Ion Interactions with the Carbon Nanotube Surface in Aqueous Solutions: Understanding the Molecular Mechanisms

被引：43

作者：

Frolov, Andrey I. ^{[1
]}

Rozhin, Alex G. ^{[2
]}

Fedorov, Maxim V. ^{[1
]}

机构：

[1] Max Planck Inst Math Sci, D-04103 Leipzig, Germany

[2] Aston Univ, Sch Engn & Appl Sci, Birmingham B4 7ET, W Midlands, England

来源：

CHEMPHYSCHEM | 2010年 / 11卷 / 12期

关键词：

molecular simulations; nanotube modeling; nanotubes; photoluminescence; specific salt effects; DYNAMICS SIMULATIONS; BIOMEDICAL APPLICATIONS; WATER-STRUCTURE; HYDRATION; THERMODYNAMICS; FLUORESCENCE; DISPERSION; SOLVATION; ENERGY; LI+;

D O I：

10.1002/cphc.201000231

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：2612 / 2616

页数：5

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