可见光光解水制氢被认为是当前解决能源危机和环境污染问题最有效的途径之一，而实现这一过程的关键在于设计开发高效稳定的光催化剂。针对传统光催化材料普遍存在结晶性差、结构难调控等瓶颈问题，本项目创新性提出设计合成系列新型电子供体和电子受体结构单元，通过复合不同无机半导体材料来可控构筑D-A型共价有机框架复合材料并深入研究其在光解水制氢领域的应用。COFs材料具有高度结晶性和结构可修饰性，而D-A结构则易调控材料可见光吸收范围、载流子迁移率以及能量带隙等光催化性能参数，通过合理地整合其各自的优点与一体来构筑新型D-A型晶态COFs复合材料，有望实现材料的高效光催化活性。同时，本项目将借助实验与理论模拟计算相结合的方式深入理解材料结构-性能之间的构效关系，建立其可能的光催化反应机理，为促进COFs及其复合材料在光催化领域的功能化应用提供科学理论和方法基础。

Achieving hydrogen evolution through photocatalytic water splitting under visible-light irradiation has been regarded as one of the most efficient routes to solve the current energy crisis and environmental pollution, while the design and development of efficient and stable photocatalysts is essential to implement this process. To address the bottleneck problems of traditional photocatalysts, including poor crystallinity and structural tunability difficulties, this project proposes to synthesize a set of novel D-A type COF composites by means of controllable design and preparation of different types of electron-donor and electron-acceptor building blocks and incorporation of inorganic semiconductors into the frameworks and systematically study their photocatalytic hydrogen evolution properties. Generally, COFs process high crystallinity and structural tunability, while the D-A type structures are readily to achieve the tunability of their light absorption range, charge transport and separation and band gaps. Thus, it is expected to achieve highly efficient photocatalytic properties by reasonable integration of their respective advantages of COFs and D-A type structures. Meanwhile, this project will try to further understand the relationships and general rules among synthesis, structure and properties by the combination of experiments and theoretical simulations, and propose the possible mechanism of the photocatalytic reaction.To some extent, this proposal will provide scientific theory and method basis for the functional applications of COFs and their composites.