Now showing items 1-2 of 2

    • H-2 physisorbed on graphane 

      Carbonell Coronado, Carmen; De Soto Borrera, Feliciano Carlos; Cazorla Silva, Claudio; Boronat Medico, Jordi; Gordillo Bargueño, Maria Carmen (2013-06)
      Article
      Open Access
      We study the zero-temperature phase diagrams of H2 adsorbed on the three structures predicted for graphane (chair, boat and washboard graphane), using a diffusion Monte Carlo technique. Graphane is the hydrogenated version ...
    • Zero-temperature phase diagram of D2 physisorbed on graphane 

      Carbonell Coronado, Carmen; De Soto Borrera, Feliciano Carlos; Cazorla Silva, Claudio; Boronat Medico, Jordi; Gordillo Bargueño, Maria Carmen (Institute Of Physics Publishing Ltd, 2013-10-06)
      Article
      Restricted access - publisher's policy
      We determined the zero-temperature phase diagram of D2 physisorbed on graphane using the diffusion Monte Carlo method. The substrate used was C-graphane, an allotropic form of the compound that has been experimentally ...