Abstract
Two-dimensional (2D) indium selenium (InSe) nanosheet and nitrogenated holey structure (C2N) have been successfully fabricated and show the potential in photocatalytic applications. Herein, we employ hybrid density function theory to study the structural, optical, and electric properties of InSe/C2N van der Waals (vdW) heterostructure. Compared with InSe and C2N monolayers, InSe/C2N heterojunction with desirable moderate bandgap and type-II band alignment can completely separate the electron-hole pairs. Their optical absorptions are definitely strengthened in the ultraviolet and visible (UV-VIS) light regions. Moreover, InSe/C2N heterojunction applied with 3% compressive strain can be adjusted to direct bandgap semiconductor. Thus, the InSe/C2N heterojunction is a promising visible-light driven catalyst for efficient water splitting.
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