Janus MoSH/WSiN 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/WSiN van der Waals heterostructure (vdWH) contacts. We demonstrate that the p-type Schottky formed by MoSH/WSiN and MoHS/WSiN 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 WSiN semiconductors. Furthermore, the interfacial characteristics and electronic structure of Janus MoSH/WSiN 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/WSiN vdW heterostructures, which have strong potential in optoelectronic applications.