简介：TheeffectsofSO2,SO3ondenovosynthesisofpolychlorinateddibenzo-p-dioxins(PCDDs)anddibenzofurans(PCDFs)werestudiedusingmodelflyashesincorporatingcopperoxideandactivatedcarbon.ItwasfoundthattheinhibitiveeffectofSO2onPCDD/FsformationissimilartothatofSO3.Toinvestigatetheinhibitionmechanism,CuSO4formationsfrombothCuOandCuCl2wereexamined.TheabilityofSO3toconvertCuCl2andCuOonasilicasupportintosulfateismuchstrongerthanthatofSO2.However,replacingsilicabyactivatedcarbonleadstoamuchhighconversionofCuCl2toCuSO4inthepresenceofSO2.ThepromotionbyactivatedcarbonisexplainedbythereductionofCuCl2toCu2Cl2andtheeventualconversionofCu2Cl2intoCuSO4isthemaininhibitionmechanismofSO2ondenovosynthesisofPCDD/Fs.

简介：Weperformfirst-principlecalculationsforthestudyoftheorthorhombicRb2Cd2(SO4)3structure.Electronicenergybands,totalandpartialdensitiesofstatesarereportedandanalysed.Itisfoundthatoxygenatomic2pelectronsstronglyhybridizewithRb/orCd4dandS2pstates,resultingintwo-typeionicgroupswithweakcouplings.Itisshownthatmacroscopicdomainwallsoriginatefromsuchweak-couplingionicgroups,arisingatthecellboundaries.Theasymmetriccationbonds(Rb-OandCd-O)andthesubsequentrotationsoftheS04tetrahedracanleadtothedrivingforceoftheferroelectricbehaviour.Thepredictedpyroelectriccurrenteffectsareobservedexperimentallyintheferroelectricphase.

简介：氧化物PbMn(SO4)的磁性2由通过SO4tetrahedra与对方一起连接了的MnO6octahedra组成了，很好在实验被学习。在这篇论文，我们探索了它的有趣电子并且有第一原则的计算的磁性。也就是，我们Mn离子高有的所有旋转的结果表演说S=5/2，并且在NN和NNN之间的磁性的couplings是antiferromagnetic，它与试验性的结果同意很好。而且，吃惊在NN和NNN之间的相互作用最优地与扩大H被解释的旋转交换结果

简介：APt-MoO3/Ccatalyst,aimedtoeliminatetheharmfuleffectofsulfurdioxide（SCb）ontheperformanceofPtnanoparticles（NPs）forcatalysisofoxygenreductionreaction（ORR）inprotonexchangemembranefuelcells（PEMFC）,isdevelopedandcharacterizedbyTEM,XRDandXPS.TheresultsrevealthatPt-MoO3/Ccatalystexhibitsnotonlyahighercatalyticactivity,butalsoabetterSO2poisoningresistanceandabetterrecoveryperformancethanthecommercialPt/Ccatalystdoes.

简介：Theoccurrencemodesofalkaliandalkaline-earthmetals(AAEMs)incoalrelatetotheirreleasebehaviorandashformationduringcombustion.TobetterunderstandthetransformationofAAEMs,thereleasebehaviorofwater-soluble,HCl-soluble,HCl-insolubleAAEMsduringShenmucoal(SMcoal)oxy-fuelcombustioninthepresenceofSO2andH2Oinadrop-tubereactorwasinvestigatedthroughserialdissolutionusingH2OandHClsolutions.TheresultsshowthatthereleaseratesofAAEMsincreasewithanincreaseintemperatureunderthethreeatmospheresstudied.ThehighreleaseratesofMgandCafromSMcoalaredependentonthehighcontentofsolubleMgandCainSMcoal.SO2inhibitsthereleaseratesofAAEMs,whileH2Opromotesthem.TheeffectsofSO2andH2OontheNaandKspeciesaremoreevidentthanthoseonMgandCaspecies.AllthreetypesofAAEMsincoalcanvolatilizeinthegasphaseduringcoalcombustion.TheW-typeAAEMsreleaseexcessively,whereasthereleaseratesofI-typeAAEMsarerelativelylower.DifferenttypesofAAEMmayinterconvertthroughdifferentpathwaysundercertainconditions.BothSO2andH2Opromotethetransformationreactions.TheeffectofSO2wasrelatedtosulfateformationandthepromotionbyH2OoccursbecauseofadecreaseinthemeltingpointofthesolidaswellasthereactionofH2O.

简介：Thepaperrepresentsarigoroustreatmentoftheunderlyingquantumtheory,notjustinwordsbutprovidingtheunderlyingtechnicaldetails,astowhymatteroccupiessolargeavolumeanditsintimateconnectionwiththePauliexclusionprinciple,asmoreandmorematterisputtogether,aswellasofthecontractionorshrinkageof'bosonicmatter',uponcollapse,forwhichthePauliexclusionisabolished.Fromthederivedexplicitboundsofintegralsofpowersoftheparticlenumberdensities,explicitboundsonprobabilitiesoftheoccurrencesoftheeventsjustdescribedareextracted.Theseprobabilitiesleadonetoinferthechangeofthe'size'orextensionofsuchmatter,uponexpansionorcontraction,respectively,astheircontentisincreased.

简介：One-potachievementofethyllevulinatefromcassavawasconductedinethanol-watersystemoverseveralsimplesulfatesaltcatalysts.Al2（SO4）3catalysthadthebestperformanceinsynthesizingethyllevulinatecomparingwiththoseofaseriesofsulfatesalts.Thehighestyieldsofethyllevulinatewasupto39.27%aswellas7.78%levulinateacidwhencassavawascatalyzedinethanolmediumbyadding10wt%water.13Cand1HNMRspectroscopicinvestigationsconfirmedthatisomerizationofglucosetofructoseoverAl2（SO4）3catalystisanimportantstepinproducingethyllevulinateandlevulinateacid.DuetoaggregationsofAl3+underhydrothermalconditions,tinyamountofAl3+weredetectedinfiltrateatthepercentageof0.32%evenifinabsolutewater.BronstedandLewisacidscouldimprovetheyieldofethyllevulinateandlevulinateacidbysynergisticeffect.AllresultssuggestedthatA12（SO4）3wasasimpleandefficientcatalystforethyllevulinateandlevulinateacidproduction.

简介：ThesplittingofpotentialenergylevelsforgroundstateX2ΠgofOx2(x=+1,1)underspin–orbitcoupling(SOC)hasbeencalculatedbyusingthespin–orbit(SO)multi-configurationquasi-degenerateperturbationtheory(SO-MCQDPT).TheirMurrell–Sorbie(M–S)potentialfunctionsaregained,andthenthespectroscopicconstantsforelectronicstates2Π1/2and2Π3/2arederivedfromtheM–Sfunction.TheverticalexcitationenergiesforOx2(x=+1,1)areν[O+12(2Π3/2→X2Π1/2)]=195.652cm1,andν[O12(2Π1/2→X2Π3/2)]=182.568cm1,respectively.Allthespectroscopicdataforelectronicstates2Π1/2and2Π3/2aregivenforthefirsttime.

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简介：1．大肥猪的质量约为150kg，其体重约为________N，相一当于__________个质量为25kg的狗的体重．

简介：当堂反馈1．压强是反映——的物理量．一辆“东风牌”汽车对地面的压强是1．8×10^4Pa它所表示的物理含义是——.

简介：AnewlayeredCu-basedoxychalcogenideBa3Fe2O5Cu2S2hasbeensynthesizedanditsmagneticandelectronicpropertieswererevealed.Ba3Fe2O5Cu2S2isbuiltupbyalternativelystacking[Cu2S2]2-layersandironperovskiteoxide[（FeO2）（BaO）（FeO2）]2-layersalongthecaxisthatareseparatedbybariumionswithFe3+fivefoldcoordinatedbyasquare-pyramidalarrangementofoxygen.Fromthebondvalencearguments,weinferredthatinlayeredCuCh-based（Ch=S,Se,Te）compoundsthe+3cationinperovskiteoxidesheetprefersasquarepyramidalsite,whilethelowervalencecationprefersthesquareplanarsites.Thestudiesonsusceptibility,transport,andopticalreflectivityindicatethatBa3Fe2O5Cu2S2isanantiferromagneticsemiconductorwithaNe′eltemperatureof121Kandanopticalbandgapof1.03eV.Themeasurementofheatcapacityfrom10Ktoroomtemperatureshowsnoanomalyat121K.TheDebyetemperatureisdeterminedtobe113K.TheoreticalcalculationsindicatethattheconductionbandminimumispredominantlycontributedbyO2pand3dstatesofFeionsthatantiferromagneticallyarrangedinFeO2layers.TheFe3dstatesarelocatedatlowerenergyandresultinanarrowbandgapincomparisonwiththatoftheisostructuralSr3Sc2O5Cu2S2.

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简介：Inthisarticle,theSm-dopingsinglecrystalsCa1-xSmxFe2As2（x=00.2）werepreparedbytheCaAsfluxmethod,andfollowedbyarapidquenchingtreatmentafterthehightemperaturegrowth.Thesampleswerecharacterizedbystructural,resistive,andmagneticmeasurements.ThesuccessfulSm-substitutionwasrevealedbythereductionofthelatticeparameterc,duetothesmallerionicradiusofSm3+thanCa2+.SuperconductivitywasobservedinallsampleswithonsetTcvaryingfrom27Kto44KuponSm-doping.ThecoexistenceofacollapsedphasetransitionandthesuperconductingtransitionwasfoundforthelowerSm-dopingsamples.ZeroresistivityandsubstantialsuperconductingvolumefractiononlyhappeninhigherSm-dopingcrystalswiththenominalx>0.10.Thedopingdependencesofthec-axislengthandonsetTcweresummarized.Thehigh-TcobservedinthesequenchedcrystalsmaybeattributedtosimultaneoustuningofelectroncarriersdopingandstraineffectcausedbylatticereductionofSm-substitution.

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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_2=11to20arecalculatedusingtheenergiesandthemulticonfiguratloninteractionwavefunctionsobtainedfromafullcorepluscorrelationmethod.Theagreementbetweenthef-valuescalculatedfromthelength,velocityandaccelerationformulaeisexcellent.Ourresultsagreecloselywiththeexperimentaldataavailableintheliterature.Combiningthesediscreteoscillatorstrengthswiththesingle-channelquantumdefecttheory,thediscreteoscillatorstrengthsforthetransitionsfrom1s^22pstatetohighlyexcitedstates(n_>10)andtheoscillatorstrengthdensitiescorrespondingtothebound-freetransitionsareobtained.

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