【摘要】 系统研究了二元合金团簇AunCd(n=1-8)的结构和最低能量异构体的相对稳定性,结果表明:AunCd(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。更多还原

【Abstract】 The geometrical configuration and relative stability of the lowest-lying isomers of cadmium-doped gold clusters,AunCd(n=1-8) are investigated.The results obtained indicate that the lowest energy structure of AunCd(n=1-8) clusters is planar.The stability trend of the AunCd 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.更多还原