State-of-the-art predictive modeling of heavy metal ions removal from the water environment using nanotubes

Abstract In this research, molecular dynamics (MD) simulation is used to investigate the efficiency of carbon nanotubes (CNT) and boron nitride nanotubes (BNNT) in removing lead ions from contaminated waters. Then the effect of functionalizing nanotubes with –COO– and COOH– functional groups and the...

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Bibliographic Details
Main Authors: Zeinab Ghasemi, Farzaneh Farzad, Ameneh Zaboli, Ali Zeraatkar Moghaddam
Format: Article
Language:English
Published: Nature Portfolio 2023-07-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-023-38442-w