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1、CurrentAppliedPhysics12(2012)1611e1614ContentslistsavailableatSciVerseScienceDirectCurrentAppliedPhysicsjournalhomepage:www.elsevier.com/locate/capControllabletuningoftheelectronictransportinpre-designedgraphenenanoribbona,c,1a,*,1bacHuiZeng,JunZhao,JianweiWei,Daha
2、iXu,J.-P.LeburtonaCollegeofPhysicalScienceandTechnology,YangtzeUniversity,NanhuanRoad1,Jingzhou,Hubei,434023,ChinabCollegeofOptoelectronicInformation,ChongqingUniversityofTechnology,Chongqing,400054,ChinacBeckmanInstitute,UniversityofIllinoisatUrbana-Champaign,Urba
3、na,IL61801,USAarticleinfoabstractArticlehistory:WemakeuseofabinitiodensityfunctionaltheorycalculationtoexploretheelectronicandtransportReceived15February2012propertiesofzigzag-edgedgraphenenanoribbon(ZGNR)withpeculiardesignedelectronictransportReceivedinrevisedform
4、channelsbytailoringtheatomicconfigurationofthenanostructure.Tailoringtheatomicstructurehas3May2012significantinfluencesontheelectronictransportofthedefectivenanostructure,andeventuallytheAccepted17May2012metal-semiconductingtransitionareidentifiedwiththeincreasingnumbe
5、rofmissingatoms.OurresultsAvailableonline29May2012demonstratethatpre-designedgraphenenanoribbonbyselectivetailoringwithhighprecisionisexpectedtobeservedasthebasiccomponentfornanoelectronicdevice.Keywords:Ó2012ElsevierB.V.Allrightsreserved.GraphenenanoribbonDensityf
6、unctionaltheoryElectronicstructureElectronictransport1.Introductionlocalizedspin-polarizedstatescharacter[11].Morerecently,F.Munoz-Rojasetal.proposedthatafinitezigzaggrapheneribbonGraphene,aperfecttwo-dimensionalmaterialconsistingofbridgingtwometallicgrapheneelectro
7、desfeaturing100asingleatomicplaneofcarbonatoms[1],hasattractedconsider-percentagemagnetoresistance[12].Therearestillmanyattemptsableamountsofboththeoreticalandexperimentalstudiesowingtoaccesscomponentofmoleculardevicebythethinner1Dcarbontoitsnovelelectronicproperti
8、es[2],suchasballistictransport[3]chain[13e15].andquantumHalleffects[4].Itsexcellenttransportproperties,Tomakethegraphene-basednanodevicetobereali
