文献类型：期刊文献

英文题名：Solar-light-driven photocatalytic degradation and detoxification of ciprofloxacin using sodium niobate nanocubes decorated g-C3 N4 with built-in electric field

作者：Wang, Hui[1] Ji, Haodong[2,3,4] Zhang, Dandan[3,4,5] Yang, Xudong[3,4] Chen, Hanchun[2] Jiang, Chunqian[6] Sun, Weiliang[3,4] Duan, Jun[3,4] Liu, Wen[3,4,7,8]

第一作者：王辉

通信作者：Ji, HD[1];Ji, HD[2];Liu, W[2];Ji, HD[3];Liu, W[3];Jiang, CQ[4];Liu, W[5];Liu, W[6]

机构：[1]Chinese Acad Forestry, Res Inst Forestry, Key Lab Tree Breeding & Cultivat Natl Forestry & G, Beijing 10091, Peoples R China;[2]Peking Univ, Sch Environm & Energy, Shenzhen Grad Sch, Ecoenvironm & Resource Efficiency Res Lab, Shenzhen 518055, Peoples R China;[3]Minist Educ, Key Lab Water & Sediment Sci, Beijing 100871, Peoples R China;[4]Peking Univ, Coll Environm Sci & Engn, Beijing 100871, Peoples R China;[5]Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA;[6]Chinese Acad Forestry, Res Inst Forestry, Beijing 100091, Peoples R China;[7]Wuhan Text Univ, Engn Res Ctr Clean Prod Text Dyeing & Printing, Sch Environm Engn, Minist Educ, Wuhan 430073, Peoples R China;[8]Peking Univ, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China

年份：2025

卷号：36

期号：5

外文期刊名：CHINESE CHEMICAL LETTERS

收录：;Scopus(收录号：2-s2.0-86000312367);WOS:【SCI-EXPANDED(收录号:WOS:001444071500001)】；

基金：Financial supports from the National Key Research and Development Program of China (Nos. 2021YFA1202500 and 2022YFF1303004) , Shenzhen Science and Technology Program (No. JCYJ20220531093205013) , the National Natural Science Foundation of China (NSFC) (Nos. 52100069 , 52270053 and 52200084) , the Beijing Natural Science Foundation (No. 8232035) , the Beijing Nova Program (No. 20220484215) , the Beijing National Laboratory for Molecular Sciences (No. BNLMS2023011) and Emerging Engineering Interdisciplinary-Young Scholars Project (Peking University) , the Fundamental Research Funds for the Central Universities are greatly acknowledged. DFT calculations supported by the High-Performance Computing Platform of Peking University and the National Key Scientific and Technological Infrastructure project "Earth System Numerical Simulation Facility" (EarthLab) are also acknowledged. The work is also supported by the program of "Research on Advanced Treatment Technology of New Pollutants in Domestic Sewage of Residential District".

语种：英文

外文关键词：Detoxification; Photocatalysis; Solar light; Ciprofloxacin; Reactive sites

摘要：Simultaneous degradation and detoxification during pharmaceutical and personal care product removal are important for water treatment. In this study, sodium niobate nanocubes decorated with graphitic carbon nitride (NbNC/g-C3 N4 ) were fabricated to achieve the efficient photocatalytic degradation and detoxification of ciprofloxacin (CIP) under simulated solar light. NaNbO3 nanocubes were in-situ transformed from Na2 Nb2 O6 H2 O via thermal dehydration at the interface of g-C3 N4 . The optimized NbNC/g-C3 N4 -1 was a type-I heterojunction, which showed a high conduction band (CB) level of -1.68 eV, leading to the efficient transfer of photogenerated electrons to O2 to produce primary reactive species, center dot O2 -. Density functional theory (DFT) calculations of the density of states indicated that C 2p and Nb 3d contributed to the CB, and 0.37 e- transferred from NaNbO3 to g-C3 N4 in NbNC/g-C3 N4 based on the Mulliken population analysis of the built-in electric field intensity. NbNC/g-C3 N4 -1 had 3.3- and 2.3-fold of CIP degradation rate constants ( k1 = 0.173 min-1 ) compared with those of pristine g-C3 N4 and NaNbO3 , respectively. In addition, N24, N19, and C5 in CIP with a high Fukui index were reactive sites for electrophilic attack by center dot O2 -, resulting in the defluorination and ring-opening of the piperazine moiety of the dominant degradation pathways. Intermediate/product identification, integrated with computational toxicity evaluation, further indicated a substantial detoxification effect during CIP degradation in the photocatalysis system. (c) 2025 Published by Elsevier B.V. on behalf of Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences.