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Ion Interactions with the Carbon Nanotube Surface in Aqueous Solutions: Understanding the Molecular Mechanisms |
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| Authors: | Andrey I. Frolov Alex G. Rozhin Dr. Maxim V. Fedorov Dr. |
| Affiliation: | 1. Max Planck Institute for Mathematics in the Sciences, D 04103 Leipzig (Germany), Fax: (+49)?341‐9959‐658;2. School of Engineering & Applied Science, Aston University, Aston Triangle, Birmingham, B4 7ET (United Kingdom) |
| 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 |