The effects of metal-cluster on electronic transport of graphene with vacancy studied by first-principles

被引：5
作者：
Zhang, Peng [1 ,2 ]
Song, Quan [1 ,2 ]
Zhuang, Jun [3 ]
Ning, Xi-Jing [1 ,2 ]
机构：
[1] Fudan Univ, Inst Modern Phys, Shanghai 200433, Peoples R China
[2] Fudan Univ, Appl Ion Beam Phys Lab, Shanghai 200433, Peoples R China
[3] Fudan Univ, Dept Opt Sci & Engn, Shanghai 200433, Peoples R China
来源：
SUPERLATTICES AND MICROSTRUCTURES | 2017年 / 109卷
基金：
中国国家自然科学基金;
关键词：
Graphene; Metal adsorption; Conductance; PSEUDOPOTENTIALS;
D O I：
10.1016/j.spmi.2017.04.027
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The configurations of Agn (n = 1-6) clusters adsorbed at the single and double vacancies of graphene were obtained by density functional theory, and the effect on the electronic transport was studied by non-equilibrium Green's function. It was shown that the conductance of graphene with the clusters adsorbed at the vacancies (concentration of 0.8 at%) increases monotonically with the adsorption energy, which oscillates as 'n' increasing from 1 to 6, and the conductance of the defective graphene can be improved by more than 20% (or 50%) if some of the clusters are adsorbed at the vacancies. (C) 2017 Elsevier Ltd. All rights reserved.
引用
收藏
页码：47 / 53
页数：7
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