Ion interactions with the carbon nanotube surface in aqueous solutions: understanding the molecular mechanisms.
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.
Frolov
Andrey I
AI
Max Planck Institute for Mathematics in the Sciences, D 04103 Leipzig, Germany.
Rozhin
Alex G
AG
Fedorov
Maxim V
MV