丙烷直接脱氢（PDH）技术因可通过非原油生产丙烯和氢气，已经成为丙烯制备行业的热点。但该反应条件苛刻（>500 ℃），且一般使用Cr2O3或Pt催化剂。基于无毒、非贵金属催化剂在温和条件下实现PDH反应依然极具挑战。本项目拟以光化学沉积法制备Cu1/TiO2单原子催化剂，采用光热协同催化策略，发展水气辅助PDH反应的新路线，实现温和条件下（<100 ℃）的PDH反应。以氘化水作为水气源，明确水气在反应中的作用；同时采用SSITKA、EPR、DRIFT等原位表征技术捕获反应活性中间体；结合HAADF-STEM、XAS和DFT计算，确认Cu1/TiO2单原子催化剂的活性位点。最终，在分子、原子水平上阐明Cu1/TiO2单原子催化剂光热协同催化水气辅助PDH反应机理。研究结果有望建立光热协同催化水气辅助PDH反应的新体系，为实现温和条件下的PDH反应提供实验和理论指导。

Propane dehydrogenation (PDH) technology has become a hot spot in the propylene production industry by which propylene and hydrogen can be produced from propane, rather than non-crude oil. However, the reaction conditions are harsh (>500 ℃), and Cr2O3 or Pt catalysts are commonly used. Realizing the PDH reaction under mild conditions based on non-toxic, non-precious metal catalysts is still extremely challenging. In this proposal, Cu1/TiO2 prepared by photochemical deposition is used as the catalyst. With the assistance of water steam, an innovative PDH reaction route would be developed, which is expected to activate PDH reaction at low temperatures (<100 ℃) through photo-thermo catalysis. In order to unravel the underlying mechanism, deuterium oxide will be used as the source of the water steam to identify the role of the water in the reaction. Moreover, in situ characterization techniques such as SSITKA, EPR, DRIFT will be used to capture the reaction intermediates. Combined with HAADF-STEM, XAS as well as DFT calculations, the active site of the Cu1/TiO2 single-atom catalyst will be determined. The above results are expected to establish a new system for water steam assisted PDH reaction, and provide experimental and theoretical guidance to drive PDH reaction under mild conditions.