Rectifying behaviors of an Au/(C-20)(2)/Au molecular device induced by the different positions of gate voltage

The electronic transport properties of a gated Au/(C-20)(2)/Au molecular device are studied using nonequilibrium Greens function in combination with density functional theory. The results show that different applied positions of the external transverse gate voltage can effectively tune the current-v...

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Published in:RSC advances 2012, Vol.2 (30), p.11349
Main Authors: Ji, Guomin, Xu, Yuqing, Cui, Bin, Fang, Chang-feng, Kong, Xiangru, Li, Dongmei, Liu, Desheng
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Language:English
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container_title RSC advances
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creator Ji, Guomin
Xu, Yuqing
Cui, Bin
Fang, Chang-feng
Kong, Xiangru
Li, Dongmei
Liu, Desheng
description The electronic transport properties of a gated Au/(C-20)(2)/Au molecular device are studied using nonequilibrium Greens function in combination with density functional theory. The results show that different applied positions of the external transverse gate voltage can effectively tune the current-voltage (I-V) characteristic of molecular devices. Rectifying behaviors of the device can be realized when the gate voltage is applied asymmetrically on the left C-20 molecule, and the rectification directions can also be modulated by the positive or negative value of the gate voltage. These results provide an important theoretical support to experiments and the design of a molecular rectifier.
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title Rectifying behaviors of an Au/(C-20)(2)/Au molecular device induced by the different positions of gate voltage
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