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1、ResearchArticlepubs.acs.org/acscombsciCombinatorialScreeningofHighlyActivePdBinaryCatalystsforElectrochemicalOxygenReductionKiRakLee,†YousungJung,*,‡andSeongIhlWoo*,†,‡†DepartmentofChemicalandBiomolecularEngineering(BK21GraduateProgram)&CenterforUltramicrochemicalProcessSystems(CUPS),KAIST,D
2、aejeon305-701,RepublicofKorea‡GraduateSchoolofEEWS,DepartmentofChemistry,andKIforNanocentury,KAIST,Daejeon305-701,RepublicofKoreaABSTRACT:Electro-catalystsomittingplatinumareofinteresttoreducethecostoffuelcells.Thedevelopmentofnon-Ptalloysforthispurposewouldrequirealargenumberofexperiments.P
3、alladium-basedbimetallicelectro-catalystsusingeightdifferentmetalswerecomputationallyevaluatedfortheoxygenreductionreaction(ORR)andweremadeandtestedinacidicmediausingcombinatorialmethods.APd−Coalloyshowedtheclosestoxygenadsorptionenergytoplatinuminsimpletheoreticalmodelcalculations,suggestin
4、gthehighestORRactivity.Thispredictionwasconfirmedexperimentally,suggestingthatthesingleparameterofoxygenadsorptionenergycanbeausefulguidetodevelopingnon-Ptoxygenreductioncatalystsinthefuture.KEYWORDS:thermodynamicguideline,combinatorialresearch,oxygenreductionreaction,fuelcells,non-Ptcatalys
5、ts1.INTRODUCTIONTheneedforcheap,abundant,andhighlyactiveelectro-catalyticoxygenreductionmaterialstosubstituteforPtinpolymerelectrolytemembranefuelcells(PEMFCs)hasbeenachallengingareaofresearch,wheremanyoftheimprovedcatalystsreportedintheliteraturearemainlyplatinum-basedmaterialsthatarestillc
6、ostly.SomebinaryPt−M(M=metal)catalystshavebeenshowntohavegreateroxygenreductionreaction(ORR)activityinacidmediathanpurePt.1−3Twomechanismshavebeenproposedtoexplaintheenhancedcatalyticactivitiesofbimetallicsurfaces.4,5Oneisadirectbifunctionalmechanismwherethetwometalsplayseparatebutsynergetic
7、rolesintheoverallcatalysiscycle.Forexample,onemetalmaybeusedforeasyadsorptionofO2andtheothermetalisusedforitschemicaltransformationintowater.Theotherisanindirectmechanism,inwhichthesecondmetalinanalloyalterstheelectronicstructureoftheprimarymetalto
