Janus MoSH/WSi 2 N 4 van der Waals Heterostructure: Two-Dimensional Metal/Semiconductor Contact.

Constructing heterostructures from already synthesized two-dimensional materials is of significant importance. We performed a first-principles study to investigate the electronic properties and interfacial characteristics of Janus MoSH/WSi 2 N 4 van der Waals heterostructure (vdWH) contacts. We demonstrate that the p-type Schottky formed by MoSH/WSi 2 N 4 and MoHS/WSi 2 N 4 has extremely low Schottky barrier heights (SBHs). Due to its excellent charge injection efficiency, Janus MoSH may be regarded as an effective metal contact for WSi 2 N 4 semiconductors. Furthermore, the interfacial characteristics and electronic structure of Janus MoSH/WSi 2 N 4 vdWHs can not only reduce/eliminate SBH, but also forms the transition from p-ShC to n-ShC type and from Schottky contact (ShC) to Ohmic contact (OhC) through the layer spacing and electric field. Our results can offer a fresh method for optoelectronic applications based on metal/semiconductor Janus MoSH/WSi 2 N 4 vdW heterostructures, which have strong potential in optoelectronic applications.