Interference and molecular transport-a dynamical view

Time-dependent analysis of disubstituted benzenes

Shuguang Chen, Yu Zhang, Siukong Koo, Heng Tian, Chiyung Yam, Guanhua Chen, Mark A Ratner

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

The primary issue in molecular electronics is measuring and understanding how electrons travel through a single molecule strung between two electrodes. A key area involves electronic interference that occurs when electrons can follow more than one pathway through the molecular entity. When the phases developed along parallel pathways are inequivalent, interference effects can substantially reduce overall conductance. This fundamentally interesting issue can be understood using classical rules of physical organic chemistry, and the subject has been examined broadly. However, there has been little dynamical study of such interference effects. Here, we use the simplest electronic structure model to examine the coherent time-dependent transport through meta- and para-linked benzene circuits, and the effects of decoherence. We find that the phase-caused coherence/decoherence behavior is established very quickly (femtoseconds), that the localized dephasing at any site reduces the destructive interference of the meta-linked species (raising the conductance), and that thermal effects are essentially ineffectual for removing coherence effects.

Original languageEnglish
Pages (from-to)2748-2752
Number of pages5
JournalJournal of Physical Chemistry Letters
Volume5
Issue number15
DOIs
Publication statusPublished - Aug 7 2014

Fingerprint

Benzene
benzene
interference
Molecular electronics
Electrons
Thermal effects
Electronic structure
organic chemistry
Electrodes
Molecules
phase coherence
Networks (circuits)
molecular electronics
travel
temperature effects
electrons
strings
electronic structure
electrodes
electronics

Keywords

  • decoherence
  • molecular electronics
  • quantum interference
  • quantum transport
  • transient current
  • transistor

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Interference and molecular transport-a dynamical view : Time-dependent analysis of disubstituted benzenes. / Chen, Shuguang; Zhang, Yu; Koo, Siukong; Tian, Heng; Yam, Chiyung; Chen, Guanhua; Ratner, Mark A.

In: Journal of Physical Chemistry Letters, Vol. 5, No. 15, 07.08.2014, p. 2748-2752.

Research output: Contribution to journalArticle

Chen, Shuguang ; Zhang, Yu ; Koo, Siukong ; Tian, Heng ; Yam, Chiyung ; Chen, Guanhua ; Ratner, Mark A. / Interference and molecular transport-a dynamical view : Time-dependent analysis of disubstituted benzenes. In: Journal of Physical Chemistry Letters. 2014 ; Vol. 5, No. 15. pp. 2748-2752.
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