{"title":"Core shell ZnO-MnO2 nanocomposites for dye degradation and DFT simulation","authors":"F. Joudi, W. Selmi, J. Ben Naceur, R. Chtourou","doi":"10.1007/s13738-024-03118-3","DOIUrl":null,"url":null,"abstract":"<div><p>To enhance the photogeneration and separation of charge carriers, ZnO/MnO<sub>2</sub> nanocomposites were efficiently synthesized using a simple hydrothermal process and tested as photocatalyst for dye degradation. The samples of ZnO, MnO<sub>2</sub>, and ZnO/MnO<sub>2</sub> nanocomposites were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV–vis diffuse reflection spectroscopy, and photoluminescence spectra (PL). The photocatalytic activity of the ZnO/MnO<sub>2</sub> prepared using 10 mg was significantly higher than that of ZnO or MnO<sub>2</sub>, as demonstrated by optical and photoluminescence measurements. In fact, the degradation efficiency of methyl orange (MO) with ZnO/MnO<sub>2</sub> (10 mg) reaching to 98% after 2 h of sunlight irradiation. The enhanced degradation of MO compared with pure ZnO and MnO<sub>2</sub> can be attributed to the high surface area, efficient sunlight absorption, and excellent charge carrier separation of the ZnO/MnO<sub>2</sub> photocatalyst. Density functional theory (DFT) simulations of ZnO and MnO<sub>2</sub> further revealed the electronic origins of the structural properties, showing that the photocatalytic activity is due to the electron transitions between the valence and conduction bands of materials.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"21 11","pages":"2851 - 2861"},"PeriodicalIF":2.2000,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of the Iranian Chemical Society","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s13738-024-03118-3","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
To enhance the photogeneration and separation of charge carriers, ZnO/MnO2 nanocomposites were efficiently synthesized using a simple hydrothermal process and tested as photocatalyst for dye degradation. The samples of ZnO, MnO2, and ZnO/MnO2 nanocomposites were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV–vis diffuse reflection spectroscopy, and photoluminescence spectra (PL). The photocatalytic activity of the ZnO/MnO2 prepared using 10 mg was significantly higher than that of ZnO or MnO2, as demonstrated by optical and photoluminescence measurements. In fact, the degradation efficiency of methyl orange (MO) with ZnO/MnO2 (10 mg) reaching to 98% after 2 h of sunlight irradiation. The enhanced degradation of MO compared with pure ZnO and MnO2 can be attributed to the high surface area, efficient sunlight absorption, and excellent charge carrier separation of the ZnO/MnO2 photocatalyst. Density functional theory (DFT) simulations of ZnO and MnO2 further revealed the electronic origins of the structural properties, showing that the photocatalytic activity is due to the electron transitions between the valence and conduction bands of materials.
期刊介绍:
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