Fragmentation Behavior and Ionization Potentials of Lead Clusters Pb_n(n≤30)  

作　　者：LI Xiao-ping ZHANG Wei LUE Wen-cai WANG Cai-zhuang HO Kai-ming 

机构地区：[1]State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, P. R. China [2]Laboratory of Fiber Materials and Modern Textile, the Growing Base for State Key Laboratory, College of Physics, Qingdao University, Qingdao 266071, P. R. China [3]Ames Laboratory of US DOE and Department of Physics and Astronomy, Iowa State University, Ames IA 50011, USA

出　　处：《Chemical Research in Chinese Universities》2010年第6期996-1001,共6页高等学校化学研究（英文版）

基　　金：Supported by the National Natural Science Foundation of China(Nos.20773047 and 21043001)

摘　　要：The properties of Pbn（n=2―30） clusters including binding energies,second differences in energy,and HOMO-LUMO gaps,especially fragmentation energies and ionization potentials,have been studied by ab initio calculation.The main fragmentation products of Pbn＋ are shown to be Pb＋Pbn-1＋ for n≤14 and two small cluster fragments for larger ones with n14.The Pb13＋ appears frequently as the products in the fragmentations of large clusters.Also,the calculated ionization potentials of the clusters are consistent with the experiment data.The properties of Pbn（n=2―30） clusters including binding energies,second differences in energy,and HOMO-LUMO gaps,especially fragmentation energies and ionization potentials,have been studied by ab initio calculation.The main fragmentation products of Pbn＋ are shown to be Pb＋Pbn-1＋ for n≤14 and two small cluster fragments for larger ones with n14.The Pb13＋ appears frequently as the products in the fragmentations of large clusters.Also,the calculated ionization potentials of the clusters are consistent with the experiment data.

关 键 词：Pb cluster FRAGMENTATION Ionization potential 

分 类 号：O562.4[理学—原子与分子物理] O571.4[理学—物理]