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<p>Lignin is a typical refractory pollutant in industrial wastewater. Conventional treatment methods exhibit limited efficiency. TiO<sub>2</sub> is the earliest studied and most widely used photocatalyst, but its degradation efficiency under visible light is relatively low. This study developed a composite photocatalyst by combining sludge-derived activated carbon (SDAC) with TiO<sub>2</sub> under UV irradiation. The material was used for photocatalytic degradation of alkali lignin under visible light. Characterization results indicated that the visible light absorption edge of the composite material was red-shifted to 452&#xa0;nm, significantly expanding the light response range. Under visible light irradiation with 2&#xa0;h of UV pretreatment, the photocatalyst prepared under conditions where the SDAC and TiO<sub>2</sub> with a weight ratio of 0.20 achieved a degradation rate of 92.51% for a 0.10&#xa0;g/L alkali lignin solution within 300&#xa0;min. Molecular dynamics simulation results indicated that SDAC doping shifted the valence band upward and the conduction band downward in the composite material, reduced the bandgap, and formed three impurity energy levels near the Fermi level. Molecular dynamic simulation revealed that the hybridization between the C-2p orbitals in SDAC and the O-2p and Ti-3d orbitals in TiO<sub>2</sub> was the key factor enhancing the photocatalytic degradation efficiency of alkali lignin.</p>

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Ultraviolet-assisted synthesis of sludge-derived activated carbon/TiO2 composites for enhanced photocatalytic degradation of alkali lignin: molecular dynamic simulation and experimental study

  • 期刊论文

  • 发表日期：

    2026年2月18日

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  • En Shi,
  • Xiaoyue Dou,
  • Miao Zhang,
  • Zhixiao Zhu,
  • Junliang Yi,
  • Lin Liu,
  • Shiyao Feng

摘要

Lignin is a typical refractory pollutant in industrial wastewater. Conventional treatment methods exhibit limited efficiency. TiO2 is the earliest studied and most widely used photocatalyst, but its degradation efficiency under visible light is relatively low. This study developed a composite photocatalyst by combining sludge-derived activated carbon (SDAC) with TiO2 under UV irradiation. The material was used for photocatalytic degradation of alkali lignin under visible light. Characterization results indicated that the visible light absorption edge of the composite material was red-shifted to 452 nm, significantly expanding the light response range. Under visible light irradiation with 2 h of UV pretreatment, the photocatalyst prepared under conditions where the SDAC and TiO2 with a weight ratio of 0.20 achieved a degradation rate of 92.51% for a 0.10 g/L alkali lignin solution within 300 min. Molecular dynamics simulation results indicated that SDAC doping shifted the valence band upward and the conduction band downward in the composite material, reduced the bandgap, and formed three impurity energy levels near the Fermi level. Molecular dynamic simulation revealed that the hybridization between the C-2p orbitals in SDAC and the O-2p and Ti-3d orbitals in TiO2 was the key factor enhancing the photocatalytic degradation efficiency of alkali lignin.