{"title":"Oxygen vacancy activated inlaid Fe active sites in WO3 for sustainable and efficient photo-Fenton oxidation in a wide pH range","authors":"Zhimin Yuan , Honghai Miao , Zaiyong Jiang , Xingling Zhao , Shukui Shi , Xianglin Zhu","doi":"10.1016/j.mcat.2025.114962","DOIUrl":null,"url":null,"abstract":"<div><div>The efficient and sustaining activation of Fe sites is of great importance for the heterogeneous photo-Fenton system. Here, through a simple doping strategy, the active Fe centers have been introduced into oxygen vacancy-rich WO<sub>3</sub> nanoplates. The Fe sites were activated by the electron transferring from W atom to Fe sites because of oxygen vacancies association between W and Fe in the photo-excitation process. The directional transport of electrons not only promoted the regeneration of Fe<sup>2+</sup> to continuously activate the photo-Fenton system, but also promoted the transfer of the photogenerated charge carriers. In addition, the results of the DFT calculations prove that the doping of Fe in turn helps the stability of the oxygen vacancy. As a result, the optimized Fe–WO<sub>3</sub>–0.75 sample exhibited a kinetic rate of 0.0424 min<sup>-1</sup> in the degradation of tetracycline hydrochloride. This rate is more than three times higher than that of WO<sub>3</sub> (0.0137 min<sup>-1</sup>). The Fe–WO<sub>3</sub> catalyst exhibited a good stability and a wide range of adaptability of pH values by taking advantage of the synergy of Fe sites and oxygen vacancy, which indicates the practical potentials for environmental applications.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"577 ","pages":"Article 114962"},"PeriodicalIF":3.9000,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molecular Catalysis","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2468823125001488","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The efficient and sustaining activation of Fe sites is of great importance for the heterogeneous photo-Fenton system. Here, through a simple doping strategy, the active Fe centers have been introduced into oxygen vacancy-rich WO3 nanoplates. The Fe sites were activated by the electron transferring from W atom to Fe sites because of oxygen vacancies association between W and Fe in the photo-excitation process. The directional transport of electrons not only promoted the regeneration of Fe2+ to continuously activate the photo-Fenton system, but also promoted the transfer of the photogenerated charge carriers. In addition, the results of the DFT calculations prove that the doping of Fe in turn helps the stability of the oxygen vacancy. As a result, the optimized Fe–WO3–0.75 sample exhibited a kinetic rate of 0.0424 min-1 in the degradation of tetracycline hydrochloride. This rate is more than three times higher than that of WO3 (0.0137 min-1). The Fe–WO3 catalyst exhibited a good stability and a wide range of adaptability of pH values by taking advantage of the synergy of Fe sites and oxygen vacancy, which indicates the practical potentials for environmental applications.
期刊介绍:
Molecular Catalysis publishes full papers that are original, rigorous, and scholarly contributions examining the molecular and atomic aspects of catalytic activation and reaction mechanisms. The fields covered are:
Heterogeneous catalysis including immobilized molecular catalysts
Homogeneous catalysis including organocatalysis, organometallic catalysis and biocatalysis
Photo- and electrochemistry
Theoretical aspects of catalysis analyzed by computational methods