Effects of ferrous ion doping on the structural, optical, and electronic properties of tin tungstate materials

IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY
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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.
掺杂亚铁离子对钨酸锡材料的结构、光学和电子特性的影响
金属氧化物材料在多个应用领域有着广泛的应用。在 α - SnWO4 中掺入 Fe3+ 离子后,该材料的结构、光学和电子特性发生了显著变化,从而使其进入了储能器件应用领域。纯的和掺杂的 SnWO4 材料是用固态反应法制备的。通过 X 射线衍射观察到,在宿主中掺入铁离子后会出现两种不同的相。利用傅立叶变换红外光谱发现了不同的官能团及其振动,从而确认了所制备样品的结构。拉曼光谱确定了不同的分子内和分子间振动。发现纯 SnWO4 和 SnWO4: Fe3+ 离子的光学能带隙分别为 3.26 eV 和 2.78 eV。利用密度泛函理论计算验证了漫反射光谱得出的结果。发现理论带隙值接近实验值。通过 DFT 计算还获得了与实验结果可靠的光学光谱,并讨论了激子结合能。
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来源期刊
Journal of Physics and Chemistry of Solids
Journal of Physics and Chemistry of Solids 工程技术-化学综合
CiteScore
7.80
自引率
2.50%
发文量
605
审稿时长
40 days
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.
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