氨气选择性催化还原（NH3-SCR）技术是目前最有效的针对燃煤烟气的脱硝手段，目前V2O5/TiO2催化剂体系虽具有良好的脱硝效率，但是烟气中大量的碱金属和砷等严重影响其的活性和使用寿命，导致催化剂失活。我国大部分燃煤电站都已经安装了脱硝系统，预计从2016年开始将出现大量废旧催化剂，因此研究催化剂的中毒机理，指导设计抗中毒催化剂具有重要的现实意义。本项目拟分别从实验和理论计算角度，以NH3为探针分子，研究脱硝催化剂的碱金属/碱土金属和砷中毒活性位的变化，确认中毒失活的主控因素；通过与原位表征技术相结合，从原子、分子水平上对催化剂的微观中毒机制给予明确阐述；从提高氧化还原性和表面酸性以及增大比表面积的角度，对催化剂的活性组分、助剂和载体进行改性，优化新型抗中毒催化剂的配方，为开发适合我国燃煤烟气特征的良好抗中毒性能的脱硝催化剂提供理论支持。

Selective catalytic reduction (SCR) of NO with NH3 is one of the most effective method to control the emission of NO from stationary sources. Commercial catalysts, V2O5/TiO2, though exhibit good SCR performance, alkali, alkali earth and arsenic metal oxides could significantly suppress their activity and lessen their working lifetime, leading to the deactivation and poisoning phenomenon. Most of power plants in China have already used SCR system, after 2018, it seems that lots of waste and poisoned SCR catalyst occurs and needs to be managed. It is important to investigate the poisoning mechanisms and develop new poisoning resistant catalysts. The project plans to study the deactivation of alkali, alkali earth and arsenic on SCR catalysts by both experimental and density functional theory (DFT) calculation results choosing NH3 as probe molecule, confirming the main factor to influence catalyst activity. By combination with in situ IR and Raman spectra methods, we want to elucidate micro poisoning mechanisms from a level of atomic and molecular view. Further, we modify the active component, additives and support of SCR catalysts to improve the reducibility, surface acidity and BET surface area for developing new poisoning resistant catalysts adapting China flue gas.