Abstract

The great success of graphene has triggered an enormous amount of interest in the search for new 2D materials. These materials open up excellent opportunities for nanoelectronics, optoelectronics and photocatalysis. Here, we designed a new 2D sheet of tin sulfide with space group Cmme (67), known as Cmme-SnS using first-principles calculations. Cmme-SnS is a semiconductor with an indirect electronic band gap of 2.13 eV between Γ and M–X directions. It exhibits energetic, dynamical, mechanical, and thermal stability. This material shows direction-dependent transport properties where mobilities are mainly hole-dominated. We also observed significant improvement in the optical absorption in the visible region compared to monolayer SnS2. Interestingly, the well-located band edge positions and the appropriate band gap make this 2D material suitable for visible-light-driven photocatalytic water splitting.