项目针对CO2人工光催化转化的基础科学问题，基于以往在光催化剂表面活性位分子工程方面研究基础和前期研究发现，提出采用表面金属有机化学原理和方法在氧化物半导体表面构建局域光激发R-M-O-M'分子链DCA结构复合物高效转化CO2成甲烷等富氢碳燃料新思路。研究活性单元结构、性能、组成三者间的相互本质联系；研究表面DCA结构复合物光吸收和光激发动力学及其与产物分布、产物选择性之间的关系；研究CO2和H2O基质分子在活性单元上吸附、活化及中间物种的产生和演变过程，阐明基质分子在DCA结构单元上光催化转化的分子途径，建立局域光催化作用模型；探索通过DCA复合物组成、配体构象和结构的调变、金属等离子体位点增强等途径提高活性、活性稳定性和选择性的方法，研制出一至两种高效稳定的CO2转化光催化剂。该研究对丰富人工光合作用的基础理论认识以及指导新型高效CO2转化光催化剂的设计制备都具有重要的科学和实际意义。

The project aims at the general scientific issues of artificial photocatalytic conversion of CO2, and proposes a new ideal of efficient photocatalytic conversion of CO2 into solar hydrocarbon fuels including methane by use of a R-M-O-M′ molecular linkage with the donator-catalyst-acceptor triad structure, which is constructed on surface of oxide semiconductors by surface organometallic chemistry method, based on the previous research concerning surface molecular engineering of photoactive sites of photocatalysts and the preliminary finding. The inherent relationship among structure, performance, and composition of the DCA active complexes will be studied and established. The photoabsorption and photoexcitation dynamics of the DCA active complexes and the relationship between the photodynamic and the product distribution and selectivity will be studied in detail. The adsorption and activation of CO2 and H2O on the active nanocluster units and the generation and evolution processes of intermediate products will be systematically investigated. The molecular route of photocatalytic conversion of CO2 and H2O on the DCA units will be clarified. A physical model of the local excitated photocatalysis of heteroatomic nanoclusters will be established. Some route to improve activity,stabliity and selectivity, such as the modulation of composition, conformation, and structure of organic ligands coordinated to noble metal, the plasma field, will be explored, in order to successfully develop one and more type of highly efficient and stable photocatalysts of CO2 conversion. These researches are of great significance and importance for richening the fundamental knowledge of artificial photosynthesis and guiding the design and preparation of novel and efficient CO2 conversion photocatalysts.