Theoretical prediction of electronic properties and contact barriers in a metal/semiconductor NbS₂/Janus MoSSe van der Waals heterostructure.

ABSTRACT: The emergence of van der Waals (vdW) heterostructures, which consist of vertically stacked two-dimensional (2D) materials held together by weak vdW interactions, has introduced an innovative avenue for tailoring nanoelectronic devices. In this study, we have theoretically designed a metal/semiconductor heterostructure composed of NbS₂ and Janus MoSSe, and conducted a thorough investigation of its electronic properties and the formation of contact barriers through first-principles calculations. The effects of stacking configurations and the influence of external electric fields in enhancing the tunability of the NbS₂/Janus MoSSe heterostructure are also explored. Our findings demonstrate that the NbS₂/MoSSe heterostructure is not only structurally and therma

SUBMITTER: Nha PH 

PROVIDER: S-EPMC10863720 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature