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Physical and chemical characterization of Pt12 nCun clusters via ab initio calculations

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FIG. 1. Total energy minimal structures for bimetallic clusters of Pt 12−n Cu n composition, where green  corre-sponds to Pt and blue correcorre-sponds to Cu
TABLE I. Binding energy, relative energy to the theoretically computed minimum energy state 共⌬E=E
FIG. 4. Binding energy, chemical potential, hardness, and electrophilicity as a function of the number of Cu atoms in the clusters with Pt 12−n Cu n

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