AunCd(n=1-8)团簇的结构和稳定性(英文)

Au_nCd(n=1-8)团簇的结构和稳定性(英文)

摘要: 系统研究了二元合金团簇Au_nCd(n=1-8)的结构和最低能量异构体的相对稳定性, 结果表明: Au_nCd(n=1-8)团簇的基态几何结构为平面结构, 奇数个原子的团簇比偶数个原子团簇的稳定性高, Au₂Cd为幻数团簇, 具有较高的稳定性。

Abstract: The geometrical configuration and relative stability of the lowest-lying isomers of cadmium-doped gold clusters, Au_nCd(n=1-8) are investigated.The results obtained indicate that the lowest energy structure of Au_nCd(n=1-8) clusters is planar.The stability trend of the Au_nCd cluster shows an odd-even oscillation with the even numbered clusters is more stable, and indicates that Au₂Cd cluster is magic one with high chemical stability.