Water on the outside of carbon nanotube bundles

M. C. Gordillo and J. Martí
Phys. Rev. B 67, 205425 – Published 30 May 2003
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Abstract

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.

  • Received 4 February 2003

DOI:https://doi.org/10.1103/PhysRevB.67.205425

©2003 American Physical Society

Authors & Affiliations

M. C. Gordillo*

  • Departamento de Ciencias Ambientales, Facultad de Ciencias Experimentales, Universidad Pablo de Olavide, Carretera de Utrera km 1, 41013 Sevilla, Spain

J. Martí

  • Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, B5-206 Campus Nord UPC, 08034 Barcelona, Catalonia, Spain

  • *Electronic address: cgorbar@dex.upo.es
  • Electronic address: jordi.marti@upc.es

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Issue

Vol. 67, Iss. 20 — 15 May 2003

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