AgI/CuWO4 Z-scheme photocatalyst for the degradation of organic pollutants: Experimental and molecular dynamics studies

被引：68

作者：

Jatav, Neha ^{[1
]}

Kuntail, Jyoti ^{[1
]}

Khan, Danish ^{[1
]}

De, Arup Kumar ^{[1
]}

Sinha, Indrajit ^{[1
]}

机构：

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

来源：

JOURNAL OF COLLOID AND INTERFACE SCIENCE | 2021年 / 599卷

关键词：

Z-scheme photocatalysts; AgI/CuWO4; Ciprofloxacin; Molecular dynamics simulations; NANOCOMPOSITE PHOTOCATALYSTS; MINERALIZATION EFFICIENCY; LIGHT; INSIGHT; WATER; TETRACYCLINE; PERFORMANCE; FABRICATION; REMOVAL;

D O I：

10.1016/j.jcis.2021.04.120

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

While the knowledge of the adsorption properties of components of a composite heterogeneous photocatalyst is critical to its applicability to a particular reaction, there has been little research in this direction. The present research is on the development of AgI/CuWO4 nanocomposites that photocatalytically degraded ciprofloxacin and rhodamine B in an aqueous medium under visible light irradiation. The nanocomposites were prepared by a step-wise precipitation protocol. XPS analysis and active species trapping experiments demonstrated that the photocatalysis proceeded by a Z-scheme mechanism. Large scale aqueous medium molecular dynamics simulations showed that oxygen and CIP adsorb on the AgI part, while water interacts intensely with the CuWO4 component. Information from experimental and molecular dynamics studies was combined to arrive at the photocatalysis mechanism. (C) 2021 Elsevier Inc. All rights reserved.YY

引用

页码：717 / 729

页数：13