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Mechanically controlled molecular orbital alignment in single molecule junctions.

Christopher Bruot1, Joshua Hihath, Nongjian Tao

  • 1Center for Bioelectronics and Biosensors, Biodesign Institute, School of Electrical, Energy and Computer Engineering, Arizona State University, Tempe, Arizona 85287-5801, USA.

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|December 6, 2011
PubMed
Summary
This summary is machine-generated.

Mechanical force dramatically alters molecular junction conductance. Stretching a 1,4-benzenedithiol molecular junction increases its electrical conductance by over tenfold, while compression decreases it, revealing strain-tunable electronic properties.

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Area of Science:

  • Molecular electronics
  • Nanotechnology
  • Condensed matter physics

Background:

  • Molecular electronics explores devices analogous to conventional semiconductor devices.
  • Molecular junctions enable control of charge transport via interplay between electrical and mechanical properties.
  • 1,4'-Benzenedithiol is a key molecule in molecular electronics research, with its molecular orbitals tunable by electric fields.

Purpose of the Study:

  • To investigate the electromechanical properties of 1,4'-benzenedithiol molecular junctions.
  • To understand how stretching and compression affect charge transport.
  • To clarify discrepancies in conductance measurements of 1,4'-benzenedithiol.

Main Methods:

  • Fabrication and characterization of 1,4'-benzenedithiol molecular junctions.
  • Simultaneous recording of current-voltage and conductance-voltage characteristics.
  • Inelastic electron tunneling spectroscopy (IETS).

Main Results:

  • Conductance of the molecular junction increases by over an order of magnitude upon stretching.
  • Conductance decreases upon compression of the junction.
  • Strain-induced shift of the highest occupied molecular orbital (HOMO) towards the electrode Fermi level causes resonant conductance enhancement.

Conclusions:

  • The study reveals counterintuitive electromechanical behavior in 1,4'-benzenedithiol molecular junctions.
  • Strain-induced orbital shifts are responsible for the observed conductance changes.
  • Findings reconcile theoretical predictions with experimental measurements of molecular conductance.