氮氧化物（NOx)作为大气中的主要致霾污染物之一，其污染控制已刻不容缓。氨选择性催化还原NOx（NH3-SCR）是目前控制NOx的有效手段，但其存在的主要问题是燃煤烟气中的H2O、SO2、碱金属和碱土金属易导致脱硝催化剂中毒失活。针对这一问题，本项目拟构筑固体酸基脱硝催化剂，通过固体酸表面强酸性和负载金属氧化-还原性间的协同效应，提高催化剂在NH3-SCR反应中的活性和抗中毒性能。结合催化剂结构的分析表征、原位漫反射红外光谱（DRIFTS）和基于密度泛函理论（DFT）的分子模拟研究，从原子-分子水平上明确固体酸基脱硝催化剂的活性中心结构，揭示其结构与活性、抗中毒性能间的构效关系，阐明脱硝反应机理，从而为设计和发展高活性和抗中毒性能的脱硝催化体系提供科学指导。本课题的实施将推进解决我国致霾废气NOx的污染控制，具有重要的学术价值和社会意义。

As one of the major air pollutants, nitrogen oxides (NOx) can promote the formation of haze. Therefore, the control of NOx is desirable. Selective catalytic reduction of NOx with NH3(NH3-SCR) is one of the most efficient technologies for the removal of NOx in the flue gas. However, deNOx catalyst is prone to be poisoned by the presence of H2O,SO2,alkali and alkaline earth metals in the flue gas, leading to the activity lost. In this project, solid acid based deNOx catalyst will be designed. The synergetic effect between the strong acidity of the solid acid and the redox property of the supported metal would lead to the improved catalytic performance and high resistance against the poisonous substances. Different catalyst characterization methods, in-situ diffuse reflectance infrared Fourier transform spectra(DRIFTS) and density functional theory(DFT) calculations will be used to reveal the active sites of the solid acid based catalyst and the relationship between the structure and the catalytic performance on the atomic and molecular levels. The reaction mechanism of NH3-SCR of NOx will be proposed. The results would shed light on designing novel deNOx catalyst with high activity and resistance against the poisonous substances. This project will promote the control of NOx with important academic and social significance.