title: Zero-temperature phase diagram of D₂ physisorbed on graphane.
abstract: 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 obtained through hydrogenation of graphene. We found that the ground state is the δ phase, a commensurate structure observed experimentally when D₂ is adsorbed on graphite, and not the registered √3 x √3 structure characteristic of H₂ on the same substrate.
authors.forename: C
authors.initials: C
authors.lastname: Carbonell-Coronado
authors.forename: F
authors.initials: F
authors.lastname: De Soto
authors.forename: C
authors.initials: C
authors.lastname: Cazorla
authors.forename: J
authors.initials: J
authors.lastname: Boronat
authors.forename: M C
authors.initials: MC
authors.lastname: Gordillo