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

Andrey Frolov, Alex Rozhin, Maxim V. Fedorov

Research output: Contribution to journalArticle

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.
Original languageEnglish
Pages (from-to)2612-22616
Number of pages5
JournalChemPhysChem
Volume11
Issue number12
DOIs
Publication statusPublished - 23 Aug 2010

Fingerprint

Carbon Nanotubes
carbon nanotubes
Ions
aqueous solutions
Alkali halides
alkali halides
Molecular dynamics
ions
interactions
molecular dynamics
Water
Computer simulation
water
simulation

Keywords

  • molecular simulations
  • nanotube modeling
  • nanotubes
  • photoluminescence
  • specific salt effects

Cite this

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Ion interactions with the carbon nanotube surface in aqueous solutions : understanding the molecular mechanisms. / Frolov, Andrey ; Rozhin, Alex; Fedorov, Maxim V.

In: ChemPhysChem, Vol. 11, No. 12, 23.08.2010, p. 2612-22616.

Research output: Contribution to journalArticle

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