An overview of the significant innovations in photocatalysts for H 2 development, photocatalyst selection criteria, and photocatalytic modifications to improve the photocatalytic activity was examined in this Review, as well as mechanisms and thermodynamics. A variety of semiconductors have been examined in a structured fashion, such as TiO 2 -, g-C 3 N 4 -, graphene-, sulfide-, oxide-, nitride-, oxysulfide-, oxynitrides, and cocatalyst-based photocatalysts. The techniques for enhancing the compatibility of metals and nonmetals is discussed in order to boost photoactivity within visible light irradiation. In particular, further deliberation has been carried out on the development of heterojunctions, such as type I, type II, and type III, along with Z-systems, and S-scheme systems. It is important to thoroughly investigate these issues in the sense of visible light irradiations to enhance the efficacy of photocatalytic action. In fact, another advancement in this area may include hiring mediators including grapheme oxide and metals to establish indirect Z-scheme montages with a correct band adjustment. The potential consideration of reaction chemology, mass transfer, kinetics of reactions, restriction of light diffusion, and the process and selection of suitable light and photoreactor also will optimize sustainable hydrogen output efficiency and selectivity.