What question did this study set out to answer?

The aim is to explore how doping COF-PEDOT with heteroatoms influences its ability to adsorb paracetamol.

February 6, 2026RSC Advances2 citationsOpen Access

Chemical tailoring of heteroatom (P, S, Si) doping of COF-PEDOT for adsorption of paracetamol: perspective from DFT studies

IEInnocent E. EmengUniversity of Calabar ULUduak LukeUniversity of Uyo NGNguuma I. GberUniversity of Calabar

Key Points

The aim is to explore how doping COF-PEDOT with heteroatoms influences its ability to adsorb paracetamol.
Utilized density functional theory (DFT) for computational analysis
Examined various heteroatom dopings (P, S, Si) in COF-PEDOT
Assessed the adsorption capability for paracetamol under different conditions
Doping with specific heteroatoms significantly improved adsorption efficiency for paracetamol
Showed variations in adsorption strength based on the type of heteroatom used
Indicated the potential of these materials in addressing pharmaceutical contamination in water systems.

Abstract

The growing occurrence of pharmaceutical contaminants in aquatic systems has intensified the demand for advanced nanostructured materials capable of selective adsorption and removal of such pollutants.

Demander à l'IA

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