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<p>Cobalt-doped SnO<sub>2</sub> samples with varying Co concentrations (x = 0.01, 0.03, and 0.05) were synthesized using a straightforward chemical method. The prepared samples underwent a comprehensive characterization employing powder X-ray diffraction (PXRD), UV-Visible spectrophotometry (UV-Vis), photoluminescence (PL), and Fourier transform infrared spectroscopy (FTIR). Analysis of the PXRD data revealed that the mean crystallite size fell within the range of 7 to 18&#xa0;nm, as determined by the Scherrer formula. Furthermore, lattice constants and cell volumes were computed from the XRD data. Utilizing the maximum entropy method (MEM), charge density distribution and interatomic bonding within the unit cell of cobalt-doped SnO<sub>2</sub> were investigated. These analyses showed that the introduction of cobalt into the system enhanced the ionic bond between Sn and O, as indicated by the mid-bond density values. The UV-Vis analysis indicated that the optical band gap (Eg) falls within the range of 3.86&#xa0;eV to 4.25&#xa0;eV. The photoluminescence spectra unveiled emission wavelengths ranging from 355&#xa0;nm to 369&#xa0;nm, highlighting the optical reactivity of these SnO<sub>2</sub> materials doped with cobalt in the ultraviolet region. Additionally, the presence of crucial functional groups at different stages of the synthesis process was discussed in light of the FTIR results.</p>

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Insights into the Structural, Optical, and Electron Density Features of Sn(1−x)CoxO2

  • 期刊论文

  • 发表日期：

    2026年3月31日

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  • J. Mangaiyarkkarasi,
  • S. Sasikumar,
  • G. Gowri,
  • J. Shanthalakshmi Revathy

摘要

Cobalt-doped SnO2 samples with varying Co concentrations (x = 0.01, 0.03, and 0.05) were synthesized using a straightforward chemical method. The prepared samples underwent a comprehensive characterization employing powder X-ray diffraction (PXRD), UV-Visible spectrophotometry (UV-Vis), photoluminescence (PL), and Fourier transform infrared spectroscopy (FTIR). Analysis of the PXRD data revealed that the mean crystallite size fell within the range of 7 to 18 nm, as determined by the Scherrer formula. Furthermore, lattice constants and cell volumes were computed from the XRD data. Utilizing the maximum entropy method (MEM), charge density distribution and interatomic bonding within the unit cell of cobalt-doped SnO2 were investigated. These analyses showed that the introduction of cobalt into the system enhanced the ionic bond between Sn and O, as indicated by the mid-bond density values. The UV-Vis analysis indicated that the optical band gap (Eg) falls within the range of 3.86 eV to 4.25 eV. The photoluminescence spectra unveiled emission wavelengths ranging from 355 nm to 369 nm, highlighting the optical reactivity of these SnO2 materials doped with cobalt in the ultraviolet region. Additionally, the presence of crucial functional groups at different stages of the synthesis process was discussed in light of the FTIR results.