Electric field tunability of the electronic properties and contact types in the MoS2/SiH heterostructure

Abstract

The generation of layered heterostructures with type-II band alignment is considered to be an effective tool for the design and fabrication of a highly efficient photocatalyst. In this work, we design a novel type-II MoS₂/SiH HTS and investigate its atomic structure, electronic properties and contact types. In the ground state, the MoS₂/SiH HTS is proved to be structurally and mechanically stable. The MoS₂/SiH HTS generates type-II band alignment with separation of the photogenerated carriers. Both the electronic properties and contact type of the MoS₂/SiH HTS can be modulated by an external electric field. The application of a negative electric field leads to a transformation from type-II to type-I band alignment. While the application of a positive electric field gives rise to a transition from semiconductor to metal in the MoS₂/SiH HTS. These results could provide useful information for the design and fabrication of photoelectric devices on the MoS₂/SiH HTS.