The role of vibrations in single-molecule charge transport: A case study of oligoynes with pyridine anchor groups

被引:18
作者
Ballmann, Stefan [1 ]
Hieringer, Wolfgang [2 ]
Haertle, Rainer [3 ,4 ,6 ]
Coto, Pedro B. [3 ,4 ]
Bryce, Martin R. [5 ]
Goerling, Andreas [2 ]
Thoss, Michael [3 ,4 ]
Weber, Heiko B. [1 ]
机构
[1] Univ Erlangen Nurnberg, Lehrstuhl Angew Phys, D-91058 Erlangen, Germany
[2] Univ Erlangen Nurnberg, Lehrstuhl Theoret Chem, D-91058 Erlangen, Germany
[3] Univ Erlangen Nurnberg, Inst Theoret Phys, D-91058 Erlangen, Germany
[4] Univ Erlangen Nurnberg, Interdisziplinares Zentrum Mol Mat, D-91058 Erlangen, Germany
[5] Univ Durham, Dept Chem, Durham DH1 3LE, England
[6] Inst Theoret Phys, D-37077 Gottingen, Germany
来源
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2013年 / 250卷 / 11期
关键词
molecular wire; oligoyne; single-molecule junction; vibrations; APPROXIMATE COULOMB POTENTIALS; AUXILIARY BASIS-SETS; CONDUCTANCE; JUNCTIONS; ATOMS; FREQUENCIES; ENERGY;
D O I
10.1002/pssb.201350025
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We report on measurements on molecular wires in single-molecule junctions. The target is to identify vibrational signatures in the differential conductance spectra, which cannot be resolved for most molecular wires in the resonant transport regime. For the given molecules, we find indeed vibrational sidepeaks, which can be assigned to the longitudinal modes of the string-like central motif of the molecule by comparison with density functional theory. These data corroborate that oligoyne wires are ideally suited for characterizing vibrational sidepeaks. A current increase as a consequence of vibrational decoherence observed for thiols is, however, not found due to the pyridine anchor group chosen in the present molecules.
引用
收藏
页码:2452 / 2457
页数:6
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