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<p>A novel WO<sub>3</sub>/ZnV<sub>2</sub>O<sub>6</sub> (WZV) 1D–2D heterojunction photocatalyst was successfully synthesized via a facile ultrasonic-assisted assembly approach and evaluated for the visible-light-driven degradation of Rhodamine B (RhB) dye and ofloxacin (OFL) antibiotic. The structural, morphological, optical, and surface properties of the synthesized materials were comprehensively characterized using XRD, FTIR, SEM–EDX, elemental mapping, TEM, BET, UV–vis DRS, and photoluminescence analyses. The results confirmed the successful integration of WO<sub>3</sub> nanorods with ZnV<sub>2</sub>O<sub>6</sub> nanosheets, leading to the formation of an intimate heterojunction interface between them. Compared with the individual components, the WO<sub>3</sub>/ZnV<sub>2</sub>O<sub>6</sub> heterojunction exhibited enhanced visible-light absorption, reduced charge carrier recombination, and improved charge transfer efficiency. Under visible-light irradiation, the optimized WZV photocatalyst achieved degradation efficiencies of 97.92% for RhB within 35&#xa0;min and 95.12% for OFL within 80&#xa0;min. Reactive species trapping experiments revealed that <sup>•</sup>OH and O<sub>2</sub><sup>•⁻</sup> radicals play dominant roles in the photocatalytic process. The catalyst also demonstrated excellent stability and reusability over multiple cycles. Furthermore, LC–MS analysis was employed to identify the degradation intermediates and propose plausible degradation pathways for OFL. Density functional theory (DFT) calculations, including frontier molecular orbital, electrostatic potential, and Fukui function analyses, were performed to elucidate the reactive sites and degradation mechanisms at the molecular level. The enhanced photocatalytic activity was attributed to efficient interfacial charge migration via a direct Z-scheme heterojunction mechanism, which effectively promoted charge separation while preserving strong redox capability. This study provides a promising strategy for designing highly efficient WO<sub>3</sub>-based heterojunction photocatalysts for wastewater remediation.</p>

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Interface-Driven Z-Scheme charge migration in WO3@ZnV2O6 1D–2D heterojunctions for high-performance photocatalytic water remediation: Mechanistic and DFT perspectives

  • 期刊论文

  • 发表日期：

    2026年7月11日

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  • K. Prakash,
  • M. Arunpandian,
  • G. Mahendiraprabu,
  • K. Selvakumar,
  • M. Jeevaraj

摘要

A novel WO3/ZnV2O6 (WZV) 1D–2D heterojunction photocatalyst was successfully synthesized via a facile ultrasonic-assisted assembly approach and evaluated for the visible-light-driven degradation of Rhodamine B (RhB) dye and ofloxacin (OFL) antibiotic. The structural, morphological, optical, and surface properties of the synthesized materials were comprehensively characterized using XRD, FTIR, SEM–EDX, elemental mapping, TEM, BET, UV–vis DRS, and photoluminescence analyses. The results confirmed the successful integration of WO3 nanorods with ZnV2O6 nanosheets, leading to the formation of an intimate heterojunction interface between them. Compared with the individual components, the WO3/ZnV2O6 heterojunction exhibited enhanced visible-light absorption, reduced charge carrier recombination, and improved charge transfer efficiency. Under visible-light irradiation, the optimized WZV photocatalyst achieved degradation efficiencies of 97.92% for RhB within 35 min and 95.12% for OFL within 80 min. Reactive species trapping experiments revealed that •OH and O2•⁻ radicals play dominant roles in the photocatalytic process. The catalyst also demonstrated excellent stability and reusability over multiple cycles. Furthermore, LC–MS analysis was employed to identify the degradation intermediates and propose plausible degradation pathways for OFL. Density functional theory (DFT) calculations, including frontier molecular orbital, electrostatic potential, and Fukui function analyses, were performed to elucidate the reactive sites and degradation mechanisms at the molecular level. The enhanced photocatalytic activity was attributed to efficient interfacial charge migration via a direct Z-scheme heterojunction mechanism, which effectively promoted charge separation while preserving strong redox capability. This study provides a promising strategy for designing highly efficient WO3-based heterojunction photocatalysts for wastewater remediation.