Exploring the promising application of Be12O12 nanocage for the abatement of paracetamol using DFT simulations

Abstract The removal of paracetamol from water is of prime concern because of its toxic nature in aquatic environment. In the present research, a detailed DFT study is carried out to remove paracetamol drug from water with the help of Be12O12 to eliminate the related issues. Three different geometri...

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Bibliographic Details
Main Authors: Sana Gul, Kainat, Qaisar Ali, Momin Khan, Munir Ur Rehman, Abdullah F. AlAsmari, Fawaz Alasmari, Metab Alharbi
Format: Article
Language:English
Published: Nature Portfolio 2023-10-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-023-45674-3