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Effect of vanadium and tungsten doping on the structural, optical, and electronic characteristics of TiO2 nanoparticles

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Abstract

Nanoparticles of TiO2 and Ti0.97M0.03O2 (M≡V, W) samples were produced using sol–gel procedure. Utilizing synchrotron x-ray diffraction data, Rietveld refinement confirmed incorporation of V and W into TiO2 lattice forming a single anatase phase. The effect of doping on the cell parameters, Ti octahedral bond length and its distortion index, crystallite size and microstrain was studied. Also, the changes in the UV–Vis and photoluminescence spectra (color and intensity) were investigated. In the visible range, V-doped sample displayed the highest absorption. The direct optical band gap TiO2, V-, or W-doped TiO2 are 3.1 eV, 2.35 eV, and 2.25 eV, respectively. The density functional calculation (DFT) exhibited a semiconductor nature for undoped and doped TiO2 with V samples, while the W-doped TiO2 sample manifested a metallic characteristic. The effect of doping on the absorption, dielectric function, refractive index, extinction coefficient, and optical conductivity of TiO2 sample was explored using DFT calculation. The maximum value of the refractive index in the case of TiO2 occurred in the UV range, while the doped samples have maximum refractive index values in the visible range.

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Acknowledgements

The authors thank the support of Taif University Researchers Supporting Project number (TURSP-2020/12), Taif University, Taif, Saudi Arabia.

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Authors and Affiliations

  1. Physics Department, Faculty of Science, Ain Shams University, Cairo, Egypt

    Zein K. Heiba & Mohamed Bakr Mohamed

  2. Physics Department, Faculty of Science, Taibah University, Al-Madina al Munawarah, Saudi Arabia

    Mohamed Bakr Mohamed

  3. Department of Physics, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi Arabia

    Ali Badawi

  4. Department of Physics, University College of Turabah, Taif University, P.O. Box 11099, Taif, 21944, Saudi Arabia

    Ali Badawi

  5. SESAME (Synchrotron-light for Experimental Science and Applications in the Middle East), Allan, Jordan

    M. Abdellatief

Authors
  1. Zein K. Heiba
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  2. Mohamed Bakr Mohamed
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  4. M. Abdellatief
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Contributions

ZKH: supervision, methodology, and data curation. MBM: data collection, software, and writing—review and editing. AB: writing—review and editing, and funding. MA: XRD data collection.

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Correspondence to Zein K. Heiba or Ali Badawi.

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Heiba, Z.K., Mohamed, M.B., Badawi, A. et al. Effect of vanadium and tungsten doping on the structural, optical, and electronic characteristics of TiO2 nanoparticles. J Mater Sci: Mater Electron 33, 10399–10409 (2022). https://doi.org/10.1007/s10854-022-08027-w

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