Surface Energy and Site Dependent Cohesive Energy of Ag Clusters

摘要：

　　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 A8 bulk value γs(∞),which shows no size dependence.Considcring specific sites,cohesive energy of surface atoms Fcsx(N) are related to their ooordinated numbers Zsx(N).Whilc cohesive energy of interior atoms Eeix(N) are influenced by the high pressure existing in clusters.

关键词： Clusters Surface energy Site dependent cohesive energy

作者: D.Liu Z.Wen Q.Jiang

作者单位: Key Laboratory of Automobile Materials(Jilin University), Ministry of Education, and School of Materials Science and Engineering,Jilin University, Changchum 130022, China

会议类型: 国际会议

会议名称: The 6th International Conference of Molecular Simulations and Applied Informatics Technologies(第六届国际分子模拟与信息技术应用学术会议(ICMS&I))

会议地点: 南京

会议语种:英文

页码: 492-499

在线出版日期: 2012-05-13（万方平台首次上网日期，不代表论文的发表时间）