Abstract
In this short review paper, surface energy and site dependent cohesive energy of several Ag clusters are investigated via broken bonds theory and density functional theory simulation. The theoretical and simulation results shows that surface energy of Ag clusters γs(N) are almost equal to the Ag bulk value γs(∞), which shows no size dependence. Considering specific sites, cohesive energy of surface atoms Ecsx(N) are related to their coordinated numbers Zsx(N). While cohesive energy of interior atoms Ecix(N) are influenced by the high pressure existing in clusters.
Keywords: Clusters, surface energy, site dependent cohesive energy, first-principles simulation;, interface energy, cohesive energy, magic number, quasi-crystalline structure, vacancy formation energy, size dependence, site dependence, structure dependence, charge transfer, orbital hybridization, interior pressure
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