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 |
| 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. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | physics, multidisciplinary |
| 研究领域[WOS] | physics |
| 关键词[WOS] | small silicon clusters ; electronic-structures ; metallofullerene ; stabilities |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000289941500035 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/142616]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 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：大连化学物理研究所
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