Converting solar energy into storable chemical energy with photocatalysts represents a promising way of utilizing solar energy. Photocatalysis can realize the splitting of water to release hydrogen and reduction of CO2 to produce solar fuels or chemicals such as methane/methanol/CO. Construction of solar-driven photocatalysts is one central task in this area. The photocatalysis efficiency is synergistically determined by three basic steps, namely light absorption, charge separation and surface catalysis. Understanding and controlling each step as much as possible is highly necessary in order to rationally design and constructing efficient solar-driven photocatalysts. To address the challenges each step facing, we focus on band engineering & exploring new photocatalysts to increase visible light absorption, microstructure controlling to promote charge separation, and selective exposure of different facets to mediate surface catalysis. In this talk, the key progress in each part will be introduced. Specifically, regarding increasing the visible light absorption, the significance of controlling spatial distribution of electronic structure modifiers in realizing band-to-band redshift of the light absorption edge will be illustrated. Regarding the promotion of charge separation, the advantages of several core-shell engineered photocatalysts with favorable features in endowing spatial separation of photogenerated charge carriers will be highlighted. Regarding the surface catalysis, the exposed facets dependent unique properties of metal oxide photocatalysts will be introduced.