Mechanism of the enhanced conductance of a molecular junction under tensile stress

  title={Mechanism of the enhanced conductance of a molecular junction under tensile stress},
  author={Alireza Saffarzadeh and Firuz Demir and George Kirczenow},
  journal={Physical Review B},
Despite its fundamental importance for nano physics and chemistry and potential device applications, the relationship between atomic structure and electronic transport in molecular nanostructures is not well understood. Thus the experimentally observed increase of the conductance of some molecular nano junctions when they are stretched continues to be counterintuitive and controversial. Here we explore this phenomenon in propanedithiolate molecules bridging gold electrodes by means of {\em ab… 
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Nanoscale 5
  • 3654
  • 2013
  • Nanotechnol. 7, 35
  • 2012
Nano Lett
  • 11, 3734
  • 2011
and N
  • Agraı̈t, Nano. Lett. 8, 1673
  • 2008
  • Rev. Lett. 101, 106801 (2008). 045431-5 SAFFARZADEH, DEMIR, AND KIRCZENOW PHYSICAL REVIEW B 89, 045431
  • 2014
  • Rev. B 84, 180408(R) (2011); ,85, 245415 (2012); ,87, 121403(R)
  • 2013
  • 134, 121103
  • 2011
and A
  • J. Roque da Silva, ACS Nano 5, 795
  • 2011