ICCAS OpenIR
Is there a Au-S bond dipole in self-assembled monolayers on gold?
Wang, LinJun1,3; Rangger, Gerold M.2; Ma, ZhongYun3; Li, QiKai3; Shuai, Zhigang1,3; Zojer, Egbert2; Heimel, Georg4
2010
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN1463-9076
Volume12Issue:17Pages:4287-4290
AbstractSelf-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.
DOI10.1039/b924306m
Indexed BySCI
Language英语
WOS IDWOS:000276896000003
PublisherROYAL SOC CHEMISTRY
Citation statistics
Cited Times:33[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/69094
Collection中国科学院化学研究所
Corresponding AuthorShuai, Zhigang
Affiliation1.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
Recommended Citation
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.
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