| Títol: | Water on graphene surfaces |
| Autor: | Gordillo Bargueño, Maria Carmen
Martí Rabassa, Jordi |
| Altres autors/autores: | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
| Editorial: | Institute Of Physics Publishing Ltd |
| Matèries: | Àrees temàtiques de la UPC::Física
Graphene
Molecular dynamics
Dinàmica molecular |
| Tipus de document: | Article |
| Descripció: | In this paper, we summarize the main results obtained in our group about the behavior of water confined inside or close to different graphene surfaces by means of molecular dynamics simulations. These include the inside and outside of carbon nanotubes, and the confinement inside a slit pore or a single graphene sheet. We paid special attention to some thermodynamical (binding energies), structural (hydrogen-bond distributions) and dynamic (infrared spectra) properties, and their comparison to their bulk counterparts. |
| Altres identificadors i accés: | Gordillo, C.; Martí, J. Water on graphene surfaces. "Journal of Physics: Condensed Matter", 21 Juny 2010, vol. 22, p. 284111-1-284111-8.
0953-8984
http://hdl.handle.net/2117/9784
10.1088/0953-8984/22/28/284111 |
| Disponible al dipòsit: | E-prints UPC
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