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<p>Molybdenum-doped barium titanate (BaTiO<sub>3</sub>) nanostructures were fabricated by a solid-state reaction and evaluated for simultaneous enhancement of dielectric and optical performance. X-ray diffraction confirmed that progressively higher Mo content drives a tetragonal to cubic phase transformation, evidencing effective lattice tuning. Complementary SEM and EDX analyses showed well-defined grain morphology and uniform elemental distribution, verifying successful Mo incorporation. XPS detected Mo in mixed valence states (Mo<sup>3+</sup>/Mo<sup>4+</sup>/Mo<sup>6+</sup>) together with Ti<sup>3+</sup> species, implicating abundant oxygen vacancies that promote charge transport and surface reactivity. Dielectric measurements revealed a marked rise in room-temperature permittivity accompanied by lower loss, indicating improved polarization dynamics. UV–vis diffuse-reflectance spectra displayed a red-shifted absorption edge and a band-gap narrowing from 3.24&#xa0;eV (pristine BaTiO<sub>3</sub>) to 2.92&#xa0;eV (MBT4), thereby extending visible-light harvesting. All Mo-doped BaTiO<sub>3</sub> samples exhibited notable visible-light photocatalytic performance, with the 3% Mo-doped sample (MBT3) achieving significantly enhanced degradation of Congo red dye under direct sunlight. Notably, MBT3 demonstrated about 90% degradation efficiency within 60&#xa0;min, compared to the slower response of undoped BaTiO<sub>3</sub>, and the corresponding photocatalytic rate constant increased from 0.01754&#xa0;min<sup>−1</sup> (pure BTO) to 0.03673&#xa0;min<sup>−1</sup>, underscoring the superior reactivity and light-harvesting capability imparted by Mo incorporation. These results demonstrate that Mo incorporation simultaneously tailors BaTiO<sub>3</sub> crystal structure, electronic structure, and dielectric response, positioning the material as a promising multifunctional candidate for sustainable energy and environmental applications.</p>

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Synergistic optical, dielectric and visible-light photocatalytic enhancement in Mo-modified BaTiO3 nanostructures

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年10月27日

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  • Mohammed Ahmed Wahba,
  • Saad Mabrouk Yakout,
  • A. M. Youssef

摘要

Molybdenum-doped barium titanate (BaTiO3) nanostructures were fabricated by a solid-state reaction and evaluated for simultaneous enhancement of dielectric and optical performance. X-ray diffraction confirmed that progressively higher Mo content drives a tetragonal to cubic phase transformation, evidencing effective lattice tuning. Complementary SEM and EDX analyses showed well-defined grain morphology and uniform elemental distribution, verifying successful Mo incorporation. XPS detected Mo in mixed valence states (Mo3+/Mo4+/Mo6+) together with Ti3+ species, implicating abundant oxygen vacancies that promote charge transport and surface reactivity. Dielectric measurements revealed a marked rise in room-temperature permittivity accompanied by lower loss, indicating improved polarization dynamics. UV–vis diffuse-reflectance spectra displayed a red-shifted absorption edge and a band-gap narrowing from 3.24 eV (pristine BaTiO3) to 2.92 eV (MBT4), thereby extending visible-light harvesting. All Mo-doped BaTiO3 samples exhibited notable visible-light photocatalytic performance, with the 3% Mo-doped sample (MBT3) achieving significantly enhanced degradation of Congo red dye under direct sunlight. Notably, MBT3 demonstrated about 90% degradation efficiency within 60 min, compared to the slower response of undoped BaTiO3, and the corresponding photocatalytic rate constant increased from 0.01754 min−1 (pure BTO) to 0.03673 min−1, underscoring the superior reactivity and light-harvesting capability imparted by Mo incorporation. These results demonstrate that Mo incorporation simultaneously tailors BaTiO3 crystal structure, electronic structure, and dielectric response, positioning the material as a promising multifunctional candidate for sustainable energy and environmental applications.