Ion interactions with the carbon nanotube surface in aqueous solutions: understanding the molecular mechanisms

Frolov, Andrey I. and Rozhin, Alex G. and Fedorov, Maxim V. (2010) Ion interactions with the carbon nanotube surface in aqueous solutions: understanding the molecular mechanisms. ChemPhysChem, 11 (12). pp. 2612-2616. ISSN 1439-4235

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Abstract

We study the molecular mechanisms of alkali halide ion interactions with the single-wall carbon nanotube surface in water by means of fully atomistic molecular dynamics simulations. We focus on the basic physical-chemical principles of ion-nanotube interactions in aqueous solutions and discuss them in light of recent experimental findings on selective ion effects on carbon nanotubes.