Assessment of the potential and application of Be12O12 nanocage for removal of ciprofloxacin from water employing density functional theory

Assessment of the potential and application of Be12O12 nanocage for removal of ciprofloxacin from water employing density functional theory

Abstract The modern world is facing the issue of emerging pollutants for its sustainable development. We report a detailed study on the abatement of ciprofloxacin (CIP) by Be12O12 nanocage. Five different geometries of Be12O12 nanocage with CIP i.e., Com-A, Com-B, Com-C, Com-D and Com-E are optimize...

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Bibliographic Details
Main Authors: Qaisar Ali, Abdul Shakoor, Gul Rehman, Munir Ur Rehman, Momin Khan, Rashid Ahmad, Iftikhar Ahmad, Abdullah F. AlAsmari, Fawaz Alasmari
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:Scientific Reports
Subjects:
DFT
Beryllium oxide nanocage
Ciprofloxacin
Adsorption energies
Online Access:https://doi.org/10.1038/s41598-025-85155-3
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https://doi.org/10.1038/s41598-025-85155-3

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