研究新型可见光下催化转化CO2的材料，对于解决当前能源危机和气候变暖问题具有重要的科学意义和实用价值。近年来, 金属有机框架（MOFs）材料作为一种新型的光催化CO2材料，正备受关注。然而，离子热法合成具有光催化CO2活性的路易斯酸MOFs至今还未被报道过。本项目拟以实验为主，结合密度泛函理论（DFT）计算，研究离子热法合成的MOFs在光催化转化CO2的几个关键问题。 设计合成一系列配体以及在离子液体溶剂下合成可见光响应的路易斯酸MOFs，发展一种新型合成策略； 研究其吸附富集CO2以及光催化CO2还原的性能，并结合DFT计算，揭露MOFs的光催化机制，尤其是吸附富集与反应耦合机制，建立构效关系。 本项目研究，一方面为制备光催化材料提供一种新的思路；另一方面为MOFs光催化性能构效关系研究提供一定理论基础，具有较为重要的科学意义.

To solve the current energy crisis and climate warming, an exploration of new photocatalysts of CO2 reduction under visible -light has important scientific significance and practical value. Recently, as new photocatalysts of CO2 conversion, metal-organic frameworks ( MOFs ) have been attracting enormous attentions. However, the photocatalytically active MOFs (PCA-MOF) with lewis acidy sites prepared by ionothermal method were not reported. By using of experimental studies, together with density functional theory (DFT) calculation, this project will focus on several pivotal questions of CO2 conversion on ionothermally synthesized MOFs. Firstly, we will prepare a series of ligands and prepare these visible-light responding lewis-acidy MOFs under ion liquid medium for a new synthetical strategy of PCA-MOFs. Secondly, will investigate CO2 adsorbing enrichment property photocatalytic converting CO2 properties of MOFs, and combine with DFT calculation to uncover photocatalytic mechanism, especially for the coupling mechanism of adsorptive enrichment and reaction, and generate structure-function relations. This project will unveil a new synthetic approach of PCA-MOFs as well as provide theoretical helps for MOFs in the photocatalytic field, and further generate relatively important scientific significance.