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Water on graphene surfaces

Autor
Gordillo, C.; Marti, J.
Tipus d'activitat
Article en revista
Revista
Journal of physics: condensed matter
Data de publicació
2010-06-21
Volum
22
Pàgina inicial
284111-1
Pàgina final
284111-8
DOI
https://doi.org/10.1088/0953-8984/22/28/284111 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/9784 Obrir en finestra nova
URL
http://iopscience.iop.org/0953-8984/22/28/284111/pdf/0953-8984_22_28_284111.pdf Obrir en finestra nova
Resum
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 th...
Citació
Gordillo, C.; Martí, J. Water on graphene surfaces. "Journal of Physics: Condensed Matter", 21 Juny 2010, vol. 22, p. 284111-1-284111-8.
Grup de recerca
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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