{"title":"Effects of ferrous ion doping on the structural, optical, and electronic properties of tin tungstate materials","authors":"","doi":"10.1016/j.jpcs.2024.112418","DOIUrl":null,"url":null,"abstract":"<div><div>Metal oxide materials have widespread applications in multiple application fields. On doping Fe<sup>3+</sup> ions into α – SnWO<sub>4</sub>, structural, optical, and electronic properties varied noticeably leading the material into energy storage device applications. Pure and doped SnWO<sub>4</sub> materials were prepared using the solid-state reaction method. Two different phases were observed on doping Fe ions into the host observed through X-ray diffraction. Different functional groups and their vibrations were found using FTIR spectroscopy which deliberately led to the confirmation of the prepared sample's structure. Raman spectroscopy identified different intra and inter-molecular vibrations. Optical energy bandgap was found to be 3.26 eV and 2.78 eV for Pure SnWO<sub>4</sub> and SnWO<sub>4</sub>: Fe<sup>3+</sup> ions respectively. The results obtained from Diffuse reflectance spectra were validated using Density Functional Theory calculations. The theoretical band gap values were found to be close to the experimental value. The optical spectra were also obtained through DFT calculations which were reliable to experimental findings and exciton binding energies were discussed.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":null,"pages":null},"PeriodicalIF":4.3000,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Physics and Chemistry of Solids","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022369724005535","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Metal oxide materials have widespread applications in multiple application fields. On doping Fe3+ ions into α – SnWO4, structural, optical, and electronic properties varied noticeably leading the material into energy storage device applications. Pure and doped SnWO4 materials were prepared using the solid-state reaction method. Two different phases were observed on doping Fe ions into the host observed through X-ray diffraction. Different functional groups and their vibrations were found using FTIR spectroscopy which deliberately led to the confirmation of the prepared sample's structure. Raman spectroscopy identified different intra and inter-molecular vibrations. Optical energy bandgap was found to be 3.26 eV and 2.78 eV for Pure SnWO4 and SnWO4: Fe3+ ions respectively. The results obtained from Diffuse reflectance spectra were validated using Density Functional Theory calculations. The theoretical band gap values were found to be close to the experimental value. The optical spectra were also obtained through DFT calculations which were reliable to experimental findings and exciton binding energies were discussed.
期刊介绍:
The Journal of Physics and Chemistry of Solids is a well-established international medium for publication of archival research in condensed matter and materials sciences. Areas of interest broadly include experimental and theoretical research on electronic, magnetic, spectroscopic and structural properties as well as the statistical mechanics and thermodynamics of materials. The focus is on gaining physical and chemical insight into the properties and potential applications of condensed matter systems.
Within the broad scope of the journal, beyond regular contributions, the editors have identified submissions in the following areas of physics and chemistry of solids to be of special current interest to the journal:
Low-dimensional systems
Exotic states of quantum electron matter including topological phases
Energy conversion and storage
Interfaces, nanoparticles and catalysts.