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dc.contributor.authorMerino-Mateo, Pabloes_ES
dc.contributor.authorŠvec, Martines_ES
dc.contributor.authorMartínez, José I.es_ES
dc.contributor.authorMutombo, Pingoes_ES
dc.contributor.authorGonzález, C.es_ES
dc.contributor.authorMartín-Gago, José A.es_ES
dc.contributor.authorAndrés, Pedro L. dees_ES
dc.contributor.authorJelinek, Paveles_ES
dc.date.accessioned2018-04-26T09:17:19Z-
dc.date.available2018-04-26T09:17:19Z-
dc.date.issued2014-12-08-
dc.identifier.citationLangmuir 31(1): 233-239 (2014)es_ES
dc.identifier.issn0743-7463-
dc.identifier.urihttp://hdl.handle.net/10261/164220-
dc.description.abstractThe hydrogen (H) dimer structures formed upon room-temperature H adsorption on single layer graphene (SLG) grown on SiC(0001) are addressed using a combined theoretical–experimental approach. Our study includes density functional theory (DFT) calculations for the full (6√3 × 6√3)R30° unit cell of the SLG/SiC(0001) substrate and atomically resolved scanning tunneling microscopy images determining simultaneously the graphene lattice and the internal structure of the H adsorbates. We show that H atoms normally group in chemisorbed coupled structures of different sizes and orientations. We make an atomic scale determination of the most stable experimental geometries, the small dimers and ellipsoid-shaped features, and we assign them to hydrogen adsorbed in para dimers and ortho dimers configuration, respectively, through comparison with the theory.es_ES
dc.description.sponsorshipP.M acknowledges financial support from a R. C. Rodes grant. The research leading to these results has received funding from the European Union Seventh Framework Program under grant agreement no. 604391 Graphene Flagship. We acknowledge financial support by the Spanish project MAT2011-26534. M.S., P.M., and P.J acknowledge the financial support of GACR project no. 14-02079S.es_ES
dc.language.isoenges_ES
dc.publisherAmerican Chemical Societyes_ES
dc.relationinfo:eu-repo/grantAgreement/EC/FP7/604391es_ES
dc.relation.isversionofPostprintes_ES
dc.rightsopenAccesses_ES
dc.titleOrtho and Para Hydrogen Dimers on G/SiC(0001): Combined STM and DFT Studyes_ES
dc.typeartículoes_ES
dc.identifier.doi10.1021/la504021x-
dc.description.peerreviewedPeer reviewedes_ES
dc.relation.publisherversionhttp://dx.doi.org/10.1021/la504021xes_ES
dc.identifier.e-issn1520-5827-
dc.contributor.funderEuropean Commissiones_ES
dc.contributor.funderMinisterio de Economía y Competitividad (España)es_ES
dc.relation.csices_ES
oprm.item.hasRevisionno ko 0 false*
dc.identifier.funderhttp://dx.doi.org/10.13039/501100003329es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100000780es_ES
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