Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradation
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 relatio...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-09-01
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| Series: | Water Research X |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2589914725000143 |
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| author | Hong Tu Bihong Tian Zhichao Zhao Renjiang Guo Ya Wang Shunhong Chen Jian Wu |
| author_facet | Hong Tu Bihong Tian Zhichao Zhao Renjiang Guo Ya Wang Shunhong Chen Jian Wu |
| author_sort | Hong Tu |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-2fdf708e43564ae490b53f6efa88b07f |
| institution | Kabale University |
| issn | 2589-9147 |
| language | English |
| publishDate | 2025-09-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Water Research X |
| spelling | doaj-art-2fdf708e43564ae490b53f6efa88b07f2025-02-12T05:31:40ZengElsevierWater Research X2589-91472025-09-0128100315Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradationHong Tu0Bihong Tian1Zhichao Zhao2Renjiang Guo3Ya Wang4Shunhong Chen5Jian Wu6State Key Laboratory of Green Pesticides, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, PR ChinaState Key Laboratory of Green Pesticides, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, PR ChinaState Key Laboratory of Green Pesticides, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, PR ChinaState Key Laboratory of Green Pesticides, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, PR ChinaState Key Laboratory of Green Pesticides, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, PR ChinaState Key Laboratory of Green Pesticides, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, PR ChinaCorresponding author.; State Key Laboratory of Green Pesticides, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Huaxi District, Guiyang 550025, PR ChinaThe 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.http://www.sciencedirect.com/science/article/pii/S2589914725000143DFT calculationElectron-hole pairWastewater contaminantsVisible-light photocatalysis |
| spellingShingle | Hong Tu Bihong Tian Zhichao Zhao Renjiang Guo Ya Wang Shunhong Chen Jian Wu Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradation Water Research X DFT calculation Electron-hole pair Wastewater contaminants Visible-light photocatalysis |
| title | Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradation |
| title_full | Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradation |
| title_fullStr | Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradation |
| title_full_unstemmed | Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradation |
| title_short | Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradation |
| title_sort | research on the influence of g c3n4 microstructure changes on the efficiency of visible light photocatalytic degradation |
| topic | DFT calculation Electron-hole pair Wastewater contaminants Visible-light photocatalysis |
| url | http://www.sciencedirect.com/science/article/pii/S2589914725000143 |
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