Single-molecule electric revolving door

Liang Yan Hsu, Elise Y. Li, Herschel Rabitz

Research output: Contribution to journalArticlepeer-review

25 Scopus citations


This work proposes a new type of molecular machine, the single-molecule electric revolving door, which utilizes conductance dependence upon molecular conformation as well as destructive quantum interference. We perform electron transport simulations in the zero-bias limit using the Landauer formalism together with density functional theory. The simulations show that the open- and closed-door states, accompanied by significant conductance variation, can be operated by an external electric field. The large on-off conductance ratio (∼105) implies that the molecular machine can also serve as an effective switching device. The simultaneous control and detection of the door states can function at the nanosecond scale, thereby offering a new capability for molecular-scale devices.

Original languageEnglish (US)
Pages (from-to)5020-5025
Number of pages6
JournalNano Letters
Issue number11
StatePublished - Nov 13 2013

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • Condensed Matter Physics
  • Mechanical Engineering
  • Bioengineering
  • General Materials Science


  • Molecular machine
  • conductance
  • density-functional theory
  • molecular electronics
  • molecular switch
  • quantum transport


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