利用密度泛函理论结合非平衡格林函数方法，研究了不同拓扑能带结构的石墨烯电极分子器件输运特性.结果表明器件导通电压与电极禁带宽度正相关，同时器件在输运过程中表现出负微分电阻特性，峰谷电流比可达2697.分析认为器件导通源自于偏压升高过程中两电极能带匹配.器件负微分电阻特性源自于偏压升高过程中两电极能带交错.散射态分析表明，能带匹配后散射态分布较为离域，有利于电子通过器件.能带交错后散射态局域于电极处，表明电子输运受到抑制.
Zi-Han Zhang合作论文数2Jin-Dou Ru合作论文数1Haiying Xing (邢海英)合作论文数School of Electrical and Electronic Engineering, Tiangong University1
Jinhai Wang (王金海)合作论文数School of Life Sciences, Tiangong University;Institute of Biomedical Engineering, Chinese Academy of Medical Sciences1
Zhiying Guo (郭志英)合作论文数Institute of High Energy Physics, Chinese Academy of Sciences;University of the Chinese Academy of Sciences1
