Visible-light-driven photocatalytic degradation of ibuprofen by Cu-doped tubular C3N4: Mechanisms, degradation pathway and DFT calculation

Zhi-Bang Lv; Jiao Feng; Ru-Jin Zhao; Jun-Jian Shen; Wen-Wen Yang

doi:10.1016/j.chemosphere.2024.142106

Visible-light-driven photocatalytic degradation of ibuprofen by Cu-doped tubular C₃N₄: Mechanisms, degradation pathway and DFT calculation

Chemosphere. 2024 Apr 24:358:142106. doi: 10.1016/j.chemosphere.2024.142106. Online ahead of print.

Authors

Zhi-Bang Lv¹, Jiao Feng¹, Ru-Jin Zhao¹, Jun-Jian Shen², Wen-Wen Yang³

Affiliations

¹ School of the Environment and Safety Engineering, Jiangsu University, Zhenjiang, 212013, Jiangsu, China.
² School of the Environment and Safety Engineering, Jiangsu University, Zhenjiang, 212013, Jiangsu, China. Electronic address: shenjj@ujs.edu.cn.
³ School of the Environment and Safety Engineering, Jiangsu University, Zhenjiang, 212013, Jiangsu, China; Jiangsu Collaborative Innovation Center of Technology and Material of Water Treatment, Suzhou, 215009, China. Electronic address: yangwenwen@ujs.edu.cn.

PMID: 38670512
DOI: 10.1016/j.chemosphere.2024.142106

Abstract

The copper-modified tubular carbon nitride (CTCN) with higher specific surface area and pore volume was prepared by a simple in-situ hydrolysis and self-assembly. Increased ∼4.7-fold and ∼2.3-fold degradation rate for a representative refractory water pollutant (Ibuprofen, IBP) were achieved with low-energy light source (LED, 420 ± 10 nm), as compared to graphitic carbon nitride (GCN) and tubular carbon nitride (TCN), respectively. The high efficiency of IBP removal was supported by narrow band gap (2.15 eV), high photocurrent intensity (1.10 μA/cm²) and the high surface -OH group (14.75 μg/cm³) of CTCN. According to analysis of the various reactive species in the degradation, the superoxide radical (^•O₂^-) played a dominant role, followed by ^•OH and h⁺, responsible for IBP degradation. Furthermore, Fukui functions were employed to predict the active sites of IBP, and combined with the HPLC-MS/MS results, possible mechanisms and pathways for photocatalytic degradation were indicated. This study will lay an important scientific foundation and a possible new approach for the treatment of emerging aromatic organic pollutants in visible-light-driven heterogeneous catalytic oxidation environment.

Keywords: Cu; DFT; Graphite carbon nitride; Ibuprofen; Photocatalytic degradation.