Sustainable energy generation depends on the development of reliable and effective photocatalysts for the water splitting process, which produces hydrogen. The study of hydrogen becomes necessary due to its clean and sustainable energy source. The hydrogen production rate may be enhanced by new photocatalysts. This chapter focuses on concept of H2 generation by using metallic catalysts, photocatalyst based on metal oxide and sulfide, and the major influencing variables to increase photocatalytic performance, such as surface modification, bandgap engineering, and cocatalyst deposition. Additionally, current developments in novel photocatalytic metal–organic and covalent organic frameworks are discussed. The problems and prospects for the development of photocatalysts in order to produce hydrogen effectively are also covered in this chapter. Overall, this chapter gives important insights into recent developments in hydrogen generation photocatalysts and suggests future options for this quickly developing field of study.