Journal
MOLECULAR SIMULATION
Volume 30, Issue 10, Pages 679-690Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/08927020412331279929
Keywords
platinum-cobalt bimetallic cluster; basin-hopping algorithm; Sutton-Chen potential; nanoclusters
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Platinum-cobalt bimetallic clusters (N = 11-15) were modeled by a many-body Sutton-Chen (SC) potential. The basin-hopping algorithm and Monte Carlo (MC) energy minimization were used to determine the global minima of bimetallic clusters. The structural changes with cluster size were observed. Most of the structures had built on icosahedral packing. Second energy difference analyzes were performed to investigate the relative stability of a cluster with respect to its size and composition. The dependence of energetics and structures on size and composition is discussed.
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