Effect of Gate Electric Field on Single Organic Molecular Devices  

门电场对有机单分子器件的影响

作　　者：李宗良[1] 傅潇潇[1] 张广平[1] 王传奎[1] 

机构地区：[1]山东师范大学物理与电子科学学院,济南250014

出　　处：《Chinese Journal of Chemical Physics》2013年第2期185-190,I0004,共7页化学物理学报（英文）

基　　金：This work was supported by the National Natural Science Foundation of China （No.10804064 and No.10974121）.

摘　　要：Based on the first-principles computational method and elastic scattering Green＇s function theory, we have investigated the effect of gate electric field on electronic transport properties of a series of single organic molecular junctions theoretically. The numerical results show that the molecular junctions that have redox centers and relatively large dipole moments parallel gate direction can respond to the gate electric field remarkably. The current-voltage properties of 2,5-dimethyl-thiophene-dithiol present N-channel-metal-oxide-semiconductorlike characteristics. Its distinct current-voltage properties can be understood from the evo- lution of eigenvalues, coupling energies, and atomic charges with gate electric field.

关 键 词：Gate electric field Molecular junction Electronic transport property 

分 类 号：O6[理学—化学]