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dc.contributor.authorGordillo, M.C. 
dc.contributor.authorBoronat, J.
dc.date.accessioned2014-06-09T16:52:28Z
dc.date.available2014-06-09T16:52:28Z
dc.date.issued2010-04
dc.identifier.citationPhysical Review B - Condensed Matter and Materials Physics, 2010;81(15)
dc.identifier.issn1098-0121
dc.identifier.urihttp://hdl.handle.net/10433/909
dc.description.abstractThe 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 H4e, the ground state of molecular hydrogen is a 3¿×3¿ commensurate structure, followed, upon a pressure increase, by an incommensurate triangular solid. A striped phase of intermediate density was also considered and found lying on top of the equilibrium curve separating both commensurate and incommensurate solids.
dc.description.sponsorshipUniversidad Pablo de Olavide. Departamento de Sistemas Físicos, Químicos y Naturales
dc.format.mimetypeapplication/pdf
dc.language.isoen
dc.publisherAmerican Physical Society
dc.relation.publisherversionhttp://dx.doi.org/10.1103/PhysRevB.81.155435
dc.rightsAmerican Physical Society
dc.subjectGraphene
dc.subjectMonte Carlo simulations
dc.titlePhase diagram of H2 adsorbed on graphene
dc.typeinfo:eu-repo/semantics/article
dc.description.versionVersión del editor
dc.rights.accessRightsopenAccesses_ES


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