Orientation of Decanethiol Molecules in Self-Assembled Monolayers Determined by Inelastic Electron Tunneling Spectroscopy

被引:19
|
作者
Leng, Jian-Cai [1 ,2 ]
Lin, Li-Li [1 ]
Song, Xiu-Neng [3 ]
Li, Zong-Liang [1 ]
Wang, Chuan-Kui [1 ]
机构
[1] Shandong Normal Univ, Coll Phys & Elect, Jinan 250014, Peoples R China
[2] Shandong Inst Light Ind, Coll Math & Phys, Jinan 250353, Peoples R China
[3] Royal Inst Technol, Sch Biotechnol, Dept Theoret Chem, S-10691 Stockholm, Sweden
来源
JOURNAL OF PHYSICAL CHEMISTRY C | 2009年 / 113卷 / 42期
关键词
CONDUCTANCE; TRANSPORT; JUNCTIONS;
D O I
10.1021/jp9052264
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present first-principles calculations for the inelastic electron tunneling spectroscopy (IETS) of decanethiolate molecules sandwiched between Au(111) surface and scanning tunneling microscope (STM) reported by Hallback et at, (Nano Left. 2004, 4, 2393). It is demonstrated here that the IET spectra are very sensitive to the molecule-metal contact structure, orientation of the molecule adsorbed on the surface, and the distance between the carbon of the terminal methyl group and the STM tip. With correct assignation of the experimental spectral features, the orientation of the molecule and then the probable configuration of the molecular junction are
引用
收藏
页码:18353 / 18357
页数:5
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