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Water on the outside of carbon nanotube bundles

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Water on the outside of carbon nanotube bundles.pdf (46.22Kb)
URI
http://hdl.handle.net/10433/921
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Authorship
Gordillo, M.C.Autoridad UPO Orcid Dialnet Scopus; Marti, J.
Palabras clave
Carbon nanotubes
Water
Publication date
2003-05
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.
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