摘要
利用从头计算方法和弹性散射格林函数理论,研究了对苯二氰分子结在不同电极距离下的电输运特性.计算结果表明,不同电极距离下,该分子结的伏安特性有较大变化,即随着电极距离的增加,分子结的电流减小.
Basing on ab initio method and the elastic scattering Green function theory,we have investigated the electronic transport properties of 1,4-dicyanobenzene with the different distances between electrodes.Numerical results show that with different distances between electrodes the electronic transport properties have distinct differences.Namely,at the same voltage,current decreases with the increased length between electrodes.
出处
《山东师范大学学报（自然科学版）》
CAS
2007年第4期53-54,共2页
Journal of Shandong Normal University(Natural Science)
基金
国家自然科学基金资助项目(10674084)
关键词
电极距离
伏-安特性
分子电子学
distance of electrodes
current-voltage curves
molecular electronics
