Modeling electronic properties and quantum transport indoped and defective graphene

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1、SolidStateCommunications175-176(2013)90–100ContentslistsavailableatScienceDirectSolidStateCommunicationsjournalhomepage:www.elsevier.com/locate/sscModelingelectronicpropertiesandquantumtransportindopedanddefectivegraphenenA.R.Botello-Méndez,A.Lherbier,J.-

2、C.CharlierUniversitécatholiquedeLouvain(UCL),InstituteofCondensedMatterandNanosciences(IMCN),Chemindesétoiles8,1348Louvain-la-Neuve,BelgiumarticleinfoabstractArticlehistory:Theoutstandingtransportpropertiesofgraphenedrasticallydependonthedetailsofitsatomi

3、cReceived24April2013structure.Thus,modifyingthecarbonhexagonalnetworkattheatomiclevelintheformofpointReceivedinrevisedformdefects(chemicaldopants,structuralmodifications)orextendeddefects(grainboundaries,extended23August2013linesofdefects)isofparamountimpo

4、rtanceforthecompleteunderstandingofexperimentaltransportAccepted26August2013measurementson“real”graphenesamples.Furthermore,itiscrucialtodeeplyscrutinizetheeffectofaCommunicatedbyToshiakiEnokispecificdefectontheelectronicstructureofgraphene,becausecontroll

5、eddefectintroductionmaybeAvailableonline8September2013usedtotunethetransportpropertiesofgrapheneinadesireddirectionforspecificapplications.InthisKeywords:review,thelandscapeofdefectsandtheirimportanceinboththeelectronicstructureandthetransportA.Graphenepro

6、pertiesofgraphenearepresentedusingabinitioandtight-bindingsimulations.D.Electronicstructure&2013ElsevierLtd.Allrightsreserved.D.ElectronictransportE.Numericalsimulations1.IntroductionInthiswork,wepresentageneraloverviewoftheeffectthatdifferentkindsofin-pl

7、anedefectshaveontheelectronicand2Thehistoryofthestudyofdefectsinspcarbon-basedsystemstransportpropertiesofgrapheneusingstate-of-the-artsimula-isasrichandasoldastheelucidationofthecrystalstructureoftions.Theobjectiveistopresentageneralpictureoftheinforma-g

8、raphiteinthefirstdecadesofthe20thcentury[1–4].Itbegantiongatheredfrompresentstandardmodelingtechniqueswhichwiththesynthesisofdifferentstackingordersandrandomstackingareconsideredrelevantforapplicationswithinaframewor