Structures and Electronic Properties of V3Sin- (n=3-14) Clusters: A Combined Ab Initio and Experimental Study
文献类型：期刊论文
| 作者 | Huang, Xiaoming1; Lu, Sheng-Jie2; Liang, Xiaoqing1; Su, Yan1; Sai, Linwei3; Zhang, Zeng-Guang2; Zhao, Jijun1; Xu, Hong-Guang2; Zheng, Weijun2 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2015-05-21 |
| 卷号 | 119期号:20页码:10987-10994 |
| 英文摘要 | Vanadium-doped silicon cluster anions, V3Sin- (n = 3-14), have been generated by laser vaporization and investigated by anion photoelectron spectroscopy. The vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) Of these clusters were obtained. Meanwhile, genetic algorithm (GA) combined with density functional theory (DFT) calculations are employed to determine their groundstate structures systematically. Excellent agreement is found between theory and experiment. Among the V3Sin- clusters, V3Si5-, V3Si9-, and V3Si12- are relatively more stable. Generally speaking, three V atoms prefer to stay close with others and form strong V-V bonds. Starting from V3Si11-, cage configurations with one interior V atom emerge. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2015-11-02 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/28133]  |
| 专题 | 化学研究所_分子反应动力学实验室 |
| 作者单位 | 1.Dalian Univ Technol, Key Lab Mat Modificat Laser Ion & Electron Beams, Minist Educ, Dalian 116024, Peoples R China 2.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China 3.Hohai Univ, Dept Math & Phys, Changzhou 213022, Peoples R China |
| 推荐引用方式 GB/T 7714 | Huang, Xiaoming,Lu, Sheng-Jie,Liang, Xiaoqing,et al. Structures and Electronic Properties of V3Sin- (n=3-14) Clusters: A Combined Ab Initio and Experimental Study[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2015,119(20):10987-10994. |
| APA | Huang, Xiaoming.,Lu, Sheng-Jie.,Liang, Xiaoqing.,Su, Yan.,Sai, Linwei.,...&Zheng, Weijun.(2015).Structures and Electronic Properties of V3Sin- (n=3-14) Clusters: A Combined Ab Initio and Experimental Study.JOURNAL OF PHYSICAL CHEMISTRY C,119(20),10987-10994. |
| MLA | Huang, Xiaoming,et al."Structures and Electronic Properties of V3Sin- (n=3-14) Clusters: A Combined Ab Initio and Experimental Study".JOURNAL OF PHYSICAL CHEMISTRY C 119.20(2015):10987-10994. |
入库方式： OAI收割
来源：化学研究所
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