Insight into the vertical detachment energy oscillation of NanC60- clusters

• 作 者: H.B.Wang[1]S.J.Li[1]S.L.Xiu[1]L.Gong[1]G.Chen[1]H.Mizuseki[2]Y.Kawazoe[3]
• 机 构: Department of Physics, University of Jinan, Jinan 250022, China
• 出 处: 中国物理学会2012年秋季学术会议
• 发表日期: 2012年期

We have performed a detailed density functional theory study on the structural and electronic properties of NanC60-(n = 1–12) clusters.The calculated vertical detachment energies show good agreement with the experimental data,which confirms the 3p (n = 3p) oscillation rule.