Molecular Wires in Single-Molecule Junctions: Charge Transport and Vibrational Excitations

被引：72

作者：

Ballmann, Stefan ^{[1
,2
]}

Hieringer, Wolfgang ^{[2
]}

Secker, Daniel ^{[1
]}

Zheng, Qinglin ^{[4
]}

Gladysz, John A. ^{[3
,4
]}

Goerling, Andreas ^{[2
]}

Weber, Heiko B. ^{[1
]}

机构：

[1] Univ Erlangen Nurnberg, Chair Appl Phys, D-91058 Erlangen, Germany

[2] Univ Erlangen Nurnberg, Chair Theoret Chem, D-91058 Erlangen, Germany

[3] Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA

[4] Univ Erlangen Nurnberg, Inst Organ Chem, D-91054 Erlangen, Germany

来源：

CHEMPHYSCHEM | 2010年 / 11卷 / 10期

基金：

美国国家科学基金会;

关键词：

density functional calculations; electron transport; mechanically controlled break junction; molecular electronics; oligoyne; ELECTRON-TUNNELING SPECTROSCOPY; APPROXIMATE COULOMB POTENTIALS; AUXILIARY BASIS-SETS; SP CARBON CHAINS; 2 PLATINUM ATOMS; CONDUCTANCE; FREQUENCIES; EXCHANGE; PROGRAM; ENERGY;

D O I：

10.1002/cphc.200900974

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 investigate the effect of vibrations on the electronic trans, port through single-molecule junctions, using the mechanically controlled break junction technique. The molecules under investigation are oligoyne chains with appropriate end groups, which represent both an ideally linear electrical wire and an ideal molecular vibrating string. Vibronic features can be detected as satellites to the electronic transitions, which are assigned to longitudinal modes of the string by comparison with density functional theory data.

引用

页码：2256 / 2260

页数：5

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