Current rectification by asymmetric molecules: An ab initio study

Yan-hong Zhou, Xiao-hong Zheng, Ying Xu +1

We study current rectification effect in an asymmetric molecule HOOC-C${}_6$H${}_4$-(CH${}_2$)${}_n$ sandwiched between two Aluminum electrodes using an {\sl ab initio} nonequilibrium Gree…