Over the past few decades, mesoporous materials with pore sizes in the range of 2 to 50 nm have garnered widespread attention due to their high surface area and efficient transport capabilities. So far, the preparation of mesoporous materials has evolved through numerous methods. In these methods, the phase structure of block copolymers is often employed to construct mesoporous materials. Block copolymers can form mesopores morphology after undergoing appropriate etching processes, and they can also be used in combination with other functional components as templates or directing agents. The chemical properties of the pore walls, i.e., inner surface, play a crucial role in determining the final performance and functionality of mesoporous materials. Currently, there are two commonly used methods to modify or functionalize pore-wall surface. For one thing, post-modification is a straight forward approach to functionalize pore walls. In this case, functional groups will be introduced onto the pre-designed framework after the preparation of porous materials. For another thing, inherent functional groups on the pore walls can be introduced during the pore formation process.