Ara es mostren els items 12-24 de 24

    • Phase diagram of H-2 adsorbed on graphene 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (2010-04-15)
      Article
      Accés obert
      The phase diagram of the first layer of H2 adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo simulations. We have found that, as in the case of 4He, the ground ...
    • Phase diagrams of He-4 on flat and curved environments 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (2013-06)
      Article
      Accés obert
      By means of diffusion Monte Carlo calculations, we obtained the phase diagrams of a first and second layer of 4He on graphene and on the outside of different isolated armchair carbon nanotubes with radii in the range 3.42 ...
    • Phases of 4He and H2 adsorbed on a single carbon nanotube 

      Gordillo Bargueño, Maria Carmen; Rodríguez García, R.; Boronat Medico, Jordi (American Physical Society (APS), 2023-05-22)
      Article
      Accés restringit per política de l'editorial
      Using a diffusion Monte Carlo technique, we calculated the phase diagrams of 4He and H2 adsorbed on a single (5,5) carbon nanotube, one of the narrowest that can be obtained experimentally. For a single monolayer, when the ...
    • Phases of He 4 and H2 adsorbed on doped graphene 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (American Physical Society (APS), 2023-10-01)
      Article
      Accés restringit per política de l'editorial
      The influence of attractive boron impurities, embedded on a graphene sheet, on the phase diagrams of 4He and H2 adsorbed on top was studied using the diffusion Monte Carlo method. The doping of graphene was made by ...
    • Second layer of H2 and D2 adsorbed on graphene 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (2013-04-03)
      Article
      Accés obert
      We report diffusion Monte Carlo calculations on the phase diagrams of para-H2 and ortho-D2 adsorbed on top of a first layer of the same substances on graphene. We found that the ground state of the second layer is a ...
    • Size effects on water adsorbed on hydrophobic probes at the nanometric scale 

      Calero Borrallo, Carles; Gordillo Bargueño, Maria Carmen; Martí Rabassa, Jordi (2013-06-03)
      Article
      Accés obert
      Molecular dynamics simulations of liquid water at ambient conditions, adsorbed at the external walls of (n,n) single-walled armchair carbon nanotubes have been performed for n = 5, 9, 12. The comparison with the case of ...
    • Superfluid and supersolid phases of He-4 on the second layer of graphite 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (American Institute of Physics (AIP), 2020-05-22)
      Article
      Accés obert
      We revisited the phase diagram of the second layer of 4He on top of graphite using quantum Monte Carlo methods. Our aim was to explore the existence of the novel phases suggested recently in experimental works, and determine ...
    • Supersolidity in quantum films adsorbed on graphene and graphite 

      Gordillo Bargueño, Maria Carmen; Cazorla, C.; Boronat Medico, Jordi (2011-03-17)
      Article
      Accés obert
      Using quantum Monte Carlo we have studied the superfluid density of the first layer of 4He and H2 adsorbed on graphene and graphite. Our main focus has been on the equilibrium ground state of the system, which corresponds ...
    • Supersolidity in the second layer of para-H2 adsorbed on graphite 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (American Physical Society (APS), 2022-03-03)
      Article
      Accés restringit per política de l'editorial
      We calculated the phase diagram of the second layer of para-H2 adsorbed on graphite using quantum Monte Carlo methods. The second layer shows an incommensurate triangular crystal structure. By using a symmetric wave function, ...
    • Water on graphene surfaces 

      Gordillo Bargueño, Maria Carmen; Martí Rabassa, Jordi (Institute Of Physics Publishing Ltd, 2010-06-21)
      Article
      Accés obert
      In this paper, we summarize the main results obtained in our group about the behavior of water confined inside or close to different graphene surfaces by means of molecular dynamics simulations. These include the inside ...
    • Wetting and prewetting of water on top of a single sheet of hexagonal boron nitride 

      Gordillo Bargueño, Maria Carmen; Martí Rabassa, Jordi (2011-07-06)
      Article
      Accés obert
      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, ...
    • 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
      Accés restringit per política de l'editorial
      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 ...
    • Zero-temperature phase diagram of the second layer of 4He adsorbed on graphene 

      Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (2012-05-25)
      Article
      Accés obert
      The phase diagram at zero temperature of 4He adsorbed on a helium incommensurate triangular solid on top of a single graphene sheet has been obtained using the diffusion Monte Carlo method. We have found that, in accordance ...