Solvent effects on geometrical structures and electronic properties of metal Au, Ag, and Cu nanoparticles of different sizes
文献类型：期刊论文
| 作者 | Hou, Mingqiang; Mei, Qingqing; Han, Buxing |
| 刊名 | JOURNAL OF COLLOID AND INTERFACE SCIENCE
 |
| 出版日期 | 2015-07-01 |
| 卷号 | 449页码:488-493 |
| 关键词 | Solvent effect Metal nanoparticles Electronic property |
| 英文摘要 | Study of the geometrical structures and electronic properties of metal nanoparticles is a very interesting topic. In this work we studied the effects of cyclohexane, benzene, ethanol, and water on bond lengths, Mulliken charge distributions, binding energy (BE), energy gap between highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) (Delta(HL)), ionization potential (IP) and electron affinity (EA) of Au-20, Ag-20, Cu-20, Au-38, Ag-38 and Cu-38 nanoparticles by using density functional theory (DFT). The results indicated that the properties of the solvents influence the geometrical structures and electronic properties of the metallic nanoparticles considerably, and the solvent effect depends on the properties of the solvents, the size of the metal particles, and the category of the metals. Generally, the properties of smaller particles are more sensitive to the change of the solvents, and the polar solvents have larger effect on the properties. (C) 2015 Elsevier Inc. All rights reserved. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/28039]  |
| 专题 | 化学研究所_胶体、界面与化学热力学实验室 |
| 作者单位 | Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, CAS Key Lab Colloid Interface & Chem Thermodynam, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hou, Mingqiang,Mei, Qingqing,Han, Buxing. Solvent effects on geometrical structures and electronic properties of metal Au, Ag, and Cu nanoparticles of different sizes[J]. JOURNAL OF COLLOID AND INTERFACE SCIENCE,2015,449:488-493. |
| APA | Hou, Mingqiang,Mei, Qingqing,&Han, Buxing.(2015).Solvent effects on geometrical structures and electronic properties of metal Au, Ag, and Cu nanoparticles of different sizes.JOURNAL OF COLLOID AND INTERFACE SCIENCE,449,488-493. |
| MLA | Hou, Mingqiang,et al."Solvent effects on geometrical structures and electronic properties of metal Au, Ag, and Cu nanoparticles of different sizes".JOURNAL OF COLLOID AND INTERFACE SCIENCE 449(2015):488-493. |
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来源：化学研究所
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