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

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 ionnanotube interactions in aqueous solutions and discuss them in light of recent experimental findings on selective ion effects on carbon nanotubes. © 2010 Wiley-VCH Verlag GmbH& Co. KGaA, Weinheim.