Optical Properties of Graphene/MoS2 Heterostructure: First Principles Calculations

被引：77

作者：

Qiu, Bin ^{[1
]}

Zhao, Xiuwen ^{[1
]}

Hu, Guichao ^{[1
]}

Yue, Weiwei ^{[1
,2
]}

Ren, Junfeng ^{[1
,2
]}

Yuan, Xiaobo ^{[1
]}

机构：

[1] Shandong Normal Univ, Sch Phys & Elect, Jinan 250014, Shandong, Peoples R China

[2] Shandong Normal Univ, Inst Mat & Clean Energy, Jinan 250014, Shandong, Peoples R China

来源：

NANOMATERIALS | 2018年 / 8卷 / 11期

基金：

中国国家自然科学基金;

关键词：

graphene; MoS2; heterostructure; optical properties; electronic structure; TOTAL-ENERGY CALCULATIONS; MOS2; MONOLAYER; TRANSITION; ELECTRODE; CATALYST;

D O I：

10.3390/nano8110962

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The electronic structure and the optical properties of Graphene/MoS2 heterostructure (GM) are studied based on density functional theory. Compared with single-layer graphene, the bandgap will be opened; however, the bandgap will be reduced significantly when compared with single-layer MoS2. Redshifts of the absorption coefficient, refractive index, and the reflectance appear in the GM system; however, blueshift is found for the energy loss spectrum. Electronic structure and optical properties of single-layer graphene and MoS2 are changed after they are combined to form the heterostructure, which broadens the extensive developments of two-dimensional materials.

引用

页数：10

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