Theoretical investigation of electronic transport mechanism in molecular junction by tunneling

2021 ◽  
Vol 607 ◽  
pp. 412705
Author(s):  
Mayra Moura-Moreira ◽  
Denner F.S. Ferreira ◽  
Jordan Del Nero
Keyword(s):  
Theoretical Investigation ◽  
Electronic Transport ◽  
Transport Mechanism ◽  
Molecular Junction

Effect of torsion angle on electronic transport through different anchoring groups in molecular junction

2009 ◽  
Vol 373 (41) ◽  
pp. 3787-3794 ◽  
Author(s):  
Cai-Juan Xia ◽  
Chang-Feng Fang ◽  
Peng Zhao ◽  
Shi-Jie Xie ◽  
De-Sheng Liu
Keyword(s):  
Electronic Transport ◽  
Torsion Angle ◽  
Molecular Junction ◽  
Anchoring Groups

Electronic transport property of 4,4′-bipyridine molecular junction

2005 ◽  
Vol 105 (1-4) ◽  
pp. 293-298 ◽  
Author(s):  
Qunxiang Li ◽  
Xiaojun Wu ◽  
Jing Huang ◽  
Jinlong Yang
Keyword(s):  
Transport Property ◽  
Electronic Transport ◽  
Molecular Junction ◽  
Electronic Transport Property

THE INFLUENCE OF THE COUPLING STRENGTH ON THE ELECTRON TRANSPORT THROUGH THE BENZENE-1,4-DITHIOLATE MOLECULAR JUNCTION

2013 ◽  
Vol 27 (16) ◽  
pp. 1350121 ◽  
Author(s):  
YUNJIN YU ◽  
YAOYU LI ◽  
LANGHUI WAN ◽  
BIN WANG ◽  
YADONG WEI
Keyword(s):  
Electron Transport ◽  
Electronic Transport ◽  
Coupling Strength ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Resonant State ◽  
Differential Resistance ◽  
Stable Configuration ◽  
Molecular Junction ◽  
Aluminum Metal

The electronic transport properties of one benzene-1,4-dithiolate molecule coupled by two aluminum metal leads were investigated by using first-principles method. The influence of the coupling distance between the molecule and the electrodes on I–V curve was studied thoroughly. Our calculations showed that when the system is in the most stable configuration, where the system total energy is the lowest, and the electron transport is in off-resonant state. Starting from the most stable configuration, when we gradually increase the distance between the molecule and electrodes and so decreasing the coupling strength of the molecule and electrodes, the conductance, as well as the I–V curve, does not decrease immediately but increase quickly at first. Only when we separate the molecule and electrodes far enough, the current begins to drop quickly. The total scattering charge density was presented in order to understand this phenomenon. A one-level quantum dot model is used to explain it. Finally, negative differential resistance was observed and analyzed.

Effects of Contact Atomic Structure on Electronic Transport in Molecular Junction

2008 ◽  
Vol 25 (5) ◽  
pp. 1840-1843 ◽  
Author(s):  
Xia Cai-Juan ◽  
Fang Chang-Feng ◽  
Hu Gui-Chao ◽  
Zhao Peng ◽  
Wang Yi-Ming ◽  
...  
Keyword(s):  
Electronic Transport ◽  
Atomic Structure ◽  
Molecular Junction

EFFECT OF TORSION ANGLE IN 4,4′-BIPHENYLDITHIOL FUNCTIONALIZED MOLECULAR JUNCTION

2011 ◽  
Vol 25 (05) ◽  
pp. 699-710
Author(s):  
CAI-JUAN XIA ◽  
CHANG-FENG FANG ◽  
PENG ZHAO ◽  
DE-SHENG LIU
Keyword(s):  
Electronic Transport ◽  
First Principles ◽  
Torsion Angle ◽  
Switching Behavior ◽  
Molecular Junction ◽  
Side Group ◽  
First Principles Calculations ◽  
Molecular Memory ◽  
Torsion Angles ◽  
Phenyl Rings

Based on nonequilibrium Green's function and first-principles calculations, we investigate the electronic transport properties of 4,4′-biphenyldithiol functionalized molecular junction with different torsion angles between two phenyl rings. Numerical results show that torsion angle plays an important role in the conducting behavior of molecular junction. By changing the torsion angle, molecule can exhibit a switching behavior. Especially, when the molecule is functionalized with NO 2 side group, it will perform a molecular memory effect. Furthermore, effects of different adsorption positions of sulfur atom on molecular memory are also discussed.

scholarly journals The electronic transport mechanism in amorphous tetrahedrally-coordinated carbon films

1998 ◽  
Author(s):  
J.P. Sullivan ◽  
T.A. Friedmann ◽  
R.G. Dunn ◽  
E.B. Stechel ◽  
P.A. Schultz
Keyword(s):  
Electronic Transport ◽  
Transport Mechanism ◽  
Carbon Films

Multiscale electronic transport mechanism and true conductivities in amorphous carbon–LiFePO4nanocomposites

2012 ◽  
Vol 22 (6) ◽  
pp. 2641-2649 ◽  
Author(s):  
K. A. Seid ◽  
J.-C. Badot ◽  
O. Dubrunfaut ◽  
S. Levasseur ◽  
D. Guyomard ◽  
...  
Keyword(s):  
Amorphous Carbon ◽  
Electronic Transport ◽  
Transport Mechanism
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