Water on the outside of carbon nanotube bundles
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 o...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2003 |
| País: | España |
| Institución: | Universidad Pablo de Olavide (UPO) |
| Repositorio: | RIO. Repositorio Institucional Olavide |
| Idioma: | inglés |
| OAI Identifier: | oai:rio.upo.es:10433/921 |
| Acceso en línea: | http://hdl.handle.net/10433/921 |
| Access Level: | acceso abierto |
| Palabra clave: | Carbon nanotubes Water |
| Sumario: | 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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