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Intermolecular effect in molecular electronics.

Publication ,  Journal Article
Liu, R; Ke, S-H; Baranger, HU; Yang, W
Published in: The Journal of chemical physics
January 2005

We investigate the effects of lateral interactions on the conductance of two molecules connected in parallel to semi-infinite leads. The method we use combines a Green function approach to quantum transport with density functional theory for the electronic properties. The system, modeled after a self-assembled monolayer, consists of benzylmercaptane molecules sandwiched between gold electrodes. We find that the conductance increases when intermolecular interaction comes into play. The source of this increase is the indirect interaction through the gold substrate rather than direct molecule-molecule interaction. A striking resonance is produced only 0.3 eV above the Fermi energy.

Duke Scholars

Published In

The Journal of chemical physics

DOI

EISSN

1089-7690

ISSN

0021-9606

Publication Date

January 2005

Volume

122

Issue

4

Start / End Page

44703

Related Subject Headings

  • Chemical Physics
  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences
 

Citation

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MLA
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Liu, R., Ke, S.-H., Baranger, H. U., & Yang, W. (2005). Intermolecular effect in molecular electronics. The Journal of Chemical Physics, 122(4), 44703. https://doi.org/10.1063/1.1825377
Liu, Rui, San-Huang Ke, Harold U. Baranger, and Weitao Yang. “Intermolecular effect in molecular electronics.The Journal of Chemical Physics 122, no. 4 (January 2005): 44703. https://doi.org/10.1063/1.1825377.
Liu R, Ke S-H, Baranger HU, Yang W. Intermolecular effect in molecular electronics. The Journal of chemical physics. 2005 Jan;122(4):44703.
Liu, Rui, et al. “Intermolecular effect in molecular electronics.The Journal of Chemical Physics, vol. 122, no. 4, Jan. 2005, p. 44703. Epmc, doi:10.1063/1.1825377.
Liu R, Ke S-H, Baranger HU, Yang W. Intermolecular effect in molecular electronics. The Journal of chemical physics. 2005 Jan;122(4):44703.

Published In

The Journal of chemical physics

DOI

EISSN

1089-7690

ISSN

0021-9606

Publication Date

January 2005

Volume

122

Issue

4

Start / End Page

44703

Related Subject Headings

  • Chemical Physics
  • 51 Physical sciences
  • 40 Engineering
  • 34 Chemical sciences
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences