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From Electronic Structure to Environmental Remediation: Adsorption of Ionized Glyphosate on COOH-Modified Carbon Nanotube
H. T. Silva, L. C. S. Faria, C. Aguiar +2
Glyphosate is a widely used herbicide whose persistence and toxicity in aquatic and terrestrial environments demand efficient removal strategies. Here we employ GFN2 xTB calculatio…
pH-Responsive Glyphosate Adsorption on Hydroxylated Carbon Nanotubes: From Electronic Structure to Molecular Dynamics
H. T. Silva, L. C. S. Faria, T. A. Aversi-Ferreira +1
This computational study investigates glyphosate adsorption mechanisms on hydroxyl-functionalized carbon nanotubes (CNTs) as an alternative approach for environmental remediation.…
Computational study of interactions between ionized glyphosate and carbon nanotube: An alternative for mitigating environmental contamination
H. T. Silva, L. C. S. Faria, T. A. Aversi-Ferreira +1
The extensive use of glyphosate in agriculture has raised environmental concerns due to its adverse effects on plants, animals, microorganisms, and humans. This study investigates…