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Wetting and prewetting of water on top of a single sheet of hexagonal boron nitride

Autor
Gordillo, C.; Marti, J.
Tipus d'activitat
Article en revista
Revista
Physical review E: statistical, nonlinear, and soft matter physics
Data de publicació
2011-07-06
Volum
84
Número
1
Pàgina inicial
011602-1
Pàgina final
011602-5
DOI
https://doi.org/10.1103/PhysRevE.84.011602 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/12921 Obrir en finestra nova
URL
http://link.aps.org/doi/10.1103/PhysRevE.84.011602 Obrir en finestra nova
Resum
Wetting of a single hexagonal boron nitride sheet by liquid water has been investigated by molecular dynamics simulations within a temperature range between 278 and 373 K. The wetting temperature was found to be ~310 K, while the onset of prewetting happens around the much higher temperature of 354 K. The static (hydrogen-bond populations, density profiles, energy per molecule) and dynamic (diffusion coefficients) properties of water in the stable phases in this temperature range were also studi...
Citació
Gordillo, C.; Martí, J. Wetting and prewetting of water on top of a single sheet of hexagonal boron nitride. "Physical review E: statistical, nonlinear, and soft matter physics", 06 Juliol 2011, vol. 84, núm. 1, p. 011602-1-011602-5.
Grup de recerca
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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