First-principles design of a bifunctional InP/GaTe vdW heterostructure for high-efficiency photocatalytic and photovoltaic applications
Developing high-performance two-dimensional (2D) photocatalysts is essential for efficient solar-driven water splitting. Here, a novel InP/GaTe van der Waals (vdW) heterostructure is investigated using first-principles density functional theory calculations. The material exhibits an indirect bandgap of 1.64 eV and ther...