First-principles investigation on transport properties of $$\hbox {Zn}_{2}\hbox {SnO}_{4}$$ Zn 2 SnO 4 molecular device and response toward $$\hbox {NO}_{2}$$ NO 2 gas molecules

2017 ◽  
Vol 17 (1) ◽  
pp. 1-8 ◽  
Author(s):  
V. Nagarajan ◽  
G. Dhivya ◽  
R. Chandiramouli
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Molecular Device ◽  
Gas Molecules

Negative Differential Resistance Induced by Intermolecular Interaction in Molecular Device

2011 ◽  
Vol 181-182 ◽  
pp. 312-315
Author(s):  
Cai Juan Xia ◽  
Ying Tang Zhang ◽  
Xue Jun Zai
Keyword(s):  
Charge Transfer ◽  
Transport Properties ◽  
Molecular Complex ◽  
First Principles ◽  
Negative Differential Resistance ◽  
Differential Resistance ◽  
First Principles Calculation ◽  
Molecular Device ◽  
Applied Bias ◽  
Donor Acceptor

Based on nonequilibrium Green’s function and first-principles calculation, we investigate the transport properties of the molecule device with a donor-acceptor molecular complex sandwiched between two electrodes. Numerical results show that a negative differential resistance under applied bias can be observed. The mechanism of negative differential resistance is mainly induced by the orbital match of molecule and electrodes as well as intermolecular charge transfer.

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