鉴于NOx排放标准日趋严格和柴油车排放NOx低温催化控制技术存在的问题，本项目拟通过多功能催化剂的设计，在氢气选择性催化还原NOx(H2-SCR)的同时，使NO离解生成的N与H2离解产生的H结合生成NH3或NH4+，实现氢气协同原位产生的NH3高效还原NOx的新技术路线。H2-SCR和NH3-SCR协同还原NOx，不但提高N2和氢气的选择性，而且拓宽活性温度窗口。通过对催化剂的综合性能评价和结构表征，揭示催化剂各组份的相互作用及其与H2-SCR和NH3-SCR的内在联系；并结合原位红外(FT-IR)研究、稳态同位素瞬变动力学分析和基于密度泛函理论(DFT)的分子模拟，阐明多功能催化剂上H2-SCR和NH3-SCR协同进行的反应机理，为氢气协同H2-SCR反应中原位产生的氨还原NOx的新技术路线提供科学依据。本项目对实现柴油车排放NOx的污染控制，具有重要的科学价值与社会意义。

The emission regulation of NOx has become more and more stringent and there are some problems to be solved for the catalytic reduction of NOx emitted from diesel engine at low temperatures. In this project, multi-functional catalyst will be designed, on which the formed N atoms by the dissociation of NO will combine with the H atoms by the dissociation of hydrogen to form ammonia. The in-situ formed ammonia will reduce NOx together with hydrogen. The cooperation of selective catalytic reduction of NOx by hydrogen (H2-SCR) and ammonia (NH3-SCR) can result in the improved selectivity to N2 and H2 as well as the wide activity temperature window. Based on the catalytic performance evaluation and the structure characterization, the interaction among the different metals in the multi-functional catalyst and the roles of the active sites for the H2-SCR and NH3-SCR of NOx will be elucidated. In-situ Fourier Transform Infrared spectroscopy (FT-IR) study coupled with the steady-state isotopic transient kinetic analysis and density functional theory (DFT) calculations will be used to investigate the reaction mechanisms of H2-SCR and NH3-SCR of NOx, providing the fundamental understanding for this novel technique route. This project will promote the research in the catalytic removal of NOx emitted from diesel engine with important academic and social significance.