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Structure of water adsorbed on a single graphene sheet

Autor
Gordillo, M. C.; Marti, J.
Tipus d'activitat
Article en revista
Revista
Physical review B: condensed matter and materials physics
Data de publicació
2008-08
Volum
78
Pàgina inicial
075432-1
Pàgina final
075432-5
DOI
https://doi.org/10.1103/PhysRevB.78.075432 Obrir en finestra nova
URL
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.78.075432 Obrir en finestra nova
Resum
We present the result of molecular-dynamics simulations of water adsorbed on top of a single graphene layer at temperatures between 25 and 50°C. The analysis of the energy per particle and the density profiles indicate that the behavior of the adsorbed liquid is similar to the case of multiple graphene layers (graphite) with the only difference being the values of configurational energy. Other structural properties, such as stability ranges, hydrogen bond distributions, and molecular orientatio...
Grup de recerca
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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