Interface contact and modulated electronic properties by in-plain strains in a graphene-MoS₂ heterostructure.

ABSTRACT: Designing a specific heterojunction by assembling suitable two-dimensional (2D) semiconductors has shown significant potential in next-generation micro-nano electronic devices. In this paper, we study the structural and electronic properties of graphene-MoS₂ (Gr-MoS₂) heterostructures with in-plain biaxial strain using density functional theory. It is found that the interaction between graphene and monolayer MoS₂ is characterized by a weak van der Waals interlayer coupling with the stable layer spacing of 3.39 Å and binding energy of 0.35 J m^-2. In the presence of MoS₂, the linear bands on the Dirac cone of graphene are slightly split. A tiny band gap about 1.2 meV opens in the Gr-MoS₂ heterojunction due to the breaking of s

SUBMITTER: Wang Q 

PROVIDER: S-EPMC9850458 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature