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1、MolecularDesignofPhotovoltaicMaterialsforPolymerSolarCells:TowardSuitableElectronicEnergyLevelsandBroadAbsorptionYONGFANGLI*BeijingNationalLaboratoryforMolecularSciences,CASKeyLaboratoryofOrganicSolids,InstituteofChemistry,ChineseAcademyofSciences,Beijing100190,ChinaRECEIVED
2、ONSEPTEMBER21,2011CONSPECTUSulkheterojunction(BHJ)polymersolarcellsB(PSCs)sandwichablendlayerofconjugatedpolymerdonorandfullerenederivativeacceptorbetweenatransparentITOpositiveelectrodeandalowworkfunctionmetalnegativeelectrode.Incomparisonwithtraditionalinorganicsemicon-duc
3、torsolarcells,PSCsofferasimplerdevicestructure,easierfabrication,lowercost,andlight-erweight,andthesestructurescanbefabricatedintoflexibledevices.Butcurrentlythepowerconversionefficiency(PCE)ofthePSCsisnotsufficientforfuturecommercialization.Thepolymerdonorsandfullerenederiv
4、ativeacceptorsarethekeyphotovoltaicmaterialsthatwillneedtobeoptimizedforhigh-performancePSCs.InthisAccount,Idiscussthebasicrequirementsandscientificissuesinthemoleculardesignofhighefficiencyphotovoltaicmolecules.Ialsosummarizerecentprogressinelectronicenergylevelengineeringa
5、ndabsorptionspectralbroadeningofthedonorandacceptorphotovoltaicmaterialsbymyresearchgroupandothers.Forhigh-efficiencyconjugatedpolymerdonors,keyrequirementsareanarrowerenergybandgap(Eg)andbroadabsorption,relativelylower-lyingHOMO(thehighestoccupiedmolecularorbital)level,andh
6、igherholemobility.Therearethreestrategiestomeettheserequirements:DAcopolymerizationfornarrowerEgandlower-lyingHOMO,substitutionwithelectron-withdrawinggroupsforlower-lyingHOMO,andtwo-dimensionalconjugationforbroadabsorptionandhigherholemobility.Moreover,bettermainchainplana
7、rityandlesssidechainsterichindrancecouldstrengthenππstackingandincreaseholemobility.Furthermore,themolecularweightofthepolymersalsoinfluencestheirphotovoltaicperformance.Toproducehighefficiencyphotovoltaicpolymers,researchersshouldattempttoincreasemolecularweightwhilemainta
8、iningsolubility.High-efficiencyDAcopolymershavebeenobtainedbyusingbenzodit
