期刊论文

Zhang, Z. H.

英文

Carbon

0008-6223

2014

80

1

575-582

10.1016/j.carbon.2014.08.098

This work was supported by the National Natural Science Foundation of China (Grant Nos. 61371065 , 61101009 , 61201080 , and 51302022 ), the Construct Program of the Key Discipline in Hunan Province , Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province .

本校为第一且通讯机构

To achieve an excellent rectification for molecular rectifiers has been an unmet goal to date. Here, we report calculated results on high-performance molecular rectifiers, where two semi-infinite graphene electrodes are periodically doped with boron and nitrogen atoms, respectively. It is surprising to find that there exists a particular coupling selection for energy bands of electrodes to the central molecule and unique bias-polarity-dependent band matching relations between two electrodes, leading to an unexpectedly high rectification ratio (>109) in a large bias region. This is a much hi...