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http://hdl.handle.net/2117/12921
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| 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. |
| Títol: | Wetting and prewetting of water on top of a single sheet of hexagonal boron nitride |
| Autor: | Gordillo Bargueño, Maria Carmen  ; Martí Rabassa, Jordi |
| Data: | 6-jul-2011 |
| Tipus de document: | Article |
| 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 studied and compared to those of water on graphene. The results indicate that hydrophobicity of boron nitride is milder than that of graphene. |
| ISSN: | 1539-3755 |
| URI: | http://hdl.handle.net/2117/12921 |
| Versió de l'editor: | 10.1103/PhysRevE.84.011602 |
| Versió de l'editor: | http://link.aps.org/doi/10.1103/PhysRevE.84.011602 |
| Apareix a les col·leccions: | Altres. Enviament des de DRAC
Departament de Física i Enginyeria Nuclear. Articles de revista
SIMCON - Grup de Recerca de Simulació per Ordinador en Matèria Condensada. Articles de revista
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