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Influence of Conformation on Conductance of Biphenyl-Dithiol Single-Molecule Contacts

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2010

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Mishchenko, Artem
Vonlanthen, David
Meded, Velimir
Li, Chen
Pobelov, Ilya V.
Evers, Ferdinand
Mayor, Marcel
Wandlowski, Thomas
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https://doi.org/10.1021/nl903084b
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Nano Letters. 2010, 10(1), pp. 156-163. ISSN 1530-6984. eISSN 1530-6992. Available under: doi: 10.1021/nl903084b

Zusammenfassung

The conductance of a family of biphenyl-dithiol derivatives with conformationally fixed torsion angle was measured using the scanning tunneling microscopy (STM)-break-junction method. We found that it depends on the torsion angle φ between two phenyl rings; twisting the biphenyl system from flat (φ = 0°) to perpendicular (φ = 90°) decreased the conductance by a factor of 30. Detailed calculations of transport based on density functional theory and a two level model (TLM) support the experimentally obtained cos2 φ correlation between the junction conductance G and the torsion angle φ. The TLM describes the pair of hybridizing highest occupied molecular orbital (HOMO) states on the phenyl rings and illustrates that the π−π coupling dominates the transport under “off-resonance” conditions where the HOMO levels are well separated from the Femi energy.

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ISO 690MISHCHENKO, Artem, David VONLANTHEN, Velimir MEDED, Marius BÜRKLE, Chen LI, Ilya V. POBELOV, Fabian PAULY, Ferdinand EVERS, Marcel MAYOR, Thomas WANDLOWSKI, 2010. Influence of Conformation on Conductance of Biphenyl-Dithiol Single-Molecule Contacts. In: Nano Letters. 2010, 10(1), pp. 156-163. ISSN 1530-6984. eISSN 1530-6992. Available under: doi: 10.1021/nl903084b
BibTex
@article{Mishchenko2010-01-13Influ-35903,
  year={2010},
  doi={10.1021/nl903084b},
  title={Influence of Conformation on Conductance of Biphenyl-Dithiol Single-Molecule Contacts},
  number={1},
  volume={10},
  issn={1530-6984},
  journal={Nano Letters},
  pages={156--163},
  author={Mishchenko, Artem and Vonlanthen, David and Meded, Velimir and Bürkle, Marius and Li, Chen and Pobelov, Ilya V. and Pauly, Fabian and Evers, Ferdinand and Mayor, Marcel and Wandlowski, Thomas}
}
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