Abstract:The adsorption of the N-2-(4-Amine-1,6-dihydro-1-methyl-5-nitroso 6-oxopirimidinil)-tris-(2aminoethyl) amine (AMNTRENH) over the carbon nanotube surface was studied in two different pH values. AMNTRENH was characterized through Langmuir isotherms for adsorption and dissociation. Electronic structure calculations of the interaction between the nanotube and AMNTRENH were carried out using several DFT functionals, including B3LYP, B97XD, B3PW91 and the semi-empirical method PM6.
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