期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 118, 期 23, 页码 6234-6240出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp502798e
关键词
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资金
- Danish National Research Foundation
- Futaba Electronics Memorial Foundation
- Promotion of Ion Engineering
- Murata Science Foundation
We report a combined experimental (X-ray diffraction) and theoretical (molecular dynamics, hybrid density functional theory) study of 1-ethyl-3-methylimidazolium chloride, [C2C1MIM][Cl], inside carbon nanotubes (CNTs). We show that despite its huge viscosity [C2C1MIM][Cl] readily penetrates into 1-3 nm wide CNTs at slightly elevated temperatures (323-363 K). Molecular simulations were used to assign atom-atom peaks. Experimental and simulated structures of RTIL inside CNT and in bulk phase are in good agreement. We emphasize a special role of the CNT-chloride interactions in the successful adsorption of [C2C1MIM][Cl] on the inner sidewalls of 1-3 nm carbon nanotubes.
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