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

Max Planck Institute for Mathematics in the Sciences

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

41 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 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

Access to Document

10.1002/cphc.201000231

Cite this

@article{f753823a10684b4497bc72ecdbb61d63,

title = "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 ion–nanotube interactions in aqueous solutions and discuss them in light of recent experimental findings on selective ion effects on carbon nanotubes.",

keywords = "molecular simulations, nanotube modeling, nanotubes, photoluminescence, specific salt effects",

author = "Andrey Frolov and Alex Rozhin and Fedorov, {Maxim V.}",

year = "2010",

month = aug,

day = "23",

doi = "10.1002/cphc.201000231",

language = "English",

volume = "11",

pages = "2612--22616",

journal = "ChemPhysChem",

issn = "1439-4235",

publisher = "Wiley",

number = "12",

}

TY - JOUR

T1 - Ion interactions with the carbon nanotube surface in aqueous solutions

T2 - understanding the molecular mechanisms

AU - Frolov, Andrey

AU - Rozhin, Alex

AU - Fedorov, Maxim V.

PY - 2010/8/23

Y1 - 2010/8/23

N2 - 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.

AB - 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.

KW - molecular simulations

KW - nanotube modeling

KW - nanotubes

KW - photoluminescence

KW - specific salt effects

UR - http://www.scopus.com/inward/record.url?scp=77955882186&partnerID=8YFLogxK

U2 - 10.1002/cphc.201000231

DO - 10.1002/cphc.201000231

M3 - Article

SN - 1439-4235

VL - 11

SP - 2612

EP - 22616

JO - ChemPhysChem

JF - ChemPhysChem

IS - 12

ER -

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

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this