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<p>Heterojunctions comprising wide and narrow gap materials with distinct band edge potentials always remain an ideal choice to operate under wide spectrum of solar light for the photocatalytic reactions. In this context, integrating ZnO and g-C<sub>3</sub>N<sub>4</sub> gains prominent interest from the prospect of easy preparation and suitable band edge positions to form the heterojunctions. In the current work, the ZnO/g-C<sub>3</sub>N<sub>4</sub> is obtained by annealing the pre-crystallized materials (550&#xa0;°C) and characterized by using various analytical techniques. The X-ray diffraction results confirmed the composite formation, while the optical response measurements revealed the light absorption ability in the visible region. The ZnO/g-C<sub>3</sub>N<sub>4</sub> enabled the faster degradation of indigo carmine dye compared to individual phase counterparts under the light illuminated conditions. This was attributed to the formation of S-scheme heterojunction which allowed energetic charge carriers to participate in the reactions and was later supported with radical scavenging experiments. Furthermore, the density functional theory calculations indicated the formation of interfacial bonds such as Zn–N and Zn–C which played a vital role in boosting the charge carrier separation process.</p>

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Facile preparation of g-C3N4/ZnO S-scheme heterojunction for photocatalysis: insights from the DFT studies and radical scavenging experiments

  • 期刊论文

  • 发表日期：

    2025年9月12日

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  • C. P. Prathibha,
  • Srinivas Mallapur,
  • Sumanjali Kota,
  • B. M. Rajesh,
  • Sumit B. Bubanale,
  • Sanjeev P. Maradur,
  • R. Shyamala,
  • S. Girish Kumar

摘要

Heterojunctions comprising wide and narrow gap materials with distinct band edge potentials always remain an ideal choice to operate under wide spectrum of solar light for the photocatalytic reactions. In this context, integrating ZnO and g-C3N4 gains prominent interest from the prospect of easy preparation and suitable band edge positions to form the heterojunctions. In the current work, the ZnO/g-C3N4 is obtained by annealing the pre-crystallized materials (550 °C) and characterized by using various analytical techniques. The X-ray diffraction results confirmed the composite formation, while the optical response measurements revealed the light absorption ability in the visible region. The ZnO/g-C3N4 enabled the faster degradation of indigo carmine dye compared to individual phase counterparts under the light illuminated conditions. This was attributed to the formation of S-scheme heterojunction which allowed energetic charge carriers to participate in the reactions and was later supported with radical scavenging experiments. Furthermore, the density functional theory calculations indicated the formation of interfacial bonds such as Zn–N and Zn–C which played a vital role in boosting the charge carrier separation process.