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Kohji Nakamura
Graduate School of Engineering, Mie University, 1577 Kurimamachiya-cho, Tsu city, Mie 514-8507, Japan
Chemical Engineering, Chemistry & Bioengineering Chemistry

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Electronic Structures of Graphene/MoS2 Heterostructure: Effects of Stacking Orientation, Element Substitution, and Interlayer Distance Dian Putri Hastuti; Kenji Nawa; Kohji Nakamura
Indonesian Journal of Chemistry Vol 23, No 1 (2023)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.75538

Abstract

Effects of stacking orientation, element substitution, and interlayer distance on electronic structures of graphene/MoS2 heterostructures were investigated using first-principles calculations. The results predicted that the stacking orientation does not take a crucial role in changing the electronic structures in contrast to element substitution, which converts the system from semiconductor to metallic. A bandgap opening originating in a Dirac band of graphene is found to be governed by the interface distance between graphene and MoS2 layers.
Co-Authors Dian Putri Hastuti Kenji Nawa