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Revealing the synergistic effect between radical and non-radical species of sulfur-doped carbon nitride for ciprofloxacin removal: Based on density functional theory study

文献类型： 外文期刊

作者： Zeng, Hao 1 ; Zhou, Zhanpeng 1 ; Li, Wenbo 1 ; Li, Ling 1 ; Tang, Rongdi 1 ; Xiong, Sheng 1 ; Gong, Daoxin 1 ; Huang, Ying 2 ; Bai, Lianyang 5 ; Deng, Yaocheng 1 ;

作者机构： 1.Hunan Agr Univ, Coll Environm & Ecol, Changsha 410128, Peoples R China

2.Hunan Agr Univ, Coll Resources, Changsha 410128, Peoples R China

3.Hunan Univ, Coll Environm Sci & Engn, Changsha 410082, Peoples R China

4.Hunan Univ, Key Lab Environm Biol & Pollut Control, Minist Educ, Changsha 410082, Peoples R China

5.Hunan Acad Agr Sci, Changsha 410125, Peoples R China

关键词： Photocatalytic; Ciprofloxacin; Cooperative degradation; Singlet oxygen; Density functional theory

期刊名称：SCIENCE OF THE TOTAL ENVIRONMENT （ 影响因子：9.8； 五年影响因子：9.6 ）

ISSN： 0048-9697

年卷期： 2024 年 915 卷

页码：

收录情况： SCI

摘要： The distinct characteristics of active species produced during the photocatalytic reaction can result in alterations in the degradation routes of organic pollutants with diverse chemical structures. The relationship between the active species and degradation pathways of organic pollutants lacks a direct experimental or characterization method, so in-depth research is still needed to understand the details of their interactions. In this study, sulfurdoped bulk carbon nitride (SBCN) was prepared based on bulk carbon nitride (BCN), and the process of S-doping enhancing the production of O-1(2) was revealed. Through the degradation experiment, the degradation rate of CIP by SBCN reached 91 %, which was higher than that of BCN (66 %). The increase of degradation rate was mainly attributed to the increase of O-1(2). Through the density functional theory (DFT) calculation of CIP and its degradation intermediate, due to the preferential oxidation of CIP by O-1(2), O-1(2) changes the initial degradation direction of CIP, releasing more attack sites for O-2 (center dot-), thereby achieving more efficient degradation of CIP through the synergy of O-1(2) and O-2 (center dot-) . In this study, the attack preferences of the active species and their synergistic pro- motion provide important insights for the efficient photocatalytic degradation of organic pollutants.

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