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<p>In this study, AgVO<sub>3</sub>/Bi<sub>2</sub>WO<sub>6</sub>@g-C<sub>3</sub>N<sub>5</sub> nanocomposites were synthesized by a hydrothermal method for application as photocatalysts. These nanocomposites were thoroughly characterized through XRD, FESEM, EDS, HRTEM, UV–visible spectroscopy, and XPS. Under visible light irradiation, the synthesized photocatalyst was used to degrade the Sulfamethoxazole antibiotic (SMZ) and Rose Bengal (RB) dye. The results revealed that the photocatalytic degradation efficiency of the AgVO<sub>3</sub>/Bi<sub>2</sub>WO<sub>6</sub>@g-C<sub>3</sub>N<sub>5</sub> nanocomposite exceeded those of the host and binary materials. Notably, the nanocomposite achieved 96.48% and 98.81% degradation efficiency for the sulfamethoxazole (SMZ) antibiotic and Rose Bengal (RB) dye, underscoring its remarkable effectiveness. The observed increase in efficiency is due to the enhanced absorption of visible light, effective charge separation at the heterojunction interface among AgVO<sub>3</sub>, Bi<sub>2</sub>WO<sub>6</sub>, and g-C<sub>3</sub>N<sub>5</sub>, and an increased surface area, all of which collectively offer a greater number of active sites. DFT calculations were integrated with experimental observations to elucidate the photocatalytic degradation behaviour of SMZ and RB. ESP, NPA, Fukui function analyses identified electron-deficient regions and key reactive sites, particularly around the sulfonyl group and benzene ring. High Fukui indices at C2, C5, N7, N9 and N16 explain the preferential radical attack and observed degradation pathways. Based on these findings, the synthesized AgVO<sub>3</sub>/Bi<sub>2</sub>WO<sub>6</sub>@g-C<sub>3</sub>N<sub>5</sub> nanocomposite is highly beneficial for the removal of organic contaminants from various industrial settings.</p>

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Nitrogen-Rich g-C3N5 Decorated AgVO3/Bi2WO6 Double Z-Scheme Heterostructure for Visible-Light Driven Degradation of Emerging Pollutants: Mechanistic and DFT Insights

  • 期刊论文

  • 发表日期：

    2026年7月8日

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  • Arunpandian Muthuraj,
  • Mahendiraprabu Ganesan,
  • Tae Hwan Oh,
  • Selvakumar Karuppaiah,
  • Mani Durai,
  • Jeevaraj Murugan

摘要

In this study, AgVO3/Bi2WO6@g-C3N5 nanocomposites were synthesized by a hydrothermal method for application as photocatalysts. These nanocomposites were thoroughly characterized through XRD, FESEM, EDS, HRTEM, UV–visible spectroscopy, and XPS. Under visible light irradiation, the synthesized photocatalyst was used to degrade the Sulfamethoxazole antibiotic (SMZ) and Rose Bengal (RB) dye. The results revealed that the photocatalytic degradation efficiency of the AgVO3/Bi2WO6@g-C3N5 nanocomposite exceeded those of the host and binary materials. Notably, the nanocomposite achieved 96.48% and 98.81% degradation efficiency for the sulfamethoxazole (SMZ) antibiotic and Rose Bengal (RB) dye, underscoring its remarkable effectiveness. The observed increase in efficiency is due to the enhanced absorption of visible light, effective charge separation at the heterojunction interface among AgVO3, Bi2WO6, and g-C3N5, and an increased surface area, all of which collectively offer a greater number of active sites. DFT calculations were integrated with experimental observations to elucidate the photocatalytic degradation behaviour of SMZ and RB. ESP, NPA, Fukui function analyses identified electron-deficient regions and key reactive sites, particularly around the sulfonyl group and benzene ring. High Fukui indices at C2, C5, N7, N9 and N16 explain the preferential radical attack and observed degradation pathways. Based on these findings, the synthesized AgVO3/Bi2WO6@g-C3N5 nanocomposite is highly beneficial for the removal of organic contaminants from various industrial settings.