Strain engineering to improve the optical and photocatalytic properties of the AlN and GaN nanosheets

Suitable semiconductor-based photocatalytic development is essential for addressing energy and environmental problems. In particular, water-splitting photocatalytic is an interesting nanomaterial. In this study, we used AlN and GaN nanosheets (2D monolayer) to study the optical, electrical, and photocatalytic properties as a function of the strain, and we examined the results using the density functional theory. Our results showed that the AlN and GaN nanosheets (2D monolayer) have a bandgap of 4.34 eV/3.90 eV according to the HSE06 hybrid functional. In addition, under biaxial tensile strain, the photocatalytic properties and hydrogen production are improved, as is the reduction in the bandgap for AlN and GaN nanosheets. We predict that our material under tensile will be suitable for photocatalytic applications.