期刊论文

Zeng, Jing;Chen, Ke-Qiu

英文

Carbon

0008-6223

2018

127

611-617

10.1016/j.carbon.2017.11.047

This work was supported by the National Natural Science Foundation of China (Grant No. 61401151 and 11674092 ), by the Hunan Provincial Natural Science Foundation of China (Grant No. 2015JJ3028 ), by the Science and Technology Plan Project of Hunan Province ( 2016TP1020 ), by the Science and Technology Development Plan Project in Hengyang City (Grant No. 2017KJ159 ), and by the Construct Program of the Key Discipline in Hunan Province .

本校为第一且通讯机构

Recently, He et al. succeeded in covalently linking porphines to graphene edges on a Ag(111) substrate by dehydrogenative coupling [Nat. Chem. 9 (1) (2017) 33–38], thus created a new hybrid material with tunable functionalities. Motivated by this work, we further investigate the electron transport properties of three porphine/graphene coupling motifs observed by scanning-probe technology with submolecular resolution in the experiment. By using density-functional theory combined with the Keldysh nonequilibrium Green's technique, we find many in...