项目针对目前甲苯绿色化选择氧化制备苯甲醛、苯甲酸及苯甲酸苄酯热催化存在的单一目标产物选择性低和光催化存在的反应物转化率低的问题，利用ATiO3(A=Ba, Sr, Cd, Ni)钙钛矿结构及元素掺杂ATiO3(掺杂元素=Bi, Co, Mn, La)类钙钛矿结构材料既能提供热催化甲苯选择氧化的活性氧位，又具有光生电子-空穴的光催化氧化性能，在光热协同催化作用下，有望实现有优势的甲苯转化率和单一目标产物100%选择性。可控合成ATiO3及元素掺杂ATiO3催化剂，考察热、光和光热协同条件下甲苯的选择氧化过程，表征催化剂的表面特性和光学特性，分析产物分布和产率情况，结合甲苯选择氧化活化能和动力学过程的计算，揭示甲苯选择氧化热催化和光热催化的活性位，提出催化剂上甲苯选择氧化的光热协同反应机理。研究为绿色化选择氧化提供光热协同催化的新思路。

Solvent-free selective oxidation of toluene to produce benzaldehyde, benzoic acid or benzyl benzoate using O2 as oxidant is an environmental friendly process. The problem of thermal catalysis of green selective oxidation of toluene is the lower selectivity, and the problem of photo catalysis of green selective oxidation of toluene is the lower activity. This proposal aimed to resolve the problem existed in thermal catalysis and photo catalysis of green selective oxidation of toluene. There is enough active oxygen species generated on ATiO3 (A=Ba, Sr, Cd, Ni) and element doping ATiO3 (doping element=Bi, Co, Mn, La) catalysts, and the series of ATiO3 catalysts could show photocatalytic activity. If ATiO3 catalysts have both the photocatalytic and thermalcatalytic effect on selective oxidation of toluene, it is hoped to show a significant activity and hundred percent selectivity of the only one product. The ATiO3 and element doping ATiO3 catalysts with nanostructure will be synthesized. The catalytic progress of selective oxidation of toluene over ATiO3 and element doping ATiO3 catalysts will be investigated. The surface properties and optical properties of the catalysts will be characterized and analyzed. We will calculate the yield of products, energy barrier, activation energy and reaction rate. The catalytic site in thermal and photothermal catalytic oxidation of toluene should be identified. And the reaction mechanism of selective oxidation of toluene over the series of ATiO3 catalysts will be proposed. This work provides a photothermalcatalytic route of selective oxidation to obtain a good catalytic performance.