金属-(8-羟基喹啉-5-XX)n/TiO2界面相互作用提升光催化性能的研究

光催化体系中的多相界面问题是物理化学研究领域的热点方向和核心问题之一。TiO2虽已被证明是综合性能最佳的光催化材料，但为克服其本征缺陷，提高二氧化钛对太阳光的利用率和光量子分离效率，依然是光催化领域的关键科学问题。我们的前期研究证明，将金属-(8-羟基喹啉-5-XX)n配合物引入TiO2光催化体系, 配合物卓越的电子传输性能和可见光吸收特性，可有效提高TiO2的可见光催化效能。本课题拟对提升光催化性能的关键因素-界面相互作用进行深入探讨。通过研究配合物的能带结构、空间结构、官能团特性，TiO2的表面晶体结构、表面缺陷、带隙能量等对配合物/TiO2界面电子注入效率和传输、分离效率的影响规律，结合理论计算及各种表征，揭示多相界面间相互作用的物理化学本质及提升二氧化钛光催化性能的机理。本项目不仅为提升二氧化钛的光催化性能提出了新思路，而且对多相光催化过程中物理化学的理论研究提供了重要补充。

Multi phase interface in photocatalytic system is one of the hot topics and central issues in physical-chemistry research field. TiO2 has been proved as best photocatalytic materials with comprehensive properties, but there are still intrinsic defects. Increasing sunlight availability and photo-induced charge separation efficiency are still key scientific problems in order to overcome these defects. Our research have indicated that metal-(8-hydroxyquinoline-5-XX)n complexes can enhance the visible light photocatalytic property of TiO2 due to its excellent electron transport and visible light adsorption. In this project, an intensity study about interaction between multi phase interfaces, which is a pivotal factor for promoting photocatalytic efficiency, will be carried out. The influence of energy structure, space structure and functional group of complexes，surface crystal structure, surface defect and band energy of TiO2 on the electron injection, transport and separation efficiency between multi phase interfaces will be investigated. The mechanism of enhancing photocatalytic performance of TiO2 and the physical and chemical essence of interface interaction will be revealed combining our theoretical calculations. It is expected to provide a new idea for improving photocatalytic activity of TiO2 and a significant supplement for theoretical research to multi phase photocatalytic process.