Hydrogen dissociation on Au-substituted Pt clusters

Abstract

London-Eyring-Polanyi-Sato (LEPS) method has been used to study the dissociation of an H₂ molecule on Pt₁₈ and Pt₁₇Au clusters. It has been found that on Pt₁₈ cluster, dissociation at bridge site is favoured; the dissociated H atoms ultimately being chemisorbed on top sites. On the Pt₁₇Au cluster, on the other hand, dissociation at a top site is favoured when the dissociated species gets subsequently chemisorbed on bridge sites. Relevance of the work in understanding the catalytic reactions over alloy surfaces is discussed.