药品和个人护理品(PPCPs)作为一类新兴有机污染物，对生态系统和环境安全有着深远且不可恢复的影响，其去除与降解是现在和未来水污染控制的重点和难点。光催化技术被认为是控制废水中此类污染物最具发展前景的手段之一，该技术的关键在于光催化剂的选择及光催化效率的提高。本项目基于采用第一性原理（Frist Principles），从能带结构，晶型变化及电子传递规律等方面多角度构建石墨烯-碳化氮-钒酸铋这一新型三元复合材料，使其同时具备吸附-光催化降解PPCPs同步脱氮三重特性。选择泰利霉素作为目标污染物，解析吸附-光催化降解同步脱氮体系的电子分配规律，探讨吸附-光催化降解同步脱氮过程的协同作用机制，为深度处理PPCPs废水提供高效、低碳的新方法。本项目对于扩展石墨烯基半导体材料在环境保护领域的应用及解决我国水污染问题有着十分重要的意义。

As an emerging organic pollutant, pharmaceuticals and personal care products (PPCPs) are known to have deep and irrecoverable destruction to the security of nature environment and ecosystem. It`s important and challenging to seek solutions to remove and degrade PPCPs in water treatment for today and in the future. Based on First-Principles, a novel ternary composite will be synthesized to combine the ability of adsorption, photocatalytic oxidation and denitrification together which is optimized from the band structure, crystal structure and principles of electron transport in this project. Telithromycinwill will be the target pollutant to investigate the assignment mechanism of electrons and the coupling mechanism of the system. This project will expand environmental applications of graphene-semiconductor composites and provide a ‘green’ technology for advanced treatment of PPCPs-bearing wastewater, which would be significantly meaningful to the resolution of increasing water pollution in our country.