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Functionalization and density functional theory investigation of silver-decorated graphitic carbon nitride for enhanced visible-light photocatalysis: Tetracycline degradation and hydrogen peroxide generation.

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Title: Functionalization and density functional theory investigation of silver-decorated graphitic carbon nitride for enhanced visible-light photocatalysis: Tetracycline degradation and hydrogen peroxide generation.
Authors: Cong, Che Quang1,2,3 (AUTHOR), Dat, Nguyen Minh1,2,3 (AUTHOR), Nam, Nguyen Thanh Hoai1,2,3 (AUTHOR), Vu, Nguyen Hung1,2,3 (AUTHOR), Huong, Le Minh1,2,3 (AUTHOR), Hieu, Nguyen Huu1,2,3 (AUTHOR) nhhieubk@hcmut.edu.vn
Source: Ceramics International. Apr2026:Part A, Vol. 52 Issue 9, p12069-12089. 21p.
Subjects: Photocatalysis, Hydrogen peroxide, Tetracycline, Environmental remediation, Photocatalysts, Organic water pollutants, Density functional theory
Abstract: Herein, hydrogen peroxide (H 2 O 2) was introduced as a mild oxidizing reagent for functionalizing graphitic carbon nitride(g-C 3 N 4 (CN)), before the photo-reduction of AgNO 3 to form silver-decorated graphitic carbon nitride (Ag@CN (ACN)). Characterization results magnified the influence of precursor composition on the crystalline nature of CN, whilst the H 2 O 2 treatment introduced hydroxyl and defects onto the graphitic structure. Density functional theory was utilized to simulate the structure of CN, oxygenated CN, and ACN. The dosage of Ag also impacted the photocatalysis of ACN, revealing an optimal catalyst through sole melamine as the precursor and 600 μL of AgNO 3 under visible light radiation, with relatively uniform dispersion and an average particle size of ∼30 nm. The obtained material indicated nearly complete tetracycline degradation after 120 min under natural sunlight, and promising H 2 O 2 production (334.26 μM) after the 180 min with methanol as the sacrificial agent. Conclusively, the fabricated ACN material highlights an effective assembly pathway for environmental remediation of aqueous organic contaminants and energy production sectors. [ABSTRACT FROM AUTHOR]
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Abstract:Herein, hydrogen peroxide (H 2 O 2) was introduced as a mild oxidizing reagent for functionalizing graphitic carbon nitride(g-C 3 N 4 (CN)), before the photo-reduction of AgNO 3 to form silver-decorated graphitic carbon nitride (Ag@CN (ACN)). Characterization results magnified the influence of precursor composition on the crystalline nature of CN, whilst the H 2 O 2 treatment introduced hydroxyl and defects onto the graphitic structure. Density functional theory was utilized to simulate the structure of CN, oxygenated CN, and ACN. The dosage of Ag also impacted the photocatalysis of ACN, revealing an optimal catalyst through sole melamine as the precursor and 600 μL of AgNO 3 under visible light radiation, with relatively uniform dispersion and an average particle size of ∼30 nm. The obtained material indicated nearly complete tetracycline degradation after 120 min under natural sunlight, and promising H 2 O 2 production (334.26 μM) after the 180 min with methanol as the sacrificial agent. Conclusively, the fabricated ACN material highlights an effective assembly pathway for environmental remediation of aqueous organic contaminants and energy production sectors. [ABSTRACT FROM AUTHOR]
ISSN:02728842
DOI:10.1016/j.ceramint.2026.01.364