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dc.contributor.authorLee, Joo-Hyoung
dc.contributor.authorGrossman, Jeffrey C.
dc.date.accessioned2012-03-28T14:10:54Z
dc.date.available2012-03-28T14:10:54Z
dc.date.issued2011-09
dc.date.submitted2011-08
dc.identifier.issn1098-0121
dc.identifier.urihttp://hdl.handle.net/1721.1/69872
dc.description.abstractThe electronic structure of graphene-graphane superlattices with armchair interfaces is investigated with first-principles density-functional theory. By separately varying the widths, we find that the energy gap Eg is inversely proportional to the width of the graphene strip and that the gap increases as the hydrogenated strip becomes wider due to the enhanced confinement effect. It is further demonstrated that, unlike other graphene nanostructures, the superlattices exhibit both direct and indirect band gaps without external perturbations. This peculiarity in the nature of Eg originates from the different connection structures of the symmetrized wave function at the boundary between adjacent unit cells due to the reflection symmetry of the superlattices. These findings suggest that the optical as well as electronic properties of graphene superlattices can be controlled through selective chemical functionalization.en_US
dc.description.sponsorshipMassachusetts Institute of Technology (Energy Initiative seed grant program)en_US
dc.language.isoen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.isversionofhttp://dx.doi.org/10.1103/PhysRevB.84.113413en_US
dc.rightsArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.en_US
dc.sourceAPSen_US
dc.titleEnergy gap of Kronig-Penney-type hydrogenated graphene superlatticesen_US
dc.typeArticleen_US
dc.identifier.citationLee, Joo-Hyoung, and Jeffrey Grossman. “Energy Gap of Kronig-Penney-type Hydrogenated Graphene Superlattices.” Physical Review B 84.11 (2011): [4 pages]. ©2011 American Physical Society.en_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Materials Science and Engineeringen_US
dc.contributor.approverGrossman, Jeffrey C.
dc.contributor.mitauthorLee, Joo-Hyoung
dc.contributor.mitauthorGrossman, Jeffrey C.
dc.relation.journalPhysical Review Ben_US
dc.eprint.versionFinal published versionen_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/PeerRevieweden_US
dspace.orderedauthorsLee, Joo-Hyoung; Grossman, Jeffreyen
dc.identifier.orcidhttps://orcid.org/0000-0003-1281-2359
mit.licensePUBLISHER_POLICYen_US


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