Lateral Composite Structures of Graphene/Graphane/Graphone: Electronic Confinement, Heterostructures with Tunable Band Alignment, and Magnetic State

dc.authoridDemirci, Salih/0000-0002-1272-9603
dc.authoridakturk, ethem/0000-0002-1615-7841
dc.authoridGorkan, Taylan/0000-0003-0411-3734
dc.contributor.authorDemirci, Salih
dc.contributor.authorGorkan, Taylan
dc.contributor.authorAkturk, Ethem
dc.contributor.authorCiraci, Salim
dc.date.accessioned2025-01-21T16:42:18Z
dc.date.available2025-01-21T16:42:18Z
dc.date.issued2023
dc.departmentKırıkkale Üniversitesi
dc.description.abstractGraphene can be hydrogenated fully on both sides andalso semihydrogenatedon one side to constitute graphane and graphone, respectively. Whileboth are wide band gap semiconductors, graphone also acquires a magneticground state originating from unpaired & pi;-bonds. We predict thatlateral composite structures/heterostructures can be constructed bythe patterned dehydrogenation of graphane or graphone with commensurateinterfaces, which display diverse physical properties depending ontheir constituents, interface geometry, and size. When constructedby consecutive graphane and graphene strips of very narrow width,they can attain exclusive electronic and magnetic properties in 2D,which are different from those of both parent materials. However,periodic and commensurate semiconductor-semiconductor heterostructureswith straddling band alignment and tunable band gaps can form, ifthe widths of strips with the armchair interface are wide enough toentail confinements of electronic states and hence to change the dimensionalityof the system from 2D to 1D. Depending on the type of zigzag interface,periodic heterostructures attain spin polarized straddling band alignments.Composite structures patterned on graphone can form magnetic semiconductor-semiconductorheterostructures, which have different staggered band alignments fordifferent spin polarization. Specifically, under the in-plane electricfield, a single heterostructure constructed on zigzag nanoribbonscan change its magnetic state and start to operate as a magnetic diodefor one spin direction. All of these composite structures, which allowelectronic confinement followed by a change of dimensionality, offervarious quantum structures and functionalities with potential applicationsin spintronics.
dc.description.sponsorshipTurkish Academy of Sciences; Alexander von Humboldt Foundation; TUBA; National Center for High Performance Computing of Turkey (UHeM) [5004132016]
dc.description.sponsorshipS.C. acknowledges TUBA, Turkish Academy of Sciences for the financial Support. E.A. acknowledges the Alexander von Humboldt Foundation for a Research Fellowship for Experienced Researchers. Computations were performed at the National Center for High Performance Computing of Turkey (UHeM) under Grant No. 5004132016.
dc.identifier.doi10.1021/acs.jpcc.3c04267
dc.identifier.endpage17248
dc.identifier.issn1932-7447
dc.identifier.issn1932-7455
dc.identifier.issue34
dc.identifier.scopus2-s2.0-85169036718
dc.identifier.scopusqualityQ1
dc.identifier.startpage17239
dc.identifier.urihttps://doi.org/10.1021/acs.jpcc.3c04267
dc.identifier.urihttps://hdl.handle.net/20.500.12587/25049
dc.identifier.volume127
dc.identifier.wosWOS:001051334900001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherAmer Chemical Soc
dc.relation.ispartofJournal of Physical Chemistry C
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241229
dc.titleLateral Composite Structures of Graphene/Graphane/Graphone: Electronic Confinement, Heterostructures with Tunable Band Alignment, and Magnetic State
dc.typeArticle

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