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dc.contributor.authorKaloni, Thaneshwor P.
dc.contributor.authorCheng, Yingchun
dc.contributor.authorKahaly, M. Upadhyay
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2015-08-03T09:46:20Z
dc.date.available2015-08-03T09:46:20Z
dc.date.issued2012-05
dc.identifier.issn00092614
dc.identifier.doi10.1016/j.cplett.2012.03.005
dc.identifier.urihttp://hdl.handle.net/10754/562167
dc.description.abstractThe electronic structures of bulk C 6Li, Li-intercalated free-standing bilayer graphene, and Li-intercalated bilayer and trilayer graphene on SiC(0 0 0 1) are studied using density functional theory. Our estimate of Young's modulus suggests that Li-intercalation increases the intrinsic stiffness. For decreasing Li-C interaction, the Dirac point shifts to the Fermi level and the associated band splitting vanishes. For Li-intercalated bilayer graphene on SiC(0 0 0 1) the splitting at the Dirac point is tiny. It is also very small at the two Dirac points of Li-intercalated trilayer graphene on SiC(0 0 0 1). For all the systems under study, a large enhancement of the charge carrier density is achieved by Li intercalation. © 2012 Elsevier B.V. All rights reserved.
dc.publisherElsevier BV
dc.titleCharge carrier density in Li-intercalated graphene
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalChemical Physics Letters
kaust.personKaloni, Thaneshwor P.
kaust.personCheng, Yingchun
kaust.personKahaly, M. Upadhyay
kaust.personSchwingenschlögl, Udo


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