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

Andrey I. Frolov, Maxim V. Fedorov, Alex G. Rozhin

Research output: Contribution to journalArticlepeer-review

39 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)2612-2616
Number of pages5
JournalChemPhysChem
Volume11
Issue number12
DOIs
Publication statusPublished - 2010
Externally publishedYes

Keywords

  • Molecular simulations
  • Nanotube modeling
  • Nanotubes
  • Photoluminescence
  • Specific salt effects

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