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H-2 physisorbed on graphane

Autor
Carbonell-Coronado, C.; De Soto, F.; Cazorla, C.; Boronat, J.; Gordillo, M. C.
Tipus d'activitat
Article en revista
Revista
Journal of low temperature physics
Data de publicació
2013-06
Volum
171
Número
5-6
Pàgina inicial
619
Pàgina final
625
DOI
https://doi.org/10.1007/s10909-012-0828-8 Obrir en finestra nova
Projecte finançador
Estudio de las transiciones de fase en sistemas bosónicos de baja dimensionalidad: sólidos, líquidos y gases densos en sistemas reales (FIS2010-18356)
Fluidos y sólidos cuánticos fuertamente correlacionados (FIS2011-25275)
Repositori
http://hdl.handle.net/2117/19841 Obrir en finestra nova
URL
http://link.springer.com/content/pdf/10.1007%2Fs10909-012-0828-8.pdf Obrir en finestra nova
Resum
We study the zero-temperature phase diagrams of H-2 adsorbed on the three structures predicted for graphane (chair, boat and washboard graphane), using a diffusion Monte Carlo technique. Graphane is the hydrogenated version of graphene, in which each carbon atom changes its hybridization to sp (3) and forms a covalent bond with a hydrogen atom. Our results show that the ground state of H-2 adsorbed on all three types of graphane is a solid, similar to the structures found both for H-2 and D-2 on...
Citació
Carbonell-Coronado, C. [et al.]. H-2 physisorbed on graphane. "Journal of low temperature physics", Juny 2013, vol. 171, núm. 5-6, p. 619-625.
Paraules clau
Graphane, Molecular hydrogen, Phase transitions
Grup de recerca
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants

  • Carbonell Coronado, Carmen  (autor)
  • De Soto Borrera, Feliciano Carlos  (autor)
  • Cazorla Silva, Claudio  (autor)
  • Boronat Medico, Jordi  (autor)
  • Gordillo Bargueño, Maria Carmen  (autor)

Arxius