Molecular modeling investigation on mechanism of diazinon pesticide removal from water by single- and multi-walled carbon nanotubes

In this study, the mechanism of diazinon adsorption on single-walled carbon nanotubes (SWNTs), as well as multi-walled carbon nanotubes (MWNTs), was investigated using molecular modelling. Determination of the lowest energy sites of different types of carbon nanotubes (CNTs) was demonstrated. The ad...

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Bibliographic Details
Main Authors: Xinbao Fu, Alaa Mohammed Hussein Wais, Yaser Yasin, Israa Taha Ibrahim, Ahmed Subhi Ali, Kadhum Al-Majdi, Waleed Mohammed Khazaal, Salema K. Hadrawi, Ahmed S. Abed, Yassin Riyahi, Yan Cao
Format: Article
Language:English
Published: Elsevier 2023-05-01
Series:Ecotoxicology and Environmental Safety
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S0147651323003615