Experimental and molecular dynamics investigations on Z-scheme visible light Ag3PO4/CuWO4 photocatalysts for antibiotic degradation

被引：29

作者：

Jatav, Neha ^{[1
]}

Shrivastava, Anshu ^{[1
]}

De, Arup Kumar ^{[1
]}

Sinha, Indrajit ^{[1
]}

机构：

[1] Banaras Hindu Univ, Indian Inst Technol, Dept Chem, Varanasi 221005, India

来源：

JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING | 2022年 / 10卷 / 03期

关键词：

Z-scheme photocatalyst; Adsorption; Molecular dynamics; CIP degradation; MECHANISM; TETRACYCLINE; EFFICIENCY; STABILITY; G-C3N4; ZNO;

D O I：

10.1016/j.jece.2022.107975

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

We have developed all-solid-state Z-scheme Ag3PO4/CuWO4 two-component photocatalysts for ciprofloxacin (CIP) and tetracycline degradation under visible light irradiation. Besides the valence/conduction band positions, the adsorption behaviors of the components towards targeted organic moieties were the other factors contributing to this photocatalyst design. Aqueous medium large-scale molecular dynamics (MD) simulations delineated affinities of various species in the reaction medium towards different catalyst surfaces. The photocatalytic activity of the composite changed with the Ag3PO4 amount deposited on CuWO4 nanostructures. XPS analysis showed electron migration from the CuWO4 side to the Ag3PO4 part. Active species analysis by appropriate scavenger molecules revealed the oxidation of antibiotics on the photoexcited holes. A combination of experimental and MD observations helped formulate the probable photocatalytic mechanism.

引用

页数：11

共 40 条

[1] Compare the photocatalytic properties of nanocomposites with tandem n (AgBr)-n (Ag2CO3) and p (AgCl)-n (Ag2CO3) heterojunctions [J].

Asadollahi, A. ;

Sohrabnezhad, Sh. ;

Ansari, R. .

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2017, 91 :32-40

[2] Synthesis of CuWO4/Bi2S3 Z-scheme heterojunction with enhanced cephalexin photodegradation [J].

Askari, Najmeh ;

Beheshti, Masoud ;

Mowla, Dariush ;

Farhadian, Mehrdad .

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2020, 394

[3] Comparison of three carbon determination methods on naturally occurring substrates and the implication for the quantification of 'soil carbon' [J].

Conyers, M. K. ;

Poile, G. J. ;

Oates, A. A. ;

Waters, D. ;

Chan, K. Y. .

SOIL RESEARCH, 2011, 49 (01) :27-33

[4] Zn doping induced band gap widening of Ag 2 O nanoparticles [J].

De, Arup Kumar ;

Majumdar, Sourav ;

Pal, Shaili ;

Kumar, Sunil ;

Sinha, Indrajit .

JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 832

[5]

Dick T.J., 2005, Annual Reports in Computational Chemistry, V1, P59, DOI DOI 10.1016/S1574-1400(05)01005-4

[6] Influence of composition on optical and dispersion parameters of thermally evaporated non-crystalline Cd50S50-xSex thin films [J].

Hassanien, A. S. ;

Akl, Alaa A. .

JOURNAL OF ALLOYS AND COMPOUNDS, 2015, 648 :280-290

[7] Facile construction of hierarchical flower-like Z-scheme AgBr/Bi2WO6 photocatalysts for effective removal of tetracycline: Degradation pathways and mechanism [J].

Huang, Danlian ;

Li, Jing ;

Zeng, Guangming ;

Xue, Wenjing ;

Chen, Sha ;

Li, Zhihao ;

Deng, Rui ;

Yang, Yang ;

Cheng, Min .

CHEMICAL ENGINEERING JOURNAL, 2019, 375

[8] Computational Insight into the Mechanism of Arsenous Acid Adsorption on Magnetite (311) Surface [J].

Jain, Yash Manoj ;

Kuntail, Jyoti ;

Mukherjee, Ashim ;

Sinha, Indrajit .

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 58 (41) :19197-19201

[9] AgI/CuWO4 Z-scheme photocatalyst for the degradation of organic pollutants: Experimental and molecular dynamics studies [J].

Jatav, Neha ;

Kuntail, Jyoti ;

Khan, Danish ;

De, Arup Kumar ;

Sinha, Indrajit .

JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2021, 599 :717-729

[10] In-situ H2O2 production for tetracycline degradation on Ag/s-(Co3O4/NiFe2O4) visible light magnetically recyclable photocatalyst [J].

Kumar, Uttam ;

Kuntail, Jyoti ;

Kumar, Ajay ;

Prakash, Rajiv ;

Pai, Mrinal R. ;

Sinha, Indrajit .

APPLIED SURFACE SCIENCE, 2022, 589

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