Electronic properties of a graphene/periodic porous graphene heterostructure

被引：30

作者：

Lee, Junsu ^{[1
]}

Kim, Gunn ^{[1
,2
]}

机构：

[1] Sejong Univ, Dept Phys & Astron, Seoul 143747, South Korea

[2] Sejong Univ, Graphene Res Inst, Seoul 143747, South Korea

来源：

CARBON | 2017年 / 122卷

基金：

新加坡国家研究基金会;

关键词：

Density functional theory; Porous graphene; Vertical heterostructure; DIRAC FERMIONS;

D O I：

10.1016/j.carbon.2017.06.049

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Recently, two-dimensional van der Waals materials such as graphene and hexagonal boron nitride have attracted interest as research topics. The two-dimensional material of polyphenylene superhoneycomb network (PSN) is similarly interesting because it is a type of periodic porous graphene. In this paper, we report a first-principles study of the geometric and electronic properties of vertical heterostructures comprising graphene and PSN. AA, AA', and AB stacking configurations of a graphene sheet on a PSN sheet produce band gaps of 63, 16, and 3 meV, respectively. We also determine the relationships between the band gap and the interlayer distance between the graphene and PSN sheets. Finally, we present computationally simulated scanning tunneling microscopy images, which indicate the local electronic structures of the surfaces of the graphene and PSN sides. (C) 2017 Elsevier Ltd. All rights reserved.

引用

页码：281 / 286

页数：6

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