Molecular design of negative differential resistance device through intermolecular interaction

被引：55
|
作者：
Geng, Hua [1 ]
Hu, Yibin [2 ]
Shuai, Zhigang [1 ]
Xia, Ke [2 ]
Gao, Hongjun [2 ]
Chen, Keqiu [3 ]
机构：
[1] Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, Key Lab Organ Solids, Beijing 100080, Peoples R China
[2] Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China
[3] Hunan Univ, Dept Phys, Changsha 410082, Peoples R China
来源：
JOURNAL OF PHYSICAL CHEMISTRY C | 2007年 / 111卷 / 51期
关键词：
D O I：
10.1021/jp077533f
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
By applying nonequilibrium Green's functions coupled with first-principles electronic structures, we investigate the transport properties of the molecule device with a donor-acceptor molecular complex sandwiched between two electrodes. The results show that the system manifests negative differential resistance (NDR) behavior. It is found that the orbital match of molecule and electrodes as well as intermolecular charge transfer are responsible for the NDR behavior.
引用
收藏
页码：19098 / 19102
页数：5
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