基于新型环境功能材料的大气污染控制化学基础研究

氮氧化物（NOx）和挥发性有机物（VOCs）是造成区域性复合污染的重要前体物，通过环境功能材料对其进行吸附/催化治理是当前环境领域研究的热点。项目围绕NOx和VOCs控制化学中的基础科学问题，研究具有多级孔精细化结构的复合氧化物、分子筛催化剂等吸附/催化材料；研究开发实时动态分析新方法，构建材料孔结构、表面酸性、活性组分与载体的界面效应等与吸附/催化性能的理化关系；借助量子计算方法，探究活性位电子结构、电荷转移等对于多污染物选择性吸附/催化性能的影响，揭示高浓度复杂气氛下污染物的竞争吸附机制；探索NOx和VOCs的协同控制技术原理，研究水、硫等对于表面羟基、酸性中心的影响，阐明催化剂的中毒机制并提出抗中毒体系设计原则；建立新型环境功能材料多级孔道结构与表面化学形态对吸附/催化作用的基础性原理认识，突破新型环境功能材料的低温活性和复杂环境下的适应性，为大气复合污染治理提供关键科学理论支撑。

Nitrogen oxides (NOx) and volatile organic compounds (VOCs) are the major source for regional complex air pollution. Adsorption/catalysis via environmental functional materials are currently the hot topic and also a tough work in environmental science. This project focuses on the basic science scope in the control of NOx and VOCs, targeting to develop hierarchical porous fine-structured complex metal oxides, zeolites and metal organic frame materials as adsorbents/catalysts. By developing the state-of-art operando spectroscopy methods, this project intends to construct the structure-performance relationship between porous structure, surface acidity, interface effects of active sites and carriers and adsorption/catalysis performance. By utilizing quantum chemistry calculation methods, we will investigate the effects of electronic structure and electron transfer towards adsorption/catalysis of multi-pollutants, herein to disclose the competitive adsorption mechanism for multi-pollutants in high concentration and complex environment. This project will also include the synthetic control of NOx and VOCs and the research on its mechanism. By exploring the impacts of water and sulfur dioxide on surface hydroxide and acid centers, we will intend to illustrate the poisoning mechanism and propose a guidance for anti-poisoning catalysts designing. This project will establish the principle understanding toward the structure-performance relationship between porous structure, surface chemistry status and adsorption/catalysis performance, thus to break the barrier in designing novel environmental functional materials applies in low temperature and complex environment, and to provide pivotal theoretic support to air pollution control in China.