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

Andrey  Frolov; Alex Rozhin; Maxim V. Fedorov

doi:10.1002/cphc.201000231

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

Andrey Frolov, Alex Rozhin, Maxim V. Fedorov

Aston Institute of Photonic Technologies (AiPT)

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	2612-22616
Number of pages	5
Journal	ChemPhysChem
Volume	11
Issue number	12
DOIs	https://doi.org/10.1002/cphc.201000231
Publication status	Published - 23 Aug 2010

Keywords

molecular simulations
nanotube modeling
nanotubes
photoluminescence
specific salt effects

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10.1002/cphc.201000231

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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.",

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

Abstract

Keywords

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