Synergistic effect of mesoporous graphitic carbon nitride and peroxydisulfate in visible light-induced degradation of atenolol: A combined experimental and theoretical study

The visible light sensitive metal-free mesoporous graphitic carbon nitride (mpg-CN) was fabricated for photodegradation of atenolol (ATN), a widely used drug for cardiovascular diseases. Peroxydisulfate (PDS) as an electron acceptor as well as a radical origin was introduced to enhance the catalytic performance, and retaining the nature of metal-free and mesoporous of mpg-CN. The photo-induced holes, SO4?- and O2?- were identified as the active species. Integrated with density functional theory (DFT) calculations and photoelectrochemical experiments, the interaction among PDS, catalyst, and ATN is unveiled. PDS can obtain an electron from the catalyst, hence to improve the separation of electron-hole pairs and activates itself. ATN has stable chemical adsorption states on catalyst surface. Then the electron-deficient catalysts can acquire electrons from ATN. In addition, primary degradation sites of ATN and following possible degradation pathways were explored with DFT calculations and mass spectrometry analysis.

Automated summary

A metal-free mesoporous graphitic carbon nitride (mpg-CN) was used to degrade the cardiovascular drug atenolol (ATN). Introduction of peroxydisulfate (PDS) enhanced catalytic performance, with active species identified as photo-induced holes, SO4?- and O2?-. The interactions among PDS, catalyst, and ATN were unveiled through density functional theory (DFT) calculations and photoelectrochemical experiments.