简介：采用密度泛函理论（DFT）的B3PW91方法,在混合基组水平上对Al掺杂Sn12-团簇几何结构和电子结构进行了计算分析.结果表明,Al内掺杂Sn12-团簇能量更低更稳定,但LU-MO-HOMO能隙较小.外掺杂多面体簇中,电荷从Al原子移向Sn12-笼,趋向形成[Al＋Sn122-]结构;内掺杂多面体簇中,电荷从Sn12-笼移向Al原子,趋向形成[Al-@Sn12]结构.
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：Ni-CobimetalliccatalystswithdifferentNi/Cocontentwerederivedfromcoldplasmajetdecompositionandreductionofhydrotalcite-likecompoundscontainingNi,Co,MgandAl,andtheircatalyticperformancewasinvestigatedwithdryreformingofmethane.Experimentalresultsshowedthatthehydrotalcite-likeprecursorscouldbecompletelydecomposedandpartlyreducedbycoldplasmajet,andtheNicontainedcatalystsexhibitedmuchhigheractivitythanthecatalystwithoutNi.Especially,thecatalystwithNi/Coratioof8/2achievednotonlythehighestconversionsof80.3%and69.3%forCH4andCO2,respectively,butalsothebeststabilityin100htesting.ThecatalystswerecharacterizedbyXRD,XPS,TEMandN2adsorptiontechniques,andtheresultsshowedthatthebetterperformanceofthe8Ni2Cobimetalliccatalystwasattributedtoitshighermetaldispersion,smallermetalparticlesize,aswellastheinteractioneffectbetweenNiandCo,whichwerebroughtbythespecialcatalystpreparationmethod.
简介：Thispaperreportsonthelongevityofglycerol-dry(CO2)reformingoverthelanthanum(La)promotedNi/Al2O3catalysts.TheXRDresultsshowedthattheNiparticlewaswell-dispersedinthepresenceofLapromoter.Inaddition,viatheNH3-TPDanalysis,itwasfoundthattheLapromoterhasreducedtheacidityofNicatalystwhichmayhaveexplainedthemitigationofcarbonlaydown.Itwasdeterminedthatthe3.0wt%La-promotedNi/Al2O3catalystpossessedthelargestBETspecificsurfaceareaof97m2g-1.Consequently,ityieldedthebestcatalyticlongevityperformancewithconversionattainedmorethan90%,evenafter72hofreactionduration.Significantly,itcanbeconfirmedthatthepresenceofCO2duringtheglyceroldryreformingwasessentialinreducingcarbondeposition,mostlikelyviagasificationpathway.Thishasensuredastabilityofcatalyticactivityforalongreactionperiod(72h).
简介：Twonewdicyanamidecoordinationpolymers,{Mn(dmpz)[N(CN)2]2}2(1)and{Cu(dmpz)[N(CN)2]2}2(2)(dmpz=3,5-dimethylpyrazole),weresynthesizedandcharacterizedbysinglecrystalX-raydiffractionanalysisandIRspectroscopy.In1and2themetalionshavetwodifferentcoordinationmodes,whereoneiscoordinatedtofourdicyanamideanionsandtwomonodentatedmpzmoleculestoformaslightlydistortedoctahedralgeometry,whiletheotheradoptsoctahedralgeometry,surroundedbyfournitrileNatomsandtwoamideNatomsofthedicyanamideanions.Bothcomplexescontaintwoalternatingchainsthatareparalleltoeachother.
简介：归纳了从钛铁矿中分离铁和二氧化钛的方法,包括亚熔盐法、预氧化法、还原锈蚀法;其次,初步总结了目前国内外制备Fe3O4磁性纳米颗粒和TiO2纳米粒子的方法。最后,对Fe3O4/TiO2复合材料的制备方法包括溶胶-凝胶法、微乳液法、均匀沉淀法作了梳理。Fe3O4/TiO2复合纳米材料很好地解决了单独使用TiO2作为废水处理催化剂,在实际应用过程中易随水流失,难以回收利用的问题,具有一定的实用性。
简介：通过紫外差谱方法研究金属Fe离子不同形态与不同类别血清白蛋白分子的别构效应,并比较分析分子作用机理.考察氧介导条件对Fe离子不同形态分别与人血清白蛋白（Humanserumalbumin,HSA）、牛血清白蛋白（Bovineserumalbumin,BSA）别构效应的影响,建立定量模型方程.结果表明,Fe离子不同形态与血清白蛋白结合反应体系中存在Fe（Ⅱ）-HSA/BSA～Fe（Ⅲ）-HSA/BSA的动态平衡,Fe（Ⅱ）-HSA/BSA～Fe（Ⅲ）-HSA/BSA电子转移效应是别构效应的关键影响因素,导致Fe离子不同形态与血清白蛋白结合反应的别构效应迥异,呈现形态显著性差异.氧介导及无氧条件下的Fe（Ⅱ）-HSA/BSA～Fe（Ⅲ）-HSA/BSA电子转移效应机理不同.无氧条件下,Fe（Ⅲ）与血清白蛋白的相互作用遵循动力学一级反应规律,计算得到结合反应体系的速率常数k及自由能变ΔG≠.
简介：Poly(methylmetacrylate)(PMMA)/Y0.0025Si0.025Ba0.9725(Ti(0.9)Sn0.1)O3(YBTS)composites在YBTS的不同重量比率被准备(0wt%，5wt%，10wt%和20wt%YBTS)招待以便在PMMA的电、光的性质上调查YBTS增加的效果。电的性质(阻抗，绝缘的经常的绝缘的损失和交流电导率)在频率范围被学习10kHz-1MHz并且在温度范围20鈥?0掳C。在增加YBTS的内容之上陶器，我们在在绝缘的经常的、绝缘的损失和PMMA的交流电导率的阻抗和增加观察了减小主人。我们也发现在高YBTS内容的松驰过程由于在离子的传导性的松驰。吸收系数(伪)在波长范围被决定了230鈥?在为所有YBTS-PMMAcomposites的房间温度的00nm。而且，YBTS的增加陶器高度特别在300nm下面提高PMMA主人的紫外吸收。对PMMA主人陶器的20wt%YBTS的增加减少从5eV的光精力差距到3.41eV。关联在之间电，光并且SEM结果被报导。关键词电-光-PMMA，陶器-铁电体-Composites
简介：ThisarticleaddressesthesynthesisoforganicallytailoredNi-Allayereddoublehydroxide(ONi-AlLDH)anditsuseinthefabricationofexfoliatedpoly(methylmethacrylate)(PMMA)nanocomposites.ThepristineNi-AlLDHwasinitiallysynthesizedbyco-precipitationmethodandsubsequentlymodifiedusingsodiumdodecylsulfatetoobtainONi-AlLDH.NanocompositesofPMMAcontainingvariousamountsofmodifiedNi-AlLDH(3wt%?7wt%)weresynthesizedviasolventblendingmethodtoinvestigatetheinfluenceofLDHcontentonthepropertiesofPMMAmatrix.SeveralcharacterizationmethodssuchasX-raydiffraction(XRD),transmissionelectronmicroscopy(TEM),Fouriertransforminfraredspectroscopy(FTIR),rheologicalanalysis,differentialscanningcalorimetry(DSC)andthermogravimetricanalysis(TGA),wereemployedtoexaminethestructural,viscoelasticandthermalpropertiesofPMMA/OLDHnanocomposites.TheresultsofXRDandTEMexaminationconfirmtheformationofpartiallyexfoliatedPMMA/OLDHnanocomposites.TheFTIRresultselucidatethatthecharacteristicbandsforbothpurePMMAandmodifiedLDHarepresentinthespectraofPMMA/OLDHnanocomposites.Rheologicalanalyseswerecarriedouttoexaminetheadhesionbetweenpolymermatrixandfillerspresentinthenanocompositesample.TheTGAdataindicatethatthePMMAnanocompositesexhibithigherthermalstabilitywhencomparedtopurePMMA.ThethermaldecompositiontemperatureofPMMA/OLDHnanocompositesincreasesby28KcomparedtothatofpurePMMAat15%weightlossasapointofreference.IncomparisonwithpurePMMA,thePMMAnanocompositecontaining7wt%LDHdemonstratesimprovedglasstransitiontemperature(Tg)ofaround3K.Theactivationenergy(Ea),reactionorders(n)andreactionmechanismofthermaldegradationofPMMA/OLDHnanocompositeswereevaluatedusingdifferentkineticmodels.WateruptakecapacityofthePMMA/OLDHnanocompositesislessthanthatofthepurePMMA.
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