Water on the outside of carbon nanotube bundles -: art. no. 205425

被引：42

作者：

Gordillo, MC

Martí, J

机构：

[1] Univ Pablo Olavide, Dept Ciencias Ambientales, Fac Ciencias Expt, Seville 41013, Spain

[2] Univ Politecn Cataluna, Dept Fis & Engn Nucl, Barcelona 08034, Catalonia, Spain

来源：

PHYSICAL REVIEW B | 2003年 / 67卷 / 20期

关键词：

D O I：

10.1103/PhysRevB.67.205425

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Molecular-dynamics simulations of water on the outer surface of a bundle of carbon nanotubes are reported. We observed a first-order phase transition from a low-density regime in which the water molecules are confined in the grooves between tubes and a high-density one, characterized by adsorption of water on all the surface exposed. Both phases could be experimentally detected by the differences in the locations of the main peaks of their infrared spectra.

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