Structures and stabilities for CoGen- (n=1-12) alloy clusters

被引:0
作者
Chen Jian-Cheng [1 ]
Xing Xiao-Peng [1 ]
Tang Zi-Chao [1 ]
Gao Zhen [1 ]
机构
[1] Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
来源
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE | 2007年 / 28卷 / 03期
关键词
CoGen-; cluster; density functional theory; electronic affinity energy; E-A values; PDOS;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The electronic affinity energies, E, values, geometric and electronic structures of CoGen- (n = 1 similar to 12) clusters are studied experimentally and theoretically. The E-A values measured by a photoelectron spectroscopy agree with the computational ones for CoGe8-, CoGe9- and CoGe10-. From the PDOS, the interactions of p, d and s electrons were analyzed. The stability of CoGen- was discussed and CoGe10- was considered as a cluster with magic number.
引用
收藏
页码:535 / 538
页数:4
相关论文
共 15 条
  • [1] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR
    BECKE, AD
    [J]. PHYSICAL REVIEW A, 1988, 38 (06): : 3098 - 3100
  • [2] Smallest magic caged clusters of Si, Ge, Sn, and Pb by encapsulation of transition metal atom
    Kumar, V
    Singh, AK
    Kawazoe, Y
    [J]. NANO LETTERS, 2004, 4 (04) : 677 - 681
  • [3] DEVELOPMENT OF THE COLLE-SALVETTI CORRELATION-ENERGY FORMULA INTO A FUNCTIONAL OF THE ELECTRON-DENSITY
    LEE, CT
    YANG, WT
    PARR, RG
    [J]. PHYSICAL REVIEW B, 1988, 37 (02): : 785 - 789
  • [4] Li BX, 2000, PHYS STATUS SOLIDI B, V219, P253, DOI 10.1002/1521-3951(200006)219:2<253::AID-PSSB253>3.0.CO
  • [5] 2-V
  • [6] Structures of Gen clusters (n=3-10) and comparisons to Sin clusters
    Li, BX
    Cao, PL
    [J]. PHYSICAL REVIEW B, 2000, 62 (23): : 15788 - 15796
  • [7] Theoretical studies on the structure of the endohedral CoGe10- cluster anion
    Li, GL
    Zhang, X
    Tang, ZC
    Gao, Z
    [J]. CHEMICAL PHYSICS LETTERS, 2002, 359 (3-4) : 203 - 212
  • [8] PAWOWSKI F, 2002, NUCL I METH B, V195, P367
  • [9] ACCURATE AND SIMPLE ANALYTIC REPRESENTATION OF THE ELECTRON-GAS CORRELATION-ENERGY
    PERDEW, JP
    WANG, Y
    [J]. PHYSICAL REVIEW B, 1992, 45 (23): : 13244 - 13249
  • [10] Structures of germanium clusters: Where the growth patterns of silicon and germanium clusters diverge
    Shvartsburg, AA
    Liu, B
    Lu, ZY
    Wang, CZ
    Jarrold, MF
    Ho, KM
    [J]. PHYSICAL REVIEW LETTERS, 1999, 83 (11) : 2167 - 2170