Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations
文献类型：期刊论文
| 作者 | Xu Hong-Guang3; Wu Miao-Miao1,2; Zhang Zeng-Guang3; Sun Qiang1,2; Zheng Wei-Jun3 |
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2011-04-01 |
| 卷号 | 20期号:4 |
| 关键词 | Photoelectron Density Functional Theory Metal-doped Silicon Clusters |
| ISSN号 | 1674-1056 |
| DOI | 10.1088/1674-1056/20/4/043102 |
| 英文摘要 | Anion ion photoelectron spectroscopy and density functional theory (DFT) are used to investigate the electronic and structural properties of ScSin- (n = 2 similar to 6) clusters and their neutrals. We find that the structures of ScSin- are similar to those of Si-n+1(-). The most stable isomers of ScSin- cluster anions and their neutrals are similar for n=2, 3 and 5 but different for n=4 and 6, indicating that the charge effect on geometry is size dependent for small scandium-silicon clusters. The low electron binding energy (EBE) tails observed in the spectra of ScSi4,6- can be explained by the existence of less stable isomers. A comparison between ScSin- and VSin- clusters shows the effects of metal size and electron configuration on cluster geometries. |
| 语种 | 英语 |
| WOS记录号 | WOS:000289941500035 |
| 出版者 | IOP PUBLISHING LTD |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/73245]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Sun Qiang |
| 作者单位 | 1.Peking Univ, Dept Adv Mat & Nanotechnol, Beijing 100871, Peoples R China 2.Peking Univ, Ctr Appl Phys & Technol, Beijing 100871, Peoples R China 3.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu Hong-Guang,Wu Miao-Miao,Zhang Zeng-Guang,et al. Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations[J]. CHINESE PHYSICS B,2011,20(4). |
| APA | Xu Hong-Guang,Wu Miao-Miao,Zhang Zeng-Guang,Sun Qiang,&Zheng Wei-Jun.(2011).Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations.CHINESE PHYSICS B,20(4). |
| MLA | Xu Hong-Guang,et al."Structural and bonding properties of ScSin- (n=2 similar to 6) clusters: photoelectron spectroscopy and density functional calculations".CHINESE PHYSICS B 20.4(2011). |
入库方式： OAI收割
来源：化学研究所
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