Janus MoPC, MoSH, and VSSi Metal Electrodes Enabling Ohmic Contact with the InSe Monolayer

InSe monolayer is emerging as a promising channel material in field-effect transistors owing to outstanding charge transport properties. Nevertheless, the formation of a Schottky barrier at the metal/InSe contact interface remains a key challenge as it negatively impacts device performance. In this study, the contact properties of Janus metal (MoPC, MoSH, and VSSi)/InSe interfaces are systematically investigated by using density functional theory calculations. The results indicate that both sides of Janus MoPC and VSSi, along with the H atom side of Janus MoSH, can form Ohmic contacts with the InSe monolayer. Moreover, MoPC/InSe, MoSH/InSe, and VSSi/InSe interfaces exhibit high tunneling probabilities and low tunneling-specific resistivities, indicating efficient electron injection. Furthermore, the Schottky barrier height and contact type of MoSH/InSe interfaces can be tuned by applying external electric fields or by adjusting the interlayer distance. These findings demonstrate the potential application of Janus MoPC, MoSH, and VSSi as efficient electrodes in InSe-based electronic devices, advancing the development of next-generation nanodevices with Janus metal/InSe interfaces.