November 9, 2025Open Access

pH-Responsive Glyphosate Adsorption on Hydroxylated Carbon Nanotubes: From Electronic Structure to Molecular Dynamics

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Authors

HSH. T. Silva LFLetícia Carolaine Silva Faria TATales Alexandre Aversi‐Ferreira

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Overview

Computational analysis demonstrates functionalization enhances glyphosate adsorption in carbon nanotubes, suggesting viable environmental remediation applications.

Key Points

Higher hydroxyl concentrations increase glyphosate adsorption capacity on carbon nanotubes significantly, highlighting control over binding energies.
Molecular dynamics simulations reveal enhanced spatial organization on hydroxyl-functionalized carbon nanotube surfaces and reduced molecular mobility for glyphosate.
Electronic structure and topological analyses confirm strong interactions with optimized charge reactivity in the adsorbent systems tested.
Findings suggest that functionalized carbon nanotubes provide a promising avenue for glyphosate detection and effective environmental remediation solutions.

Cite This Study

Silva et al. (2025) studied this question.

synapsesocial.com/papers/690fdcdaf60c54d04ea3827e https://doi.org/10.48550/arxiv.2511.03615

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November 9, 2025Open Access

pH-Responsive Glyphosate Adsorption on Hydroxylated Carbon Nanotubes: From Electronic Structure to Molecular Dynamics

View Full Paper

Ask AI

Bookmark

Authors

HSH. T. Silva LFLetícia Carolaine Silva Faria TATales Alexandre Aversi‐Ferreira

Discussion

Member takes

Overview

Computational analysis demonstrates functionalization enhances glyphosate adsorption in carbon nanotubes, suggesting viable environmental remediation applications.

Key Points

Higher hydroxyl concentrations increase glyphosate adsorption capacity on carbon nanotubes significantly, highlighting control over binding energies.
Molecular dynamics simulations reveal enhanced spatial organization on hydroxyl-functionalized carbon nanotube surfaces and reduced molecular mobility for glyphosate.
Electronic structure and topological analyses confirm strong interactions with optimized charge reactivity in the adsorbent systems tested.
Findings suggest that functionalized carbon nanotubes provide a promising avenue for glyphosate detection and effective environmental remediation solutions.

Cite This Study

Silva et al. (2025) studied this question.

synapsesocial.com/papers/690fdcdaf60c54d04ea3827e https://doi.org/10.48550/arxiv.2511.03615

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