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

@article{Saffarzadeh2014MechanismOT,
  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},
  year={2014},
  volume={89},
  pages={045431}
}
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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References

SHOWING 1-10 OF 30 REFERENCES
"J."
however (for it was the literal soul of the life of the Redeemer, John xv. io), is the peculiar token of fellowship with the Redeemer. That love to God (what is meant here is not God’s love to men)
APPL
Statistical packages have been used for decades to analyze large datasets or to perform mathematically intractable statistical methods. These packages are not capable of working with random variables
Nanoscale 5
  • 3654
  • 2013
Nat
  • Nanotechnol. 7, 35
  • 2012
Nano Lett
  • 11, 3734
  • 2011
and N
  • Agraı̈t, Nano. Lett. 8, 1673
  • 2008
Phys
  • Rev. Lett. 101, 106801 (2008). 045431-5 SAFFARZADEH, DEMIR, AND KIRCZENOW PHYSICAL REVIEW B 89, 045431
  • 2014
Phys
  • Rev. B 84, 180408(R) (2011); ,85, 245415 (2012); ,87, 121403(R)
  • 2013
Phys
  • 134, 121103
  • 2011
and A
  • J. Roque da Silva, ACS Nano 5, 795
  • 2011
...
1
2
3
...