等效结构单元MOF/Cu2O阵列光催化剂的构筑及CO2催化转化研究

人工模拟光合作用是光催化转化研究中一类重要的反应，开发高催化转化活性光催化剂对环境净化和清洁能源开发具有重要意义。本项目拟将MOF活性膜与具有高激子转化的Cu2O周期性有序阵列复合，构筑具有等效结构单元的MOF/Cu2O阵列光催化剂。利用MOF活性膜协同阵列结构的陷光效应来提升催化剂的光吸收和反应底物富集与活化能力，并以阵列易修饰表界面，优化载流子迁移和表面氧化还原能力，提高光催化活性。以二氧化碳光催化转化过程中所涉及的中间产物类型、终态产物组分和产物产量等指标考察MOF结构、阵列周期性、厚度、表面负载量对二氧化碳催化转化效果的影响；明确光催化剂与催化转化活性之间的构效关系。基于等效结构单元建立理论模型，并通过计算模拟探讨并解析催化剂模型中各组分间的协同作用及内在规律，明确催化机理反馈优化催化剂构筑。本项目的实施将为进一步优化催化剂结构，获得高效光催化转化催化剂的构筑提供理论和实验支持。

Artificial photosynthesis is one of the most important reactions in photocatalytic conversion. The exploitation of highly active photocatalyst is of great significance for environmental purification and clean energy generation. We intend to compound MOF active membrane with high exciton transformation Cu2O periodic-ordered nanoarray to construct an CO2RR MOF/Cu2O photocatalyst which with equivalent-cell structural. Collaborating the MOF active membrane and the phototrapping effect of nanoarrays to improve the photoabsorption and， CO2 enrichment and activation abilities, and the easy-modification surface to further optimize the charge-carriers separation and surface REDOX of the photocatalyst for the improvement of photocatalytic activity. Through the monitor of intermediates, final components and yielding, exploring the influence of the structure of MOF, periodic of array, height of cell, surface loading of photocatalyst to the activity and selectivity of carbon dioxide photocatalytic conversion. Explicating the structure-activity relationship of MOF/Cu2O photocatalyst. Using the equivalent-cell to establish the theoretical model. By the means of calculation and simulation to explore and analyze the synergistic effect and internal mechanism of the photocatalyst. And thus, clarify the mechanism of photocatalysis. This project is expected to further optimize the structure of CO2RR photocatalyst, and provide theoretical, experimental and technical support for the development of high active photocatalytst.