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1、AtomicandElectronicStructureofSiDanglingBondsinQuasi-freeStandingMonolayerGraphene111222YuyaMurata,TommasoCavallucci,ValentinaTozzini,NikoPavliček,LeoGross,GerhardMeyer,33,*11,†MakotoTakamura,HirokiHibino,FabioBeltram,andStefanHeun1NEST,IstitutoNanoscienze-CNRandScuolaNormaleSuperio
2、re,PiazzaSanSilvestro12,56127Pisa,Italy2IBMResearch-Zurich,Säumerstrasse4,8803Rüschlikon,Switzerland3NTTBasicResearchLaboratories,3-1MorinosatoWakamiya,Atsugi,Kanagawa243-0198,JapanABSTRACTSidanglingbondswithoutHterminationattheinterfaceofquasi-freestandingmonolayergraphene(QFMLG)ar
3、eknownscatteringcentersthatcanseverelyaffectcarriermobility.Inthisreport,westudytheatomicandelectronicstructureofSidanglingbondsinQFMLGusinglow-temperaturescanningtunnelingmicroscopy/spectroscopy(STM/STS),atomicforcemicroscopy(AFM),anddensityfunctionaltheory(DFT)calculations.Twotype
4、sofdefectswithdifferentcontrastwereobservedonaflatterracebySTMandAFM.TheirSTMcontrastvarieswithbiasvoltage.InSTS,theyshowedcharacteristicpeaksatdifferentenergies,1.1and1.4eV.ComparisonwithDFTcalculationsindicatesthattheycorrespondtoclustersof3and4Sidanglingbonds,respectively.Therele
5、vanceoftheseresultsfortheoptimizationofgraphenesynthesisisdiscussed.Keywords:quasi-freestandingmonolayergraphene,hydrogenintercalation,carriermobility,scanningtunnelingmicroscopy,scanningtunnelingspectroscopy,atomicforcemicroscopy,densityfunctionaltheory*presentaddress:KwanseiGakuin
6、University,2-1Gakuen,Sanda,Hyogo669-1337,Japan†correspondingauthor.e-mail:stefan.heun@nano.cnr.it1Graphene,atwo-dimensionalsheetofcarbonatoms,isattractingmuchinterestinhigh-speedelectronicsapplicationsowingtoitshighcarriermobility.[1]Thelatter,however,canbeseverelyreducedbyscatterin
7、gcentersintroducedbyitssupportingsubstrate,andthisstimulatesinvestigationsfortheestablishmentofsynthesismethodsthatminimizegrapheneinteractionwiththesubstrate.Graphitizationofasiliconcarbide(SiC)surfaceispromisingforelectronicapplications,sincegrapheneisgrowndirectlyonaninsulatingsu
8、bstratewithnotransf