CuFe2O4/CuO magnetic nano-composite activates PMS to remove ciprofloxacin: Ecotoxicity and DFT calculation

He, Bo; Song, Lixian; Zhao, Zixuan; Liu, Weibao; Zhou, Yingtang; Shang, Jiangwei; Cheng, Xiuwen

doi:10.1016/j.cej.2022.137183

Cited by 87 publications

(21 citation statements)

References 65 publications

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“…In order to evaluate the CC‐ x system and to demonstrate the contribution of different radicals to the reaction, classical quenching experiments and EPR tests were performed. [ 32 ] The results showed that excess tert‐butanol (TBA) and benzoquinone (BQ) led to a decrease in the reaction rate constant ( k obs ) for TH degradation (Figure S12, Supporting Information). The EPR test results indicated that · OH and · O 2 − together promoted the degradation of MB and TH (Note S2 and Figure S13, Supporting Information).…”

Section: Resultsmentioning

confidence: 99%

Customized Microenvironments Spontaneously Facilitate Coupled Engineering of Real‐Life Large‐Scale Clean Water Capture and Pollution Remediation

et al. 2023

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Harnessing abundant renewable resources and pollutants on a large scale to address environmental challenges while providing sustainable freshwater is a significant endeavor. In this study, we present the design of fully functional solar vaporization devices (SVD) based on organic‐inorganic hybrid nanocomposites (CCMs‐x). These devices exhibit efficient photothermal properties that facilitate multi‐targeted interfacial reactions, enabling simultaneous catalysis of sewage and desalination. The localized interfacial heating generated by the photothermal effect of CCMs‐x triggers surface‐dominated catalysis and steam generation. The CCMs‐x SVD achieves a solar water‐vapor generation rate of 1.41 kg m−2 h−1 (90.8%), and it achieves over 95% removal of pollutants within 60 min under one‐sun for practical application. The exceptional photothermal conversion rate of wastewater for environmental remediation and water capture is attributed to customized microenvironments within the system. The integrated parallel reaction system in SVD ensures it a real‐life application in multiple scenarios such as municipal, medical wastewater and brine containing high concentrations. Additionally, the SVD exhibits long‐term durability, antifouling functionality toward complex ionic contaminants. This study not only demonstrates a One‐Stone‐Two‐Birds strategy for large scale directly producing the potable water from polluted seawater, but also open up to exciting possibilities of parallel production of energy and water resources.This article is protected by copyright. All rights reserved

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Section: Resultsmentioning

confidence: 99%

Customized Microenvironments Spontaneously Facilitate Coupled Engineering of Real‐Life Large‐Scale Clean Water Capture and Pollution Remediation

et al. 2023

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“…These values follow the previous reports. 44,45 Subsequently, the electronic properties of the pristine C 3 N 6 monolayer are further investigated. The calculated band structure and partial density of states (PDOS) using GGA-PBE and hybrid HSE06 general functional calculations are shown in Fig.…”

Section: Calculation Methodsmentioning

confidence: 99%

Efficient degradation of formaldehyde based on DFT-screened metal-doped C₃N₆ monolayer photocatalysts: performance evaluation and mechanistic insights

Chen,

Wang,

Wang

et al. 2023

Phys. Chem. Chem. Phys.

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“…The synergistic effects of bimetallic composites, such as potential-determined redox cycles ,,, and heterojunctions, , can facilitate the electron transfer process of PMS. In addition to the Co site, different metal sites have also exhibited good PMS activation performance, and some metal oxides carry more OVs.…”

Section: Theoretical Calculation Of Pms-aops Involving Cobalt-based H...mentioning

confidence: 99%

Current Mechanism of Peroxymonosulfate Activation by Cobalt-Based Heterogeneous Catalysts in Degrading Organic Compounds

et al. 2023

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Persulfate based advanced oxidation processes (PS-AOPs) have been regarded as a mainstream degradation technology of organic compounds due to their high efficiency in wastewater treatment. In particular, peroxymonosulfate (PMS) has a unique structure and chemical properties, which can be efficiently activated by Co-based catalysts to produce active species with a high oxidation potential. These active species usually determine the subsequent degradation of organic compounds in an efficient process, while the intrinsic reaction mechanism behind this complex process remains unclear and therefore impedes the continual development in this scientific community. Recently, density functional theory (DFT) calculations have emerged as a powerful means to identify the electronic properties and distinguish energy changes in the PMS activation system. With the assistance of this quantum calculation, increasing investigations have been conducted focusing on explaining the phenomenon that occurred in experiments. However, these calculations mainly contributed in part to the reaction mechanism of PMS activation by Co-based catalysts and sometimes even differ from each other, lacking a comprehensive summary based on DFT calculation results. In this review, we introduce the main uses of DFT in the catalytic activation of PMS, provide recent application of calculation examples of Co-based heterogeneous catalysts with different structures, and then discuss the mechanism of PMS activation in detail. Finally, the research results of the DFT method in this field are summarized, and the future research focus and challenges are put forward, which is conducive to guiding the practical design of Co-based catalysts and further application of PS-AOPs in creating value products.

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CuFe2O4/CuO magnetic nano-composite activates PMS to remove ciprofloxacin: Ecotoxicity and DFT calculation

Cited by 87 publications

References 65 publications

Customized Microenvironments Spontaneously Facilitate Coupled Engineering of Real‐Life Large‐Scale Clean Water Capture and Pollution Remediation

Customized Microenvironments Spontaneously Facilitate Coupled Engineering of Real‐Life Large‐Scale Clean Water Capture and Pollution Remediation

Efficient degradation of formaldehyde based on DFT-screened metal-doped C₃N₆ monolayer photocatalysts: performance evaluation and mechanistic insights

Current Mechanism of Peroxymonosulfate Activation by Cobalt-Based Heterogeneous Catalysts in Degrading Organic Compounds

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CuFe2O4/CuO magnetic nano-composite activates PMS to remove ciprofloxacin: Ecotoxicity and DFT calculation

Cited by 87 publications

References 65 publications

Customized Microenvironments Spontaneously Facilitate Coupled Engineering of Real‐Life Large‐Scale Clean Water Capture and Pollution Remediation

Customized Microenvironments Spontaneously Facilitate Coupled Engineering of Real‐Life Large‐Scale Clean Water Capture and Pollution Remediation

Efficient degradation of formaldehyde based on DFT-screened metal-doped C3N6 monolayer photocatalysts: performance evaluation and mechanistic insights

Current Mechanism of Peroxymonosulfate Activation by Cobalt-Based Heterogeneous Catalysts in Degrading Organic Compounds

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Efficient degradation of formaldehyde based on DFT-screened metal-doped C₃N₆ monolayer photocatalysts: performance evaluation and mechanistic insights