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-C3n4 with Built-In Electric Field

作者：Wang, Hui[1] Ji, Haodong[2,3,4] Zhang, Dandan[3,5] Yang, Xudong[3,4] Chen, Hanchun[2] Sun, Weiliang[3] Liu, Wen[3,4]

第一作者：王辉

机构：[1] Research Institute of Forestry, Chinese Academy of Forestry, Beijing, 100091, China; [2] Eco-environment and Resource Efficiency Research Laboratory, School of Environment and Energy, Peking University Shenzhen Graduate School, Shenzhen, 518055, China; [3] The Key Laboratory of Water and Sediment Sciences, Ministry of Education, College of Environmental Sciences and Engineering, Peking University, Beijing, 100871, China; [4] State Environmental Protection Key Laboratory of All Material Fluxes in River Ecosystems, Peking University, Beijing, 100871, China; [5] Department of Energy, Environmental, and Chemical Engineering, Washington University, St. Louis, MO, 63130, United States

年份：2023

外文期刊名：SSRN

收录：EI(收录号：20230375942)

语种：英文

外文关键词：Antibiotics - Carbon nitride - Computation theory - Degradation - Density functional theory - Detoxification - Electric fields - Heterojunctions - Photocatalytic activity - Rate constants - Sodium - Sodium compounds - Solar light - Water treatment

摘要：Simultaneous degradation and detoxification in the pharmaceuticals and personal care products (PPCPs) removal process is significant for water treatment. In this study, a type I heterojunction, sodium niobate nanocubes decorated graphitic carbon nitride (NbNC/g-C3N4), was fabricated to achieve efficient photocatalytic degradation and detoxification of ciprofloxacin (CIP) under simulated solar light. NaNbO3 nanocubes were in-situ transformed from Na2Nb2O6?H2O via thermal dehydration at the interface of g-C3N4. The hybridized NbNC/g-C3N4 showed a high conduction band (CB) level of -1.68 eV, leading to efficient transfer of photogenerated electron to O2 to produce primary reactive species, ?O2-. Density functional theory (DFT) calculation on density of state indicates C 2p and Nb 3d contribute to the CB, and 0.37 e– transfers from NaNbO3 to g-C3N4 in NbNC/g-C3N4 based on the Mulliken population analysis of built-in electric field intensity. NbNC/g-C3N4 offered 3.3- and 2.3-fold of CIP degradation rate constant (k1 = 0.173 min-1) compared with pristine g-C3N4 and NaNbO3, respectively. In addition, N24, N19 and C5 in CIP with high Fukui index are reactive sites for electrophilic attack by ?O2-, resulting in defluorination and ring-opening on piperazine moiety of the dominant degradation pathways. Intermediates/products identification integrated with computational toxicity evaluation further indicated the great detoxification effect during CIP degradation in the photocatalysis system. ? 2023, The Authors. All rights reserved.