Peculiar distribution of Pd on Au nanoclusters: First-principles studies
Physical Review B2008Vol. 78(3)
Citations Over TimeTop 10% of 2008 papers
Abstract
Through systematic density-functional calculations, we found that Pd atoms in Au nanoclusters may only take (111) facets while leaving (001) facets with pure Au. This is promoted by the tendency that Pd prefers to form bonds with Au rather than Pd. The segregation from the (001) facet to the (111) facet appears to occur easily. The local activity of Pd is somewhat dependent on the size of cluster and on the site of substitution. The peculiar distribution pattern of the active constituent should strongly alter the chemical properties of bimetallic nanoclusters toward catalyzing reactions.
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