Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradation

IF 7.2 2区环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL

Water Research X Pub Date : 2025-02-08 DOI:10.1016/j.wroa.2025.100315

Hong Tu, Bihong Tian, Zhichao Zhao, Renjiang Guo, Ya Wang, Shunhong Chen, Jian Wu

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Abstract

The structural modulation of pristine graphitic carbon nitride poses a considerable challenge in the rational design of catalysts for the efficient degradation of small organic pollutants under visible light. In this study, we combined first-principles calculations and the structure-function relationship to predict a high-performance catalyst. The results reveal that CN-8 demonstrates a remarkable degree of electron-hole separation. Notably, CN-8 shows exceptional degradation efficiency towards rhodamine B, tetracycline, bisphenol A, and fluralaner under visible light irradiation. Specifically, the degradation rate constants are 11, 4, 12, and 32 times higher, respectively, compared to bulk g-C₃N₄. Through density functional theory calculations and investigations of the structure-function relationship, it is confirmed that the superior catalytic activity of CN-8 lies in modifying the amino position, which alters the electron cloud distribution and promotes the efficient separation of photo-generated electron-hole pairs. This study provides valuable insights for the development of eco-friendly and efficient photocatalysts for environmental remediation.

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来源期刊

Water Research X Environmental Science-Water Science and Technology

CiteScore

12.30

自引率

1.30%

发文量

期刊介绍： Water Research X is a sister journal of Water Research, which follows a Gold Open Access model. It focuses on publishing concise, letter-style research papers, visionary perspectives and editorials, as well as mini-reviews on emerging topics. The Journal invites contributions from researchers worldwide on various aspects of the science and technology related to the human impact on the water cycle, water quality, and its global management.