简介:Inordertodeepentheunderstandingoftherelationshipbetweenfundamentalproperties(including:microstructureandcomposition)andphotocatalyticperformance,fourbismuthatecompounds,including:LiBiO3,NaBiO3,KBiO3,andAgBiO3,areregardedasresearchexamplesinthepresentwork,becausetheyhaveparticularcrystalstructuresandsimilarcompositions.Usingdensityfunctionaltheorycalculations,theirstructural,electronic,andopticalpropertiesareinvestigatedandcomparedsystematically.Firstofall,thecalculatedresultsofcrystalstructuresandopticalpropertiesareinagreementwithavailablepublishedexperimentaldata.Basedonthecalculatedresults,itisfoundthatthetunneledorlayeredmicro-structuralpropertiesleadtothestrongerinteractionbetweenbismuthandoxygen,andtheweakerinteractionbetweenalkaline-earthmetaland[BiO6]octahedron,resultinginthefeatureofmulti-bandgapsinthecasesofLiBiO3,NaBiO3,andKBiO3.ThisconclusionissupportedbythecaseofAgBiO3,inwhichthefeatureofmulti-bandgapsdisappears,duetothestrongerinteractionbetweenthenoblemetaland[BiO6]octahedron.Thesepropertieshavesignificantadvantagesinthephotocatalyticperformance:absorbinglowenergyphotons,rapidlytransferringenergycarriers.Furthermore,thefeaturesofelectronicstructuresofbismuthatecompoundsarewellreflectedbytheabsorptionspectra,whichcouldbeconfirmedbyexperimentalmeasurementsinpractice.Combinedwiththecalculatedresults,itcouldbeconsideredthatthecrystalstructuresandcompositionsofthephotocatalystdeterminetheelectronicstructuresandopticalproperties,andsubsequentlydeterminethecorrespondingphotocatalyticperformance.Thus,anovelBi-basedphotocatalystdrivenbyvisible-lightcouldbedesignedbyutilizingspecificcompositionstoformfavorableelectronicstructuresorspecificmicro-structurestoformabeneficialchannelforenergycarriers.
简介:K-promotediron/carbonnanotubescomposite(i.e.,FeK-OX)waspreparedbyaredoxreactionbetweencarbonnanotubesandK_2FeO_4followedbythermaltreatmentsonapurposeastheFischer–Tropschcatalystforthedirectconversionofsyngastolowerolefins.ItscatalyticbehaviorswerecomparedwiththoseoftheothertwoFe-IMandFeK-IMcatalystspreparedbyimpregnationmethodfollowedbythermaltreatments.ThenovelFeK-OXcompositecatalystisfoundtoexhibithigherhydrocarbonselectivity,lowerolefinsselectivityandchaingrowthprobabilityaswellasbetterstability.ThecatalyststructureperformancerelationshiphasbeenestablishedusingmultipletechniquesincludingXRD,Raman,TEMandEDSelementalmapping.Inaddition,effectsofadditionalpotassiumintotheFeK-OXcompositecatalystontheFTOperformancewerealsoinvestigatedanddiscussed.Additionalpotassiumpromotersfurtherendowthecatalystswithhigheryieldoflowerolefins.Theseresultsdemonstratedthattheintroductionmethodofpromotersandironspeciesplaysacrucialroleinthedesignandfabricationofhighlyactive,selectiveandstableiron-basedcompositecatalystsfortheFTOreaction.
简介:ThegatedielectricthicknessdecreasesdramaticallywiththecontinuousscalingofMOSdevices,whichhasseriousconsequencesontheleakagecurrentandthepowerconsumptionoftheSiO2-basedMOSdevices.Hafniumdioxide(HfO2),asakindofhigh-kmaterial,arerecognizedasalternativestoSiO2forfutureadvancedgatedevicesandspaceapplications[1].Radiation-inducedeffectsonconventionalSiO2dielectricshavebeeninvestigated.Now,anenormousamountofeffortwasrequiredtoadaptthenewhigh-ksystemsforradiationhardapplication.