Optical Properties of Graphene/MoS2 Heterostructure: First Principles Calculations

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. Redshift...

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Published inNanomaterials (Basel, Switzerland) Vol. 8; no. 11; p. 962
Main Authors Qiu, Bin, Zhao, Xiuwen, Hu, Guichao, Yue, Weiwei, Ren, Junfeng, Yuan, Xiaobo
Format Journal Article
LanguageEnglish
Published Switzerland MDPI AG 21.11.2018
MDPI
Subjects
Absorptivity
Density functional theory
Electronic structure
Energy
Energy dissipation
Energy gap
Energy loss
First principles
Graphene
graphene/MoS2 heterostructure
Heterostructures
Molybdenum disulfide
Nanoparticles
Optical properties
Phase transitions
Principles
Quantum dots
Reflectance
Refractivity
Two dimensional materials
China
graphene/MoS2 heterostructure
optical properties
electronic structure
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Summary: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.
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ISSN:2079-4991
2079-4991
DOI:10.3390/nano8110962