek R Hauert P Oelhafen R Schlögl H-J Güntherodt

Institution:	Institut für Theoretische Physik, Freie Universität Berlin, Arnimallee 14, D - 1000 Berlin 33, Germany;Institut für Physik, Universität Basel, Klingelbergstrasse 82, CH - 4056 Basel, Switzerland

Abstract:	We present a photoemission study of the CO adsorption on amorphous NiZr alloys at various compositions. Our results indicate a distinct enhancement of dissociative adsorption even at very low Zr concentrations. These observations are supported by LCAO-type calculations of potential energy surfaces, which suggest a strong increase of backdonation into antibonding $CO 2π^{1}$ type orbitals near Zr sites.

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