Electronic transport behaviours of lead chalcogenide (PbE)n (E = S and Se) nanocluster junctions by ab initio simulation

RSC Advances ◽  
2014 ◽  
Vol 4 (27) ◽  
pp. 14221-14226 ◽  
Author(s):  
Rong Li ◽  
Jianbing Zhang ◽  
Yuanlan Xu ◽  
Xiangshui Miao ◽  
Daoli Zhang

All investigated (PbS)n and (PbSe)n nanocluster-based molecular junctions show metallic behavior at low biases (−2 V, 2 V) while negative differential resistance (NDR) appears at a certain high bias range.

2018 ◽  
Vol 32 (29) ◽  
pp. 1850323
Author(s):  
Ting Ting Zhang ◽  
Cai Juan Xia ◽  
Bo Qun Zhang ◽  
Xiao Feng Lu ◽  
Yang Liu ◽  
...  

The electronic transport properties of oligo p-phenylenevinylene (OPV) molecule sandwiched with symmetrical or asymmetric tailoring graphene nanoribbons (GNRs) electrodes are investigated by nonequilibrium Green’s function in combination with density functional theory. The results show that different tailored GNRs electrodes can modulate the current–voltage characteristic of molecular devices. The rectifying behavior can be observed with respect to electrodes, and the maximum rectification ratio can reach to 14.2 in the asymmetric AC–ZZ GNRs and ZZ–AC–ZZ GNRs electrodes system. In addition, the obvious negative differential resistance can be observed in the symmetrical AC-ZZ GNRs system.


Nanoscale ◽  
2013 ◽  
Vol 5 (13) ◽  
pp. 5715 ◽  
Author(s):  
Jianfeng Zhou ◽  
Satyabrata Samanta ◽  
Cunlan Guo ◽  
Jason Locklin ◽  
Bingqian Xu

2000 ◽  
Vol 77 (8) ◽  
pp. 1224-1226 ◽  
Author(s):  
J. Chen ◽  
W. Wang ◽  
M. A. Reed ◽  
A. M. Rawlett ◽  
D. W. Price ◽  
...  

2013 ◽  
Vol 27 (16) ◽  
pp. 1350121 ◽  
Author(s):  
YUNJIN YU ◽  
YAOYU LI ◽  
LANGHUI WAN ◽  
BIN WANG ◽  
YADONG WEI

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.


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