简介:以异丙醇铝为前驱体,HNO3为胶溶剂,采用溶胶-凝胶法制备Al2O3膜。考察HNO3浓度对溶胶及薄膜的影响,通过TG-DTG,XRD,AFM,BET等表征手段对溶胶的稳定性及黏度,薄膜的热稳定性,物相组成,表面形貌,微孔结构及分布等进行综合分析。结果表明:随HNO3浓度增大,溶胶黏度增大,HNO3浓度为5mol/L时溶胶发生团聚;薄膜的热稳定性较好,高于500℃加热薄膜几乎没有质量损失;随烧结温度升高,薄膜中的γ-AlOOH逐渐向γ-Al2O3转变,薄膜因此变得更加稳定;薄膜表面较为平整,微孔分布均匀,平均孔直径为4.22nm。
简介:Inthispaper,2-isopropylnaphthalenehasbeensynthesizedbythereactionofnaphthaleneandisopropylbromide,usingtriethylaminehydrochloride-aluminumchlorideionicliquidasthecatalyst.Theeffectofthecatalystcomposition,thereactiontime,thereactiontemperature,theionicliquiddosage,aswellasthemolarratioofthereagentsonthe2-isopropylnaphthaleneyieldwassystematicallyinvestigated.Theoptimalreactionconditionscover:anAlCl3toEt3NHClratioof2.0,areactiontimeof3h,areactiontemperatureof15.0℃,avolumefractionofionicliquidtothemixture(isopropylbromide,n-dodecaneandn-hexane)of9%,andanaphthalene/isopropylbromidemolarratioof4.0.Undertheoptimalreactionconditions,theconversionofisopropylbromidereached98%andtheselectivityof2-isopropylnaphthalenewasequalto80%.ThetestresultsverifiedgoodcatalyticactivityuponusingEt3NHCl-AlCl3ionicliquidasthecatalystforalkylationofnaphthalenewithisopropylbromide.Theactivityoftheionicliquidremainsunchangedafterithasbeenrecycledfor4times.
简介:Eu2+andDy3+codoped(Ca,Sr)7(SiO3)6Cl2yellowphosphorsweresuccessfullysynthesizedbyself-fluxmethod.Thestructure,morphologyandphotoluminescencepropertieswereinvestigatedbyX-raydiffraction(XRD),scanningelectronmicroscopy(SEM)andphotoluminescencespectra.Theas-preparedphosphorshowedabroademissionspectrumcenteredat550nmforEu2+single-dopedphosphor,whilelocatedat548–544nmfortheEu2+,Dy3+codopedsamplesunderexcitationat380nmlight.TheemissionintensitywasgreatlyimprovedwhenDy3+wasdopedintothe(Ca,Sr)7(SiO3)6Cl2:Eu2+system.Thecomposition-optimizedsamplewith3mol.%ofDy3+andconstant10mol.%ofEu2+exhibiteda220%PLenhancementcomparedtothephosphorwith10mol.%Eu2+single-doped.Meanwhile,itwasfoundthatthequantumefficiencyofphosphornamely(Ca,Sr)7(SiO3)6Cl2:3mol.%Dy3+,10mol.%Eu2+couldgetupto24.6%.Thesynthesizedyellow-emitting(Ca,Sr)7(SiO3)6Cl2:Dy3+,Eu2+isapromisingcandidateashigh-efficiencyyellowphosphorforNUV-excitedwhiteLEDs.
简介:目的:探讨线粒体膜电位(△ψm)、Caspase3在As2O3诱导ACC-2细胞凋亡中的作用。方法:进行ACC-2细胞培养,将As2O3建立不同药物浓度梯度(0,1.0,2.0,4.0,8.0μmol/L)分别作用于ACC-2细胞,用Rh123染色,流式细胞仪检测8.0μmol/LAs2O3作用前、后(24h),ACC-2细胞的线粒体膜电位(△ψm)变化;用多功能酶标仪进行Caspase3活性检测。结果:空白对照组ACC-2细胞内Rh123荧光强度最强,8.0μmol/LAs2O3处理组ACC-2细胞内Rh123荧光强度减弱,其差异有显著性(P〈0.05);随着As2O3药物浓度的增高(0,1,2,4,8μmol/L),ACC-2细胞的Caspase3酶活力单位逐渐增加。结论:As2O3作用于ACC-2细胞,可通过降低线粒体膜电位从而引起细胞凋亡。随着As2O3药物浓度的增高,ACC-2细胞的Caspase3酶活力单位逐渐增加,Caspase3被激活,细胞可发生不可逆转的凋亡过程。
简介:QuantumdynamicscalculationsforthetitlereactionH(2S)+S2(X3-Σg)→SH(X2Π)+S(3P)areperformedbyusingagloballyaccuratedoublemany-bodyexpansionpotentialenergysurface[J.Phys.Chem.A1155274(2011)].TheChebyshevrealwavepacketpropagationmethodisemployedtoobtainthedynamicalinformation,suchasreactionprobability,initialstate-specifiedintegralcrosssection,andthermalrateconstant.Itisfoundnotonlythatthereisareactionthresholdnear0.7eVinbothreactionprobabilitiesandintegralcrosssectioncurves,butalsothatboththeprobabilityandcrosssectionincreasefirstlyandthendecreaseasthecollisionenergyincreases.Theexistenceoftheresonancestructureinboththeprobabilityandcrosssectioncurvesisascribedtothedeeppotentialwell.Thecalculationoftherateconstantrevealsthatthereactionoccurringonthepotentialenergysurfaceoftheground-stateHS2isslowtotakeplace.
简介:采用密度泛函B3LYP/6-311G(d,p)方法对CH3F与C2H3的反应体系进行了理论研究,获得了反应的势能面信息及可能的微观机理.在QCISD(T)/6-311++G(d,p)水平上精确计算了各反应物种的单点能.结果表明,除抽提氢反应外,标题反应还存在抽提氟(R1)、消氟化氢(R2)、消氢(R3)和自由基形成(R4)四类反应.在QCISD(T)/6-311++G(d,p)//B3LYP/6-311G(d,p)水平上,R1,R2,R3和R4反应的能垒分别是163.9,152.2,209.8和224.2kJ·mol-1,相应反应能为-56.6,-164.3,-2.7和-156.0kJ·mol-1,所有反应均放热,为热力学允许的反应.
简介:设D为奇素数,运用同余式、平方剩余等初等方法得出了Diophantine方程x3-53=Dy2无正整数解的一个充分条件。
简介:采用HF/DFT的混合泛函PBE0和UPBE0优化了配合物[Os(PH3)2(CN)2(N^N)](其中N^N=2,2′-吡啶)的基态和激发态结构.在基态和激发态结构的基础上,利用含时密度泛函理论(TD-DFT)方法,结合极化连续介质(PCM)模型分别计算了它在二氯甲烷(1)、甲醇(2)、气态(3)和乙腈(4)溶液中的吸收和发射光谱.研究结果表明:优化得到的几何结构参数和相应的实验值符合得非常好.在极性较大的溶剂(2和4)中Os—P(1)和Os—C(1)键较长,Os—N(3)键较短,溶剂的极性会影响配合物的电子云分布.配合物在1-4溶剂中的最低能吸收和发射均来自分子轨道68→71的激发,该激发被指认为[d(Os)+π(CN)+π(N^N)→π*(N^N)]的跃迁具有混合的MLCT/LLCT特征.配合物在1-4溶剂中的最低能吸收和发射分别在471,410,488和445nm以及598,536,634和545nm,表明随着溶剂极性的逐渐增大(3〈1〈4〈2),最低能吸收和发射发生明显的蓝移.这显示出通过改变溶剂极性可以调节配合物的发光颜色.
简介:Nanostructuredγ-Al2O3withhighsurfaceareaandmesoporousstructurewassynthesizedbysol-gelmethodandemployedascatalystsupportfornickelcatalystsinmethanereformingwithcarbondioxide.ThepreparedsampleswerecharacterizedbyXRD,N2adsorption-desorption,TPR,TPO,TPH,NH3-TPDandSEMtechniques.TheBETanalysisshowedahighsurfaceareaof204m2g-1andanarrowpore-sizedistributioncenteredatadiameterof5.5nmforcatalystsupport.TheBETresultsrevealedthatadditionoflanthanumoxidetoaluminumoxidedecreasedthespecificsurfacearea.Inaddition,TPRresultsshowedthatadditionoflanthanumoxideincreasedthereducibilityofnickelcatalyst.Thecatalyticevaluationresultsshowedanincreaseinmethaneconversionwithincreasinglanthanumoxideto3mol%andfurtherincreaseinlanthanumcontentdecreasedthecatalyticactivity.TPOanalysisrevealedthatthecokedepositiondecreasedwithincreasinglanthanumoxideto3mol%.SEMandTPHanalysesconfirmedtheformationofwhiskertypecarbonoverthespentcatalysts.AdditionofsteamandO2todryreformingfeedincreasedthemethaneconversionandledtocarbonfreeoperationincombinedprocesses.
简介:AseriesofCe0.5Fe0.30Zr0.20O2catalystswerepreparedbydifferentmethods(co-precipitationsmethod,citricacidsol-gelmethod,impregnationmethod,physicalmixedmethod,andhydrothermalmethod)andcharacterizedbyX-raydiffraction(XRD),Ramanspectroscopy,Brunauer-Emmett-Teller(BET)andH2-TPRmeasurements.Potentialofthecatalystsinthesootoxidationwasevaluatedinatemperature-programmedoxidation(TPO)apparatus.TheresultsshowedthatalltheFe3+andZr4+wereincorporatedintocerialatticetoformapureCe-Fe-Zr-Osolidsolutionfortheco-precipitationsample,buttwokindsofFephasesexistedintheCe-Fe-Zr-Ocatalystspreparedbyothermethods:Fe3+incorporatedintoCeO2latticeanddispersedFe2O3clusters.ThefreeFe2O3clusterscouldimprovetheactivityofcatalystsforsootoxidationcomparingwiththepureCe-Fe-Zr-OsolidsolutionowingtothesynergeticeffectbetweenfreeFe2O3andsurfaceoxygenvacancies.Inaddition,theactivityofcatalystsstronglyreliedonthesurfacereducibilityoffreeFe2O3particles.HoldingbothabundantfreeFe2O3particlesandhighoxygenvacancyconcentration,thehydrothermalCe0.5Fe0.3Zr0.2O2catalystpresentedthelowestTi(251°C,ignitiontemperatureofsootoxidation)andTm(310°C,maximumoxidationratetemperature)forsootcombustion(withtight-contactbetweensootandcatalysts)amongthefivesamples.Evenafteragingat800°Cfor10h,theTiandTmwerestillrelativelylow,at273and361°C,respectively,indicatinghighcatalyticstability.
简介:Ceriasphereswithdifferentsizesandsulfurizedproductswithcorrespondingmorphologywerepreparedbyhydrothermalandgas-solidreactionmethodat600–800°CunderCS2atmosphereforashorttime,respectively.Dimensionaleffectinpreparationofγ-Ce2S3wasfirstlyinvestigatedbymeansoftechniquessuchasscanningelectronmicroscopy(SEM),X-raydiffraction(XRD),thermalgravimetricanalysis(TGA)andspectrophotometer.Theresultsshowedthatwhenceriananoparticleswithsmallsizewereusedasprecursors,theγ-Ce2S3couldbepreparedatthelowertemperatureandthebadlysinteredproductswereobtained;whenceriananoparticleswithlargesizewereemployedasprecursors,pureγ-Ce2S3wasdifficultlyobtainedevenifthetemperaturewasupto800°Candtheproductstendedtokeeptheiroriginalsize.Theheat-resistancepropertyoftheγ-Ce2S3withlargesizewasbetterthanthesmallerone,andthepureγ-Ce2S3preparedfromprecursorwithsmallsizehadagoodpigmentaryperformance.
简介:三元材料LiMn1/3Ni1/3Co1/3O2比容量高,结构稳定,热稳定性好,成本低,是锂离子电池正极材料市场最具竞争能力的材料之一.重点总结和分析了三元材料掺杂、表面修饰等改性方面的研究,并对其未来的发展前景进行了展望.
简介:Chalcopyrite-typeCuInSe2nanoparticlesaresuccessfullypreparedbyusingIn2Se3nanoparticlesasaprecursorreactedwithcopperchloride(CuCl)solutionviaaphasetransformationprocessinlowtemperature.Thereactiontimeisakeyparameter.Afterthereactiontimeincreasingfrom0.5hto8h,In2Se3andCuClreactwitheachothergraduallyviaphasetransformationintoCuInSe2withoutanyintermediatephase.ThecrystallinestructureandmorphologyoftheCuInSe2nanoparticlesarecharacterizedbyX-raydiffraction(XRD)andfieldemissionscanningelectronmicroscopy(FESEM).ThediameterofCuInSe2nanoparticleswithgooddispersibilityrangesfrom10nmto20nm.ThebandgapoftheCuInSe2nanoparticlesis1.04eVcalculatedfromtheultraviolet-visible(UV-VIS)spectrum.
简介:CaF2:Ho3+/Yb3+nano-particleswithintensegreenup-conversion(UC)luminescencearesuccessfullysynthesizedviaafacilehydrothermalapproachbyusingNH4FasthefluoridesourceandNa2EDTAasachelatingreagent.PowderXraydiffraction(XRD),transmissionelectronmicroscopy(TEM),fieldemissionscanningelectronmicroscopy(FE-SEM),andUCemissionspectraareusedtocharacterizethestructures,shapes,andluminescentpropertiesofthesamples.TheeffectsfromfluoridesourcesandchelatingreagentsontheformationsofCaF2nano-particlesareinvestigated,andtheformationprocessisalsodeduced.Undertheexcitationofa980-nmlaserdiode,thesampleseachshowagreenup-conversionemissioncenteredat540nmcorrespondingtothe5S2/5F4→5I8transitionsofHo3+.Moreover,theUCmechanismsofHo3+/Yb3+co-dopedCaF2nano-particlesarealsodiscussed.