Is there a Au-S bond dipole in self-assembled monolayers on gold?
文献类型：期刊论文
| 作者 | Wang, LinJun1,3; Rangger, Gerold M.2; Ma, ZhongYun3; Li, QiKai3; Shuai, Zhigang1,3; Zojer, Egbert2; Heimel, Georg4 |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2010 |
| 卷号 | 12期号:17页码:4287-4290 |
| ISSN号 | 1463-9076 |
| DOI | 10.1039/b924306m |
| 英文摘要 | Self-assembled monolayers (SAMs) of functionalized thiols are widely used in organic (opto) electronic devices to tune the work function, U, of noble-metal electrodes and, thereby, to optimize the barriers for charge-carrier injection. The achievable U values not only depend on the intrinsic molecular dipole moment of the thiols but, importantly, also on the bond dipole at the Au-S interface. Here, on the basis of extensive density-functional theory calculations, we clarify the ongoing controversy regarding the existence, the magnitude, and the nature of that bond dipole. |
| 语种 | 英语 |
| WOS记录号 | WOS:000276896000003 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/69093]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Shuai, Zhigang |
| 作者单位 | 1.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China 2.Graz Univ Technol, Inst Solid State Phys, A-8010 Graz, Austria 3.Chinese Acad Sci, Inst Chem, BNLMS, Key Lab Organ Solids, Beijing 100190, Peoples R China 4.Humboldt Univ, Inst Phys, D-12489 Berlin, Germany |
| 推荐引用方式 GB/T 7714 | Wang, LinJun,Rangger, Gerold M.,Ma, ZhongYun,et al. Is there a Au-S bond dipole in self-assembled monolayers on gold?[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2010,12(17):4287-4290. |
| APA | Wang, LinJun.,Rangger, Gerold M..,Ma, ZhongYun.,Li, QiKai.,Shuai, Zhigang.,...&Heimel, Georg.(2010).Is there a Au-S bond dipole in self-assembled monolayers on gold?.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,12(17),4287-4290. |
| MLA | Wang, LinJun,et al."Is there a Au-S bond dipole in self-assembled monolayers on gold?".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12.17(2010):4287-4290. |
入库方式： OAI收割
来源：化学研究所
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