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1、Letterpubs.acs.org/NanoLettEffectofWrinklesontheSurfaceAreaofGraphene:TowardtheDesignofNanoelectronics†,‡,#§,#†,‡,§,∥,†,‡ZhaoQin,MichaelTaylor,MaryHwang,KatiaBertoldi,*andMarkusJ.Buehler*†LaboratoryforAtomisticandMolecularMechanics(LAMM),DepartmentofCivilandEnvironmentalEngineering,Mas
2、sachusettsInstituteofTechnology,77MassachusettsAvenue,Room1-239,Cambridge,Massachusetts02139,UnitedStates‡CenterforComputationalEngineering,MassachusettsInstituteofTechnology,77MassachusettsAvenue,Cambridge,Massachusetts02139,UnitedStates§SchoolofEngineeringandAppliedSciences,HarvardU
3、niversity,29OxfordStreet,Cambridge,Massachusetts02138,UnitedStates∥KavliInstitute,HarvardUniversity,Cambridge,Massachusetts02138,UnitedStates*SSupportingInformationABSTRACT:Graphenehasattractedintenseattentiontotheuseinextremeapplications.However,itssmallthicknessfacilitateswrinklefor
4、mation,anditisnotclearhowsuchstructuralchangeaffectsitsarea-specificcapacitance.Herein,wecombinemoleculardynamicsandcontinuummechanics-basedsimulationstostudythechangesinsurfaceareainducedbywrinkles.Wefindthatthehighspecificsurfaceareaofgraphenecanonlybeaffectedupto2%regardlessofloadingcon
5、ditions,geometry,anddefects.KEYWORDS:Graphene,graphenewrinkling,MDsimulations,surfacearea16−18raphenerepresentsanidealtwo-dimensionalmaterialstudiedwithinthecontextofsubstratedeposition,ripplesG19,20composedofasinglelayerofatomsorganizedinainunloadedfree-standingsheets,andfree-standin
6、gsheetshexagonallatticeandconnectedbysp2in-planecarbon−carbonsubjectedtoappliedmechanicalloading.Inthelattercategory,1−6researchhasincludedexperiments,21MDsimulations,4,11,12,22bonds.Itexhibitsahighstrength(∼118GPa)andelasticmodulus(∼1TPa),7highspecificsurfacearea(∼2600m2/g),8andcontin
7、uum-basedapproaches13,21,23−27suchasfiniteandhighelectricalandthermalconductivity,makingitaperfectelementsimulationsandgrillagemodelsbasedoncontinuum28candidateasanelectrodematerialinapplicationsthatrequirebeams.However,despitethistremendousinterestinthe9,10topic,onlylimitedresearchhas
8、focus
