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Surface Energy and Site Dependent Cohesive Energy of Ag Clusters

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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.





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Keywords: Clusters; charge transfer; cohesive energy; first-principles simulation;; interface energy; interior pressure; magic number; orbital hybridization; quasi-crystalline structure; site dependence; site dependent cohesive energy; size dependence; structure dependence; surface energy; vacancy formation energy

Document Type: Research Article

Publication date: June 1, 2011

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  • Current Nanoscience publishes authoritative reviews and original research reports, written by experts in the field on all the most recent advances in nanoscience and nanotechnology. All aspects of the field are represented including nano- structures, synthesis, properties, assembly and devices. Applications of nanoscience in biotechnology, medicine, pharmaceuticals, physics, material science and electronics are also covered. The journal is essential to all involved in nanoscience and its applied areas.
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