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cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2025
Adsorption Behavior of Greenhouse Gases on Carbon Nanobelts: A Semi-Empirical Tight-Binding Approach for Environmental Application
C. Aguiar, I. Camps
This research investigates the adsorption characteristics of carbon nanobelts (CNB) and Mobius carbon nanobelts (MCNB) interacting with various greenhouse gases, including NH3, CO2…
cond-mat.mtrl-sci2024
Are boron-nitride nanobelts capable to capture greenhouse gases?
C. Aguiar, I. Camps
Why is the question in the title pertinent? Toxic gases, which are detrimental to both human health and the environment, have been released in greater quantities as a result of ind…