The flourish of two-dimensional (2D) supplies supplies a flexible platform for constructing high-performance digital gadgets within the atomic thickness regime. Nevertheless, the presence of the excessive Schottky barrier on the interface between the metallic electrode and the 2D semiconductors, which dominates the injection and transport effectivity of carriers, all the time limits their sensible functions. Herein, we present that the Schottky barrier could be controllably lifted within the heterostructure consisting of Janus MoSSe and 2D vdW metals by totally different means. Based mostly on density practical idea calculations and machine studying modelings, we studied {the electrical} contact between semiconducting monolayer MoSSe and varied metallic 2D supplies, the place a crossover from Schottky to Ohmic/quasi-Ohmic contact is realized. We demonstrated that the band alignment on the interface of the investigated metal-semiconductor junctions (MSJs) deviates from the perfect Schottky–Mott restrict due to the Fermi-level pinning results induced by the interface dipoles. Apart from, the impact of the thickness and utilized biaxial pressure of MoSSe on the digital construction of the junctions are explored and located to be highly effective tuning knobs for electrical contact engineering. It’s highlighted that utilizing the sure-independence-screening-and-sparsifying-operator machine studying technique, a common descriptor WM3/exp(Dint) was developed, which permits the prediction of the Schottky barrier top for various MoSSe-based MSJ. These outcomes present beneficial theoretical steerage for realizing excellent Ohmic contacts in digital gadgets based mostly on the Janus MoSSe semiconductors.
