Solar-light photocatalytic water-splitting for hydrogen generation is an ideal way to generate clean energy. Because most photocatalysts can only work under ultraviolet (UV) and short-wavelength visible (Vis) lights irradiation, preparation of photocatalysts that can absorb long-wavelength Vis and near-infrared (NIR) lights are of vital importance. Elements doping and morphologies tuning were used to improve the photocatalytic hydrogen generation of some typical semiconductors, taking g-C3N4, La2Ti2O7 and ZnIn2S4 as examples. Photo-sensitizers including black phosphorous (BP) nanosheets and quantum dots, Au nanoparticles and nanorods, and oxygen-deficient WO3 were composed with photocatalytic semiconductors to obtain binary or ternary photocatalysts. A serial of photocatalysts such as WO3-x/CdS, Au-La2Ti¬2O7, BP-Au-CdS and BP-CdS-La2Ti2O7 that can work efficiently under UV-Vis-NIR light for hydrogen generation have been prepared. First-principles calculation and experimental characterization have been jointly employed to investigate the interface structure, clarify the photo-generated electron and holes transfer procedure, and confirm the key influence factors to the photocatalytic activity.