Effect of dithiocarboxylate anchoring group on electronic transport in 4,4-biphenyldithiol molecular junction
Using nonequilibrium Green’s function and firstprinciples calculations, we investigate the effects of different molecular conformations induced by torsion angle on electronic transport and their stability in 4,4-biphenyl bis (dithiocarboxylate) molecular junction under an applied electric field. The results indicate that there are two stable conformations existed in this molecular junction as external bias increasing. An electric field can be used to “switch one conformation to the other, and there is an abrupt change in the degree of torsion angle in this process. This change is expected to cause a conductance switching in the system. Furthermore, the transport mechanism of this conformational molecular switch is discussed in detail.
Conformational molecular switch Electronic transport Molecular electronics First-principles calculations
Caijuan Xia Hancheng Liu Pengfei Cheng Changfeng Fang
School of Science, Xian Polytechnic University, Xian 710048, China School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100,Chin
国际会议
2009 International Symposium on Liquid Crystal Science and Technology(2009国际液晶科技研讨会)
昆明
英文
232-236
2009-08-02（万方平台首次上网日期，不代表论文的发表时间）