The environmental effect on the radial breathing mode of carbon nanotubes in water

被引:42
作者
Longhurst, M. J. [1 ]
Quirke, N. [1 ]
机构
[1] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AY, England
基金
英国工程与自然科学研究理事会;
关键词
D O I
10.1063/1.2205852
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 investigate, using molecular dynamics, the effect on the radial breathing mode (RBM) frequency of immersion in water for a range of single-walled carbon nanotubes. We find that nanotube-water interactions are responsible for an upshift in the RBM frequency of the order of 4-10 wave numbers. The upshift is comprised of two components: increased hydrostatic pressure on the nanotube due to curvature effects, and the dynamic coupling of the RBM with its solvation shell. In contrast to much of the current literature, we find that the latter of the two effects is dominant. This could serve as an innovative tool for determining the interaction potential between nanotubes/graphitic surfaces and fluids. (c) 2006 American Institute of Physics.
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页数:8
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