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<p>CuBi2O4 thin films were successfully synthesized via a cost-effective co-electrodeposition technique, by deposition of copper and bismuth precursors from aqueous solution onto ITO substrates, followed by high air-annealing temperature at 500&#xa0;°C. Structural characterization using X-ray diffraction (XRD) and Raman spectroscopy confirmed the formation of a polycrystalline tetragonal phase (P4/ncc). Energy-dispersive X-ray spectroscopy (EDX) revealed a near-stoichiometric Cu: Bi: O ratio of 1:2:4, while SEM analysis showed a uniform spherical-grain morphology. High-resolution TEM confirmed the film’s crystallinity at the nanoscale. Density Functional Theory (DFT) calculations demonstrated the presence of both direct and indirect bandgaps, and the electronic density of states suggested intrinsic magnetic behavior. A strong agreement between experimental and theoretical optical analyses was observed, with multiple bandgaps ranging from 1.5 to 2.9&#xa0;eV and a high absorption coefficient in the visible region exceeding 10<sup>4</sup> cm<sup>− 1</sup>. Photoelectrochemical measurements revealed clear p-type behavior, with a positive shift in open-circuit potential (OCP) from − 556 mV (dark) to − 540 mV (light), and a photocurrent density of approximately 0.35&#xa0;mA cm⁻² under illumination in 0.5&#xa0;M Na₂SO₄. These results demonstrate the potential of CuBi₂O₄ as an efficient photocathode for hydrogen evolution, while highlighting co-electrodeposition as a simple, scalable, and tunable approach for fabricating visible-light-active oxides for solar fuel and optoelectronic applications.</p>

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Structural, Optical, Photoelectrochemical, and Electronic Characterization of Co-Electrodeposited Tetragonal CuBi₂O₄ Thin Films: Experimental and DFT Insights

  • 期刊论文

  • 发表日期：

    2026年3月2日

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  • Y. Nejmi,
  • M. El Bouji,
  • M. Oubakalla,
  • Mustapha Beraich,
  • A. Yousfi,
  • A. El-Habib,
  • Kh. Fareh,
  • B. Jaber,
  • A. Zarrouk,
  • M. Fahoume

摘要

CuBi2O4 thin films were successfully synthesized via a cost-effective co-electrodeposition technique, by deposition of copper and bismuth precursors from aqueous solution onto ITO substrates, followed by high air-annealing temperature at 500 °C. Structural characterization using X-ray diffraction (XRD) and Raman spectroscopy confirmed the formation of a polycrystalline tetragonal phase (P4/ncc). Energy-dispersive X-ray spectroscopy (EDX) revealed a near-stoichiometric Cu: Bi: O ratio of 1:2:4, while SEM analysis showed a uniform spherical-grain morphology. High-resolution TEM confirmed the film’s crystallinity at the nanoscale. Density Functional Theory (DFT) calculations demonstrated the presence of both direct and indirect bandgaps, and the electronic density of states suggested intrinsic magnetic behavior. A strong agreement between experimental and theoretical optical analyses was observed, with multiple bandgaps ranging from 1.5 to 2.9 eV and a high absorption coefficient in the visible region exceeding 104 cm− 1. Photoelectrochemical measurements revealed clear p-type behavior, with a positive shift in open-circuit potential (OCP) from − 556 mV (dark) to − 540 mV (light), and a photocurrent density of approximately 0.35 mA cm⁻² under illumination in 0.5 M Na₂SO₄. These results demonstrate the potential of CuBi₂O₄ as an efficient photocathode for hydrogen evolution, while highlighting co-electrodeposition as a simple, scalable, and tunable approach for fabricating visible-light-active oxides for solar fuel and optoelectronic applications.