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<p>This study presents the synthesis and characterisation of ZnFe<sub>2</sub>O<sub>4</sub> and ZrO<sub><i>x</i></sub>-modified ZnFe<sub>2</sub>O<sub>4</sub> (1–3 wt%) nanocomposites via co-precipitation and wet impregnation for visible-light-driven, H<sub>2</sub>O<sub>2</sub>-assisted photo-Fenton degradation of antibiotics. Structural analysis confirmed a cubic spinel phase, while ZrO<sub><i>x</i></sub> incorporation induced a hierarchical sea urchin-like morphology, enhancing surface area, charge carrier separation, and electron mobility. Among the prepared materials, the 2 wt% ZrO<sub><i>x</i></sub>/ZnFe<sub>2</sub>O<sub>4</sub> nanocomposite exhibited the highest photocatalytic performance, achieving 93.4% and 97.6% removal of ciprofloxacin (CIP) and tetracycline hydrochloride (TCH), respectively, within 140 and 120&#xa0;min. Radical scavenging experiments identified hydroxyl (•OH) and superoxide (•O₂⁻) species as the dominant reactive oxygen species (ROS), supporting a photo-Fenton mechanism. Electrochemical analyses revealed n-type semiconducting behaviour and a conduction band potential of − 0.513&#xa0;V vs. NHE, favouring redox reactions. Density functional theory (DFT) calculations provided insight into band structure modifications and highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) transitions, correlating with improved charge transfer. The photocatalyst demonstrated excellent recyclability (~ 90% activity retention) and low cytotoxicity (&gt; 92% HEK-293 cell viability), underscoring its environmental and biological safety. These findings highlight the structure–function relationship and interfacial synergy in ZrO<sub><i>x</i></sub>/ZnFe<sub>2</sub>O<sub>4</sub> nanocomposites, demonstrating their potential as sustainable materials for antibiotic removal from water.</p>

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Interface-engineered ZrOx/ZnFe2O4 nanocomposites for enhanced visible-light photo-Fenton antibiotic degradation: Structure–function coupling and DFT insights

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年2月10日

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  • Velu Subash,
  • Velu Manikandan,
  • Thamaraiselvi Kanagaraj,
  • Duraisamy Elango,
  • Ponnuchamy Kumar,
  • Palaniyappan Jayanthi,
  • Kwang Soup Song

摘要

This study presents the synthesis and characterisation of ZnFe2O4 and ZrOx-modified ZnFe2O4 (1–3 wt%) nanocomposites via co-precipitation and wet impregnation for visible-light-driven, H2O2-assisted photo-Fenton degradation of antibiotics. Structural analysis confirmed a cubic spinel phase, while ZrOx incorporation induced a hierarchical sea urchin-like morphology, enhancing surface area, charge carrier separation, and electron mobility. Among the prepared materials, the 2 wt% ZrOx/ZnFe2O4 nanocomposite exhibited the highest photocatalytic performance, achieving 93.4% and 97.6% removal of ciprofloxacin (CIP) and tetracycline hydrochloride (TCH), respectively, within 140 and 120 min. Radical scavenging experiments identified hydroxyl (•OH) and superoxide (•O₂⁻) species as the dominant reactive oxygen species (ROS), supporting a photo-Fenton mechanism. Electrochemical analyses revealed n-type semiconducting behaviour and a conduction band potential of − 0.513 V vs. NHE, favouring redox reactions. Density functional theory (DFT) calculations provided insight into band structure modifications and highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) transitions, correlating with improved charge transfer. The photocatalyst demonstrated excellent recyclability (~ 90% activity retention) and low cytotoxicity (> 92% HEK-293 cell viability), underscoring its environmental and biological safety. These findings highlight the structure–function relationship and interfacial synergy in ZrOx/ZnFe2O4 nanocomposites, demonstrating their potential as sustainable materials for antibiotic removal from water.