Li Yaru, Zhou Chen, Zhang Peng, Zhang Xin, Cao Zhiguo, Wang Yumeng, Li Fan, Hu Chun
School of Environment, Henan Normal University, Xinxiang, Henan Province 453007, China; Key Laboratory for Water Quality and Conservation of the Pearl River Delta, Ministry of Education, Institute of Environmental Research at Greater Bay, Guangzhou University, Guangzhou 510006, China; Key Laboratory of Yellow River and Huai River Water Environment and Pollution Control, Ministry of Education, Xinxiang, Henan Province 453007, China; International Joint Laboratory on Key Techniques in Water Treatment, Xinxiang, Henan Province 453007, China.
Key Laboratory for Water Quality and Conservation of the Pearl River Delta, Ministry of Education, Institute of Environmental Research at Greater Bay, Guangzhou University, Guangzhou 510006, China.
J Hazard Mater. 2025 Aug 15;494:138742. doi: 10.1016/j.jhazmat.2025.138742. Epub 2025 May 26.
Developing highly efficient photocatalysts for water treatment with simultaneous clean energy production is an ideal strategy to solve environmental pollution and energy crises. Herein, a photocatalyst (SA-Mn-CN) featuring Mn single atoms (SAs) on a graphitic carbon nitride (g-CN) was designed to simultaneously degrade the emerging contaminants and generate hydrogen peroxide (HO). Density functional theory (DFT) calculations and Kelvin probe force microscopy (KPFM) results demonstrated that the introduction of Mn SAs induced a pronounced charge polarization, resulting in the formation of a surface electric field (SEF) with an intensity of 557.2 mV. Driven by the SEF, the pollutant served as a molecular modulator that improved the catalyst's band structure. Upon photoexcitation, electrons were efficiently transferred from pollutant to Mn sites for in-situ HO production, compensating for the energy consumption issue in wastewater treatment. Under visible light irradiation, the system achieved complete removal of BPA and nearly 80 % mineralization within 60 min, while simultaneously producing HO via a one-step two-electron O reduction process. This work provides a new idea for the design of efficient photocatalysts for energy conversion coupled with wastewater recycling.
开发用于水处理并同时产生清洁能源的高效光催化剂是解决环境污染和能源危机的理想策略。在此，设计了一种在石墨相氮化碳（g-CN）上具有锰单原子（SAs）的光催化剂（SA-Mn-CN），用于同时降解新兴污染物并生成过氧化氢（HO）。密度泛函理论（DFT）计算和开尔文探针力显微镜（KPFM）结果表明，锰单原子的引入引起了明显的电荷极化，导致形成了强度为557.2 mV的表面电场（SEF）。在表面电场的驱动下，污染物作为分子调节剂改善了催化剂的能带结构。光激发后，电子从污染物有效地转移到锰位点以原位生成HO，弥补了废水处理中的能量消耗问题。在可见光照射下，该系统在60分钟内实现了双酚A的完全去除和近80%的矿化，同时通过一步双电子氧还原过程产生HO。这项工作为设计用于能量转换与废水循环利用相结合的高效光催化剂提供了新思路。
