Charge carrier density in Li-intercalated graphene

Handle URI:
http://hdl.handle.net/10754/562167
Title:
Charge carrier density in Li-intercalated graphene
Authors:
Kaloni, Thaneshwor P.; Cheng, Yingchun; Kahaly, M. Upadhyay; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Elsevier
Journal:
Chemical Physics Letters
Issue Date:
May-2012
DOI:
10.1016/j.cplett.2012.03.005
Type:
Article
ISSN:
00092614
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorKaloni, Thaneshwor P.en
dc.contributor.authorCheng, Yingchunen
dc.contributor.authorKahaly, M. Upadhyayen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2015-08-03T09:46:20Zen
dc.date.available2015-08-03T09:46:20Zen
dc.date.issued2012-05en
dc.identifier.issn00092614en
dc.identifier.doi10.1016/j.cplett.2012.03.005en
dc.identifier.urihttp://hdl.handle.net/10754/562167en
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.en
dc.publisherElsevieren
dc.titleCharge carrier density in Li-intercalated grapheneen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalChemical Physics Lettersen
kaust.authorKaloni, Thaneshwor P.en
kaust.authorCheng, Yingchunen
kaust.authorKahaly, M. Upadhyayen
kaust.authorSchwingenschlögl, Udoen
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