Intermolecular effect in molecular electronics.

Journal Article (Journal Article)

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.

Full Text

Duke Authors

Cited Authors

  • Liu, R; Ke, S-H; Baranger, HU; Yang, W

Published Date

  • January 2005

Published In

Volume / Issue

  • 122 / 4

Start / End Page

  • 44703 -

PubMed ID

  • 15740279

Electronic International Standard Serial Number (EISSN)

  • 1089-7690

International Standard Serial Number (ISSN)

  • 0021-9606

Digital Object Identifier (DOI)

  • 10.1063/1.1825377


  • eng