Zero-temperature phase diagram of D2 physisorbed on graphane
PublisherInstitute Of Physics Publishing Ltd
Rights accessRestricted 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 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 structure characteristic of H2 on the same substrate.
CitationCarbonell-Coronado, C. [et al.]. Zero-temperature phase diagram of D2 physisorbed on graphane. "Journal of physics: condensed matter", 06 Octubre 2013, vol. 25, núm. 44, p. 1-6.