学科分类
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7 个结果
  • 简介:对于Rn中充分光滑的凸体,通过欧式单位球面上的迷向测度,刻画了在T∈SL(n)下Mp(TK)和M*p(TK)的最小值问题.同时也得到了Mp(K)M*p(K)取得最小值的条件.

  • 标签: 极值问题 迷向测度 Mp(K)
  • 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.

  • 标签: 电子结构 光催化剂 光催化性能 弱相互作用 计算结果 NA
  • 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.

  • 标签: 碳纳米管复合材料 复合催化剂 低碳烯烃 合成制备 铁基 钾基
  • 简介:ThegatedielectricthicknessdecreasesdramaticallywiththecontinuousscalingofMOSdevices,whichhasseriousconsequencesontheleakagecurrentandthepowerconsumptionoftheSiO2-basedMOSdevices.Hafniumdioxide(HfO2),asakindofhigh-kmaterial,arerecognizedasalternativestoSiO2forfutureadvancedgatedevicesandspaceapplications[1].Radiation-inducedeffectsonconventionalSiO2dielectricshavebeeninvestigated.Now,anenormousamountofeffortwasrequiredtoadaptthenewhigh-ksystemsforradiationhardapplication.

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  • 简介:采用UMP2/6-311+G(3df)方法研究了一系列化合物M_(n+1)F_n(n=1,2;M=Na,K)体系的几何构型及非线性光学性质(NLO).结果表明:这些体系均为超价化合物,均拥有较大的第一超极化率(β_0).尤其是Na_3F_2体系中结构2c的β_0值为29.16×10~(-49)C~3·m~3·J~(-2),是已知超价化合物Li_3F_2的2c结构的β_0值2.22×10~(-49)C~3·m~3·J~(-2)的13.1倍.

  • 标签: 从头算 超价化合物 非线性光学性质