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Photocatalytic performance of TiO2/g-C3N4 nanocomposite modified with carbon quantum dots for effective dye degradation: experiments and DFT studies


Citation

Ashwini, M. A. and Sagadevan, Suresh and Fatimah, Is and Paiman, Suriati and Upadhyay, Sumant and Garg, Seema and Johan, Mohd Rafie (2025) Photocatalytic performance of TiO2/g-C3N4 nanocomposite modified with carbon quantum dots for effective dye degradation: experiments and DFT studies. Journal of Alloys and Compounds, 1025. art. no. 180296. pp. 1-14. ISSN 0925-8388

Abstract

The water resources have been contaminated by the synthetic dyes that requires the effective wastewater treatment solutions due to the significant environmental and health challenges. This study reports the synthesis of a CQDs/g-C3N4/TiO2 ternary composite using a hydrothermal route to improve the photocatalytic degradation of methylene blue (MB). The structural and morphological properties of the synthesized composite are investigated using FTIR, XRD, Raman, SEM, TEM, and UV-Vis spectroscopy. The photocatalytic activity evaluated under UV light, demonstrates about 98.9 % MB degradation efficiency under optimized conditions of pH, catalyst dosage, and dye concentration. The findings emphasize the synergistic effects of the composite resulting with the enhanced photocatalytic performance. The First-Principles Density function theory (DFT) based calculations are carried out to elucidate the mechanism for improving the performance of the composite system. This work presents a facile method for treating wastewater and highlighted the potential of CQDs/g-C3N4/TiO2 nanocomposites for environmental remediation.


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Additional Metadata

Item Type: Article
Subject: Mechanics of Materials
Subject: Mechanical Engineering
Subject: Metals and Alloys
Divisions: Faculty of Science
DOI Number: https://doi.org/10.1016/j.jallcom.2025.180296
Publisher: Elsevier
Keywords: Wastewater treatment; Carbon quantum dots; DFT; Dye degradation; Graphitic carbon nitride
Sustainable Development Goals (SDGs): SDG 6: Clean Water and Sanitation, SDG 9: Industry, Innovation and Infrastructure, SDG 11: Sustainable Cities and Communities
Depositing User: Ms. Nur Faseha Mohd Kadim
Date Deposited: 07 May 2026 00:57
Last Modified: 07 May 2026 00:57
Altmetrics: http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.1016/j.jallcom.2025.180296
URI: http://psasir.upm.edu.my/id/eprint/124298
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