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

作者：Ballmann Stefan; Hieringer Wolfgang; Secker Daniel; Zheng Qinglin; Gladysz John A; Goerling Andreas; Weber Heiko B^*

来源：ChemPhysChem, 2010, 11(10): 2256-2260.

DOI：10.1002/cphc.200900974

• density functional calculations
• electron transport
• mechanically controlled break junction
• molecular electronics
• oligoyne

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.

• 出版日期2010-7-12