Zero-temperature phase diagram of D2 physisorbed on graphane
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hdl:2117/20842
Document typeArticle
Defense date2013-10-06
PublisherInstitute Of Physics Publishing Ltd
Rights accessRestricted access - publisher's policy
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 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.
ISSN0953-8984
Publisher versionhttp://iopscience.iop.org/0953-8984/25/44/445011/
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