The gating efficiency of single-molecule transistors

Chao Cheng Kaun*, Tamar Seideman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Scopus citations


Using self-consistent first principles calculations, we study the gating efficiency of fullerene-based single-molecule transistors. We find that the efficiency depends sensitively on the geometry of the gate electrode and on the contact coupling between the molecule and the source and drain electrodes. In particular, a 4-rectangles gate electrode that surrounds the junction is substantially more effective than a conventional single-rectangle gate electrode. As the coupling strength of the molecule to the source-drain electrode is reduced, the underlying molecular orbitals localize in space and are more readily shifted, giving rise to enhanced gating efficiency.

Original languageEnglish (US)
Pages (from-to)951-956
Number of pages6
JournalJournal of Computational and Theoretical Nanoscience
Issue number6
StatePublished - Dec 2006


  • Fullerene junction
  • Gating efficiency
  • Molecular electronics
  • Nonequilibrium green function approach
  • Single-molecule transistor

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Computational Mathematics
  • Electrical and Electronic Engineering


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