学科分类
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50 个结果
  • 简介:利用密度泛函理论(DensityFunctionalTheory)中的B3LYP方法在6-311+G(d,p)的计算水平上研究了Fe/Fe_2与NO反应的相关微观机理.全参数优化了Fe+NO和Fe_2+NO反应体系在不同重态反应势能面上各驻点的几何结构,并用频率分析法以及内禀反应坐标(IntrinsicReactionCoordinate)方法对过渡态进行了验证,得到了相对应的反应的微观反应路径.用"两态反应"分析反应机理,计算结果表明2个体系的优先选择路径均为低自旋态进入和高自旋态离开反应.通过对2个体系反应活化能的比较,Fe_2+NO体系更易进行.

  • 标签: 铁原子 Fe2铁簇 NO 密度泛函 两态反应
  • 简介:ThecatalyticactivityofFe/ZSM-5fortheselectivereductionofNOtoN2withmethaneinthepresenceofexcessO2wasstudied.Fe/ZSM-5catalystswithvariousFeloadingswerepreparedbyimpregnationmethod.ItiswellknownthatmethaneisinactivewhenFe/ZSM-5asthecatalystfortheselectivecatalyticreduction(SCR)ofNOwithmethane.However,thispapershowsthatwhenthecontentofFewasabout0.5%,Fe/ZSM-5showedhighercatalyticactivityandselectivityofmethane,andputforwardmeasurableactivationforCH4isanimportantfactorforthereactionofremovalofNOxwithCH4.

  • 标签: CATALYTIC activity Fe/ZSM-5 SELECTIVE CATALYTIC REDUCTION
  • 简介:研究了在盐酸介质中,三价铁离子能将盐酸氯丙嗪氧化成一种红色的物质,且氧化的程度与盐酸氯丙嗪的量呈正比关系,据此建立了测定盐酸氯丙嗪的分光光度分析方法。实验中最大吸收波长为530nm,摩尔吸光系数为5.13×103L/(mol·cm),盐酸氯丙嗪的量在5-250μg/10mL范围内与吸光度A有良好的线性关系,方法用于盐酸氯丙嗪药物的测定,其相对标准偏差为0.11%-0.19%,加标回收率为95.0%-97.0%。

  • 标签: 分光光度法 三价铁离子 盐酸氯丙嗪
  • 简介:Wehavestudiedtheelectronic,bondingandenergeticcharacteristicsoftheFe-Sibinarysystemusingthetight-bondingextendedHuckelmethod.AmongtheFe-Sibinarycompounds,FeSihasthemostsymmetricgeometricarrangementinthecrystalstructure.Italsopossessesthelargestcohesiveenergyperatom.ThiscorrelatestothefactthatFeSiisthemoststablecongruently-meltingcompoundinthebulkphasediagram.Anestimateofinteractionenergiesbetweendifferentatomsisalsogiven.

  • 标签: FE-SI BINARY system BONDING EXTENDED Huckel
  • 简介:HighactiveandstablegoldcatalystssupportedoncrystallineFe2O3andCeO2/Fe2O3werepreparedviathedeposition-precipitationmethod.ThecatalystwithaAuloadof1.0%calcinedat180°CshowedaCOconversionof100%at-8.9°C,whileAu/CeO2/Fe2O3convertedCOcompletelyat-16.1°C.Evenhavingbeencalcinedat500°C,Au/Fe2O3stillexhibitedsignificantcatalyticactivity,achievingfullconversionofCOat61.6°C.ThecatalystwithalowAuloadof0.5%couldconvertCOcompletelyatroomtemperatureandkepttheactivityunchangedforatleast150h.N2adsorption-desorptionmeasurementsshowthatthecrystallinesupportspossessedahighspecificsurfaceareaofabout200m2/g.CharacterizationsofX-raydiffractionandtransmissionelectronmicroscopyindicatethatgoldspecieswerehighlydispersedasnanoorsub-nanoparticlesonthesupports.Evenafterthecatalystwascalcinedat500°C,theAuparticlesremainedinanano-sizeofabout6―10nm.X-rayphotoelectronspectrarevealthatthesupportedAuexistedinmetallicstateAu0.ThemodificationofAu/Fe2O3byCeO2provedtobebeneficialtotheinhibitionofcrystallizationofFe2O3andthestabilizationofgoldparticlesindispersedstate,consequentlypromotingcatalyticactivity.

  • 标签: 金催化剂 CO氧化 氧化铁 Au/Fe2O3 去甲肾上腺素 X射线光电子能谱
  • 简介:ThepartialoxidationofethanoltohydrogenwasinvestigatedoverNi/Fe/Lacatalystspreparedbytheco-precipitationmethod.TheeffectsofintroductionofLapromoterandthereactiontemperatureonthecatalyticperformancewerestudied.ItwasfoundthattheintroductionofLaintoNi/Fecatalystsishelpfultoincreasetheselectivitytohydrogenandthestabilityofthecatalysts.TheresultsofXRDandXPScharacterizationshowthatthestructureofthecatalystwaschangedduringthereaction.TheexistenceofLaFeO3speciesispossiblythemainreasonoftheincreaseofthecatalyststability.

  • 标签: 乙醇 局部氧化 镍/铁催化剂 氢转移
  • 简介:Inthisletter,Fe2O3UFP(UltrafineParticles)hydrosolandorganosolwithhighthirdorderopticalnonlinearsusceptibility(3)havebeenreportedforthefirsttime.ThesurfacialmodificationofFe2O3UFPwithdodecylbenzenesulfonateions(DBS)canenhancethenonlinearopticalresponsethroughinterfacialconfinementofelectronmotion.Theinvolvedmechanismisdiscussed.

  • 标签: CONFINEMENT INTERFACIAL SUSCEPTIBILITY ULTRAFINE hinder coated
  • 简介:Fe2O3/activecarbon(Fe2O3/AC)nanocompositeswerereadilyfabricatedbypyrolyzingFe3+impregnatedactivecarboninanitrogenatmosphere.Theas-preparedcompositeswerestudiedbyX-raypowderdiffraction(XRD),X-rayphotoelectronspectroscopy(XPS)andtransmissionelectronmicroscopy(TEM).Thecapacitivepropertyofthecompositeswasinvestigatedbycyclicvoltammetry(CV)andgalvanostaticcharge-dischargetest.Physicalcharacterizationsshowthattheγ-Fe2O3finegrainsdispersedintheACwell,withameansizeof21.24nm.Electrochemicaltestsin6mol/LKOHsolutionsindicatethattheas-preparednanocompositesexhibitedimprovedcapacitiveproperties.Thespecificcapacitance(SC)ofFe2O3/ACnanocompositeswasupto188.4F/gthatwasderivedfrombothelectrochemicaldouble-layercapacitanceandpseudo-capacitance,whichwas78%largerthanthatofpristineAC.AsymmetriccapacitorwithFe2O3/ACnanocompositesaselectrodeshowedanexcellentcyclingstability.TheSCwasonlyreducedbyafactorof9.2%after2000cyclesatacurrentdensityof1A/g.

  • 标签: 纳米复合材料 电容特性 制备 X-射线光电子能谱 X-射线粉末衍射 透射电子显微镜
  • 简介:Theopen-frameworkironphosphateFe2^111Fe1.5^11(PO4)3washydrothermallysynthesizedandcharacterizedbyelementalanalysis,IR,EPR,XPSandsinglecrystalX-raydiffractionanalysis.Thetitlecompoundcrystallizedinthetriclinic,spacegroupP-↑1witha=0.64724(4)nm,b=0.79651(6)nm,c=0.94229(5)nm,α=104.447(2)°,β=108.919(4)°,γ=101.741(4)°,V=0.42302(5)nm^3,Z=1andR1(wR2)=0.0307(0.0793).CrystaldatawerecollectedonaRigakuR-AXISRAPIDIPdiffractometerwithMoKα(λ=0.071073nm)at293(2)Kintherangeof2.43°

  • 标签: 热合成 磷酸铁 三维结构 开环结构
  • 简介:NanocrystallineNi-Mo-Fealloydepositswereobtainedbyelectrodeposition.ThestructuresofthealloydepositswereanalyzedbyX-raydiffraction(XRD)andX-rayphotoelectronspectroscopy(XPS).TheXRDresultsofnanocrystallineNi-Mo-Fealloydepositshowthatmanydiffractionlinesdisappear,andthatthereisonlyonediffractionpeakat44.0°.TheXPSresultsofnanocrystallineNi-Mo-Fealloydepositsindicatethatthenickel,molybdenumandironofthedepositsexistinmetallicstate,andthatthebindingenergyofthealloyedelementsincreasestosomeextent.ThenanocrystallineNi-Mo-FealloydepositelectrodemayofferbetterelectrocatalyticactivitythanthepolycrystallinenickeleletrodeandthenanocrystallineNi-Moalloyelectrode.TheelectrochemicalimpedancespectrafromthenanocrystallineNi-Mo-Fealloyelectrodeindicatethathydrogenevolutionin30%(m/m)KOHatloweroverpotentialisinaccordancewiththeVolmer-Tafelmechanism,butwiththeVolmer-Heyrovskymechanismathigheroverpotential.

  • 标签: 电催化 镍钼铁合金 纳米晶 电镀 电极
  • 简介:一条很简单、可控制的途径被建议综合新奇Fe(哦)3/TiO2nanoparticles。与整洁的TiO2相比,Fe(哦)3/TiO2增加了相片的率在6.0在超过五预定的pH的甲基橘子的催化降级,出现相片象P25一样优秀的催化活动。这提高的效果主要被归因于电子scavenger和充实的表面氢氧根组织的铁的氢氧化物存款。

  • 标签: 二氧化钛 氢氧化铁 光催化 化学
  • 简介:Thenanomaterialsoftenexhibitveryinterestingelectrical,optical,magnetic,andchemicalproperties,whichcannotbeachievedbytheirbulkcounterparts[1-7].Thedevelopmentofuniformnanometersizedparticleshasbeenintensivelypursuedbecauseoftheirtechnologicalandfundamentalscientificimportance[8-15].Itissignificantthatnanostructuredmaterialscanbecontrollablyassembledintotherequiredgeometryontosubstrates,becomingthebasisofthenextgenerationofcomponentsanddevices[16-31].Thedevelopmentofnewmethodsandstrategiesfororganizingthenanoparticlebasicbuildingblocksintothedesiredstructuresisrequired.Superlatticesmadefromthesebuildingblocksgiveustheopportunitytostudynotonlythepropertiesoftheindividualbuildingblocks,butalsocollectiveeffects.Thesuperparamagneticironoxidenanocrystals(NCs)havebeenusedinthefieldsofbio-medicine,ferrofluids,refrigerationsystem,catalysis,particularlyinmagneticresonanceimaging,tissueengineering,anddrugdeliveryapplications[32-42].

  • 标签: 纳米晶体 超晶格 自组装 四氧化三铁 纳米结构材料 超顺磁性氧化铁
  • 简介:在亲水性Fe3O4磁流体中,以甲基丙烯酸(MAA)为单体,N,N’-亚甲基双丙烯酰胺(MBA)为交联剂,采用光化学方法在水溶液体系中首先合成磁性聚甲基丙烯酸(PMAA)微球,进而在60℃下PMAA与稀土元素Dy离子反应合成具有荧光特性的磁性微球(FMPMs).运用振动样品磁强计(VSM),光子相关光谱仪,傅立叶变换红外光谱仪(FTIR)和热重-差热分析(TG-DTA)分别对微球的磁性能,平均水合粒径,化学组成和表面形貌进行了检测.结果表明,荧光磁性高分子微球有超顺磁性,呈很好的球形,表面含有丰富的稀土羧酸盐.

  • 标签: 荧光磁性高分子微球 甲基丙烯酸 光化学合成 制备 表征
  • 简介:Fe2O3solwiththeparticlediameterof3-5nmwasflocculatedbytheadditionofSDS,andtheflocculateformedwasredispersedbythefurtheradditionofthatsurfactant.ThusthesurfactantbilayerwasformedonthesurfaceofFe2O3.Theemulsionpolymerizationofstyrene(St)adsolubilizedonthesurfactantadsorbedbilayerwascarriedoutbyinitiatorpotassiumpersulfate(KPS).TheUV-Visandsurfacephotovoltagespectra(SPS)indicatethattheFe2O3particleswereencapsulatedinpolystyrene(PSt)successfully.

  • 标签: FE2O3 nanoparticles Encapsulation Composite MICROSPHERES
  • 简介:Inthisarticle,nano-scaleAl/Fe2O3compositeswithdifferentmorphologiesweresuccessfullyobtainedbyasimpleelectrospinningtechnique,whichisbasedonasurfactant(polyvinylpyridine,PVP)inamixtureofN,N-dimethylformamide(DMF)and2-propanol.TheelectrospunAl/Fe2O3compositesexhibitedacrystalstructureandphasecompositionbyX-raydiffractionanalysis.ThedifferentmorphologiesoftheAl/Fe2O3compositeswerealsoobservedthroughscanningelectronmicroscopyandtransmissionelectronmicroscopy.Itwasfoundthattherathersimpleelectrospinningmethodusedtopreparethemorphology-controlledAl/Fe2O3compositesmayhavethepotentialforpreparationofpropellants,explosives,andpyrotechnicsinthefuture.

  • 标签: 下线 服务 迁移
  • 简介:在这研究,新有点磁性、光的Fe3O4/CdTenanocomposites的准备被表明。SuperparamagneticFe3O4nanoparticles被铁、铁的离子的热水的一起沉淀首先综合,与丁氨二酸酸与tetramethylammonium氢氧化物(TMAOH)和化学激活由他们的表面的修正列在后面。修改表面的Fe3O4nanoparticles当时与CdTe量点(QD)是covalently涂的,它与mercaptoacetic酸(MPA)被修改,到通过Fe3O4和carboxyl的表面上的氨基的组的协作的Fe3O4/CdTe磁性、光的nanocomposites在CdTeQD上组织的形式。同样综合的nanocomposites的结构和性质被描绘。nanocomposites与40-50nm,黄绿色的排放特征和房间温度强磁性的一条平均直径拥有了结构,这被显示。荧光和nanocomposites的紫外力的吸收系列显示出CdTeQD与那些作比较的蓝移动。蓝移动的机制被介绍。nanocomposites与8.9emu/g的浸透磁化保留了铁磁性的性质。

  • 标签: 纳米复合材料 超顺磁性 水热合成 FE3O4纳米粒子 天冬氨酸 发光
  • 简介:为了解河南省内实验室在铝合金化学成分检测领域的整体水平,国家建材质检中心组织实施了铝合金化学成分中Si、Fe含量测定的实验室间比对。本次实验室比对共有20个实验室参加,推荐检测方法为:GB/T7999-2007《铝及铝合金光电直读发射光谱分析方法》,也可采用其他国家标准方法。结果表明:实验室满意结果率为80%,不满意结果率为15%,可疑结果率为5%。参加比对的绝大多数实验室能够准确检测铝合金化学成分含量。

  • 标签: 铝合金 实验室比对 SI FE 光电直读发射光谱分析