Photocatalytical hydrogen evolution by water splitting with semiconductor photocatalysts is one of the important strategies meet sustainable energy demands. However, the serious recombination of photogenerated charges and weak light absorption are the two factors that limit the application of photocatalytical hydrogen evolution by water splitting. Point defect engineering, as a typical photocatalyst modification strategy, has been verified to be an effective way to improve the catalytic activity of semiconductor photocatalysts. Even though, it remains challenging to achieve the rational design and accurate regulation of point defects. Herein, TiO2 is taken as a model photocatalyst. The introduction of oxygen vacancies is achieved by aluminothermic reduction and the distribution of oxygen vacancies is also accurately controlled. Furthermore, the synergistic effect upon combination with the strain effect and doping strategy is accomplished for tradeoff between thermodynamics and kinetics during the photocatalytic system of TiO2 monocomponet to enhance the photocatalytic hydrogen evolution. In this work, the construction strategies of three types of point defect are investigated and summarized. The coupling mechanism of multicomponent defect to promote the photocatalytic hydrogen evolution by water splitting is elucidated, and the structurefunction relationship between defect structure and catalytic activity is further established. This work also provides theoretical and experimental guidance for the reasonable and controllable design of point defects in other semiconductor photocatalysts.