简介:Theground-stateandthermodynamicpropertiesofquantummixed-spinchainsof1/2-1/2-1-1and3/2-3/2-1-1areinvestigatedbyaquantumMonteCarlosimulationwiththeloop-clusteralgorithm.For1/2-1/2-1-1chain,wefindithastwophasesseparatedbyanenergy-gapvanishingpointintheground-state.For3/2-3/2-1-1chain,thenumericalresultsshowtwoenergy-gapvanishingpointsisolatedbydifferentphasesinitsground-state.Ourcalculationsindicatethatallthesegroundstatephasescanbeunderstoodbymeansofvalence-bond-solidpicture,andthethermodynamicbehavioratfinitetemperaturesiscontinuousasafunctionofparameterα=J2/J1.
简介:Thedipole-length,velocityandaecelerationabsorptionoscillatorstrengthsforthe1s^22p-ls^2nd(3_
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简介:A60%Fe/Al2O3catalystwaspreparedbytheco-precipitationmethod.ItwasreducedbyH2toproducemetallicFe,whichwasthensulfidedbyCS2toFe0.96SandFe3S4orphosphidedbytriphenylphosphine(PPh3)inliquidphasestoFe2PandFeP.Itwasfoundthattheironsulfides(Fe0.96SandFe3S4)exhibitedthelowactivityforthehydrodesulfurization(HDS)reactions.TheHDSactivitywasalsolowontheFe(metal)/Al2O3andFe2P/Al2O3catalystssincetheywereconvertedintoFe0.96SandFe3S4duringtheHDSreactions.Incontrast,theFeP/Al2O3wasfoundtobestableandactivefortheHDSreactions.Inparticular,FeP/Al2O3possessedsignificantlysmallerFePparticlesthanFeP/C,leadingtothesignificanthigherHDSactivityofFeP/Al2O3thanFeP/C.
简介:Liquid-phase-exfoliationtechnologywasutilizedtopreparelayeredMoS2,WS2,andMoSe2nanosheetsincyclohexylpyrrolidone.Thenonlinearopticalresponseofthesenanosheetsindispersionswasinvestigatedbyobservingspatialself-phasemodulation(SSPM)usinga488nmcontinuouswavelaserbeam.ThediffractionringpatternsofSSPMwerefoundtobedistortedalongtheverticaldirectionrightafterthelasertraversingthenanosheetdispersions.Thenonlinearrefractiveindexofthethreetransitionmetaldichalcogenidesdispersionsn2wasmeasuredtobe10-7cm2W-1,andthethird-ordernonlinearsusceptibilityχ(3)10-9esu.TherelativechangeofeffectivenonlinearrefractiveindexΔn2e∕n(2e)oftheMoS2,WS2,andMoSe2dispersionscanbemodulated0.012–0.240,0.029–0.154,and0.091–0.304,respectively,bychangingtheincidentintensities.Ourexperimentalresultsimplynovelpotentialapplicationoftwo-dimensionaltransitionmetaldichalcogenidesinnonlinearphasemodulationdevices.
简介:Temperature-dependentphotoluminescencecharacteristicsoforganic-inorganichalideperovskiteCH3NH3PbI3-xClxfilmspreparedusingatwo-stepmethodonZnO/FTOsubstrateswereinvestigated.Surfacemorphologyandabsorptioncharacteristicsofthefilmswerealsostudied.Scanningelectronmicroscopyrevealedlargecrystalsandsubstratecoverage.Theorthorhombic-to-tetragonalphasetransitiontemperaturewas140K.Thefilms’excitonbindingenergywas77.6±10.9meVandtheenergyofopticalphononswas38.8±2.5meV.TheseresultssuggestthatperovskiteCH3NH3PbI3-xClxfilmshaveexcellentoptoelectroniccharacteristicswhichfurthersuggeststheirpotentialusageinperovskitebasedoptoelectronicdevices.
简介:ThispaperstudiestheelectronicstructureandnativedefectsintransparentconductingoxidesCuScO2andCuYO2usingthefirst-principlecalculations.Sometypicalnativecopper-relatedandoxygen-relateddefects,suchasvacancy,interstitials,andantisitesintheirrelevantchargestateareconsidered.Theresultsofcalculationshowthat,CuMO2(M=Sc,Y)isimpossibletoshown-typeconductivityability.ItfindsthatcoppervacancyandoxygeninterstitialhaverelativelylowformationenergyandtheyaretherelevantdefectsinCuScO2andCuYO2.Coppervacancyisthemostefficientacceptor,andunderO-richconditionoxygenantisitealsobecomesimportantacceptorandplaysanimportantroleinp-typeconductivity.
简介:ConsideringthatKBe2BO3F2(KBBF)isanoutstandingdeepultravioletcrystalwhichcangeneratetheshortestwavelengthsinsecondharmonicgenerationandsum-frequencygeneration,wereportthedeterminationofthenonlinearopticalcoefficientsoftheKBBFcrystal.Thed11coefficientwasdeterminedtobe0.49pm/VbytheMakerfringesmethodatthewavelength1064nm,whichisinagreementwellwiththetheoreticalvalue.
简介:Theeffectofbismuth(Bi)forbothVO2+/VO2+andV3+/V2+redoxcouplesinvanadiumflowbatteries(VFBs)hasbeeninvestigatedbydirectlyintroducingBionthesurfaceofcarbonfelt(CF).TheresultsshowthatBihasnocatalyticeffectforVO2+/VO2+redoxcouple.Duringthefirstchargeprocess,BiisoxidizedtoBi3+(neverreturnbacktoBimetalinthesubsequentcycles)duetothelowstandardredoxpotentialof0.308V(vs.SHE)forBi3+/BiredoxcouplecomparedwithVO2+/VO2+redoxcoupleandBi3+exhibitno(orneglectable)electro-catalyticactivity.Additionally,therelationshipbetweenBiloadingandelectrochemicalactivityforV3+/V2+redoxcouplewasstudiedindetail.2wt%Bi-modifiedcarbonfelt(2%-BiCF)exhibitsthehighestelectrochemicalactivity.Usingitasnegativeelectrode,ahighenergyefficiency(EE)of79.0%canbeachievedatahighcurrentdensityof160mA/cm2,whichis5.5%higherthanthepristineone.Moreover,theelectrolyteutilizationratioisalsoincreasedbymorethan30%.Eventhecelloperatedat140mA/cm2forover300cycles,theEEcanreach80.9%withoutobviousfluctuationandattenuation,suggestingexcellentcatalyticactivityandelectrochemicalstabilityinVFBs.
简介:Inthiswork,theinfluenceofCO2onthestructuralvariationandcatalyticperformanceofNa2WO4/Mn/SiO2foroxidativecouplingofmethanetoethylenewasinvestigated.ThecatalystwaspreparedbyimpregnationmethodandcharacterizedbyXRD,RamanandXPStechniques.AppropriateamountofCO2inthereactantgasesenhancedtheformationofsurfacetetrahedralNa2WO4speciesandpromotedthemigrationofOinMOx,Na,Wfromthecatalystbulktosurface,whichwerefavorableforoxidativecouplingofmethane.WhenthemolarratioofCH4/O2/CO2was3/1/2,enrichedsurfacetetrahedralNa2WO4speciesandhighsurfaceconcentrationofOinMOx,Na,Wweredetected,andthenhighCH4conversionof33.1%andhighC2H4selectivityof56.2%wereobtained.WithfurtherincreaseofCO2inthereagentgases,thecontentofactivesurfacetetrahedralNa2WO4speciesandsurfaceconcentrationofOinMOx,Na,Wdecreased,whilethatofinactivespecies(MnWO4andMn2O3)increaseddramatically,leadingtolowCH4conversionandlowC2H4selectivity.ItcouldbespeculatedthatNa2WO4crystalwastransformedintoMnWO4crystalwithexcessiveCO2addedunderthereactionconditions.PretreatmentofNa2WO4/Mn/SiO2catalystbymoderateamountofCO2beforeOCMalsopromotedtheformationofNa2WO4species.
简介:Asimplemethodisappliedtocalculatingtheisotopeshifts(ISs)on5S1/2→4D3/2,5/2transitionsof87,88Sr+.FirstwehavecalculatedtheISsoflowertransitionsonaseriesofalkali-likesystemssuchasB2+,Ca+andBa+,whichareinagreementwithotherworks.ThentheISson5S1/2→4D3/2,5/2transitionsof87,88Sr+,whichareusefultostudytheSr+opticalfrequencystandard,areevaluated.