简介:Thegreenlong-after-glowluminescencefromTb3+-dopedSr2SiO4phosphors,whicharesynthesizedbythehightemperaturesolidstatereactioninareductiveatmosphere,isobservedinthispaper.Theresultsshowthatunderultravioletexcitation,theobtainedphosphorsproduceanintensegreen-lighting-emissionfromtheTb3+,andthegreen-lightinglongafter-glowluminescencerelatedtoTb3+canlasthalfanhouraftertheirradiationsourcehasbeenremoved.Moreover,theeffectsofco-dopingLi+,Dy3+,Er3+,Gd3+,andYb3+withTb3+onthedecaypropertiesandthermoluminescencepropertiesareinvestigatedtoconfirmthelong-after-glowmechanism.
简介:Muscovitemicasheetswithathicknessof12mwereirradiatedbyswiftheavyionsKrandBifromHeavyIonResearchFacilityinLanzhou(HIRFL).Theuencesrangefrom11010to11012ions/cm2.Theelectronicenergyloss(dE/dx)eincreasesfrom5.9to31.5keV/nm.ThevibrationalmodicationsinirradiatedmicawereinvestigatedbyFourier-transforminfraredspectroscopyandthelatenttrackswereobservedbytransmissionelectronmicroscope(TEM).Theinfraredspectrumshowsthatmotionsfromallatomtypesinthemuscovitemicastructurecouldbefoundinmodesforallvibrations.AsshowninFig.1,theintensityofallvibrationalmodesinmica,includingtheOHstretchmotionat3621cm??1,decreasedwiththeincreasing(dE/dx)e.Thesimilartendencyisfoundinsamplesirradiatedbyswiftheavyionswithincreasingionuence.Itisindicatedthatdefectsandstructuralmodicationsgeneratedduringswiftheavyionirradiation,andmoredefectsareintroducedbyirradiationwithhigherionuence.
简介:Inthispaper,weareconcernedwiththeglobalexistenceandconvergenceratesofthesmoothsolutionsforthecompressiblemagnetohydrodynamicequationswithoutheatconductivity,whichisahyperbolic-parabolicsystem.TheglobalsolutionsareobtainedbycombiningthelocalexistenceandaprioriestimatesifH3-normoftheinitialperturbationaroundaconstantstatesissmallenoughanditsL1-normisbounded.Aprioridecay-intimeestimatesonthepressure,velocityandmagneticfieldareusedtogettheuniformboundofentropy.Moreover,theoptimalconvergenceratesarealsoobtained.
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:Two-dimensional(2D)materialshaveattractedgreatresearchinterestsduetotheiruniqueproperties.2DMoS2,unlikeitsbulkformwhichwidelyusedassolidlubricantandcatalyst,isofbrilliantapplicationprospectinnanoelectronicsandoptoelectrnics.Theelectronicdevicesworkinkindsofradiationenvironment.Toevaluatetheionradiationeffectsonmaterialpropertiesandstabilityofdevice,theswiftheavyionradiationeffectonsingle-layerMoS2wasstudiedinthiswork[1??2].
简介:Underinvestigationinthispaperisa(3+1)-dimensionalvariable-coefficientKadomtsev–Petviashviliequation,whichdescribesthepropagationofsurfaceandinternalwaterwaves.ByvirtueofthebinaryBellpolynomials,symboliccomputationandauxiliaryindependentvariable,thebilinearforms,solitonsolutions,B¨acklundtransformationsandLaxpairareobtained.Variablecoefficientsoftheequationcanaffectthesolitonicstructure,whentheyarespeciallychosen,whilecurvedandlinearsolitonsareillustrated.Elasticcollisionsbetween/amongtwoandthreesolitonsarediscussed,throughwhichthesolitonskeeptheiroriginalshapesinvariantexceptforsomephaseshifts.
简介:Inthecurrentpaper,dry(CO2)-reformingofglycerol,anewreformingroute,wascarriedoutoveralumina(Al2O3)-supported,non-promotedandlanthanum-promotednickel(Ni)catalysts.Bothsetsofcatalystsweresynthesizedviaawetco-impregnationprocedure.Physicochemicalcharacterizationofthecatalystsshowedthatthepromotedcatalystpossessedsmallermetalcrystallitesize,hencehighermetaldispersioncomparedtothevirginNi/Al2O3catalyst.ThiswasalsocorroboratedbythesurfaceimagescapturedbytheFESEManalysis.Fromtemperature-programmedcalcinationanalysis,thederivativeweightprofilesrevealedtwopeaks,whichrepresentawatereliminationpeakatatemperaturerangeof373to473Kfollowedbynickelnitratedecompositionfrom473to573K.Inaddition,BETsurfaceareameasurementsgave85.0m2g-1forthenon-promotedNicatalyst,whilstthepromotedcatalystsshowedanaverageof1%to6%improvementdependingontheLaloadings.Significantly,reactionstudiesat873KshowedthatglyceroldryreformingsuccessfullyproducedH2.The2%La-Ni/Al2O3catalyst,whichpossessedthelargestBETsurfacearea,gaveanoptimumH2generation(9.70%)ataglycerolconversionof24.5%.
简介:Siliconcarbidefiber/siliconcarbidematrix(SiCf/SiC)compositesareofinterestasafuelcladdingandstructuralmaterialindesignsofadvancednuclearreactorduetotheirsuperiorthermo-mechanicalpropertiesandstabilitiesandlowcross-sectionforneutroncaptureunderthesevereserviceenvironmentincludinghightemperatureandhighenergyneutronbombardment.SiCf/SiCcompositionsconsistsofSiCfiberandSiCmatrixwhichexistinwellover100polymorphsdependentonthevariedstackingofSi-Cclose-packedatomicplanes,2H-SiC,4H-SiC,6H-SiC,3C-SiC,15R-SiC,etc.EnergeticHeatomscanbecreatedandaccumulatedvianuclearreactions.HeatomsagglomerateandcoarsenintoHebubblesandcandeterioratestructuralpropertiesbyinducingcrackandcreep.Inthisexperiment,thedamageofn-type4H-SiCwafers(researchstandard,suppliedbytheCreeResearchInc.)withathicknessof0.38mmimplantedwith100keVHe+toafluenceof31016He+/cm2andpost-implantation-annealedbehavioratdifferenttemperaturewerestudiedusingRamanscatteringspectroscopy.
简介:Anefficientsynthesisoffunctionalized4H-chromenesbythetandemreactionofb,g-unsaturatedaketoesterswith2-naphthols,1-naphthols,and1,3-dihydroxynaphthaleneshasbeenaccomplishedwithhighselectivityandexcellentyieldsinthepresenceofacatalyticamountofbismuthtriflate[Bi(OTf)3,5mol%]undermildconditions.Thefunctionalized4H-chromenesynthesisandourprevious2Hchromenehemiacetalsynthesiscouldcomplementeachothertoenrichreactiondiversity.
简介:AnovelSr2CuInO3Soxysulfidep-typesemiconductorphotocatalysthasbeenpreparedbysolidstatereactionmethodanditexhibitsintriguingvisiblelightabsorptionpropertieswithabandgapof2.3eV.Thep-typesemiconductorcharacterofthesynthesizedSr2CuInO3SwasconfirmedbyHallefficientmeasurementandMott-Schottkyplotanalysis.First-principlesdensityfunctionaltheorycalculations(DFT)andelectrochemicalmeasurementswereperformedtoelucidatetheelectronicstructureandtheenergybandlocations.Itwasfoundthattheas-synthesizedSr2CuInO3Sphotocatalysthasappreciateconductionandvalencebandpositionsforhydrogenandoxygenevolution,respectively.Photocatalytichydrogenproductionexperimentsunderavisiblelightirradiation(λ>420nm)werecarriedoutbyloadingdifferentmetalandmetal-likecocatalystsonSr2CuInO3SandRhwasfoundtobethebestoneamongthetestedones.
简介:AnewSnO_2-Fe_2O_3/SWCNTs(single-walledcarbonnanotubes)ternarynanocompositewasfirstsynthesizedbyafacilehydrothermalapproach.SnO_2andFe_2O_3nanoparticles(NPs)werehomogeneouslylocatedonthesurfaceofSWCNTs,asconfirmedbyX-raydiffraction(XRD),transmissionelectronmicroscope(TEM)andenergydispersiveX-rayspectroscopy(EDX).Duetothesynergisticeffectofdifferentcomponents,theassynthesizedSnO_2-Fe_2O_3/SWCNTscompositeasananodematerialforlithium-ionbatteriesexhibitedexcellentelectrochemicalperformancewithahighcapacityof692mAh·g~(-1)whichcouldbemaintainedafter50cyclesat200mA·g~(-1).Evenatahighrateof2000mA·g~(-1),thecapacitywasstillremainedat656mAh·g~(-1).
简介:利用室温液相还原、晶种生长的方法,成功的制备了大小形貌均一、性能稳定且具有磁性的Fe3O4@Cu2O复合纳米粒子,并且对制备的Fe3O4@Cu2O纳米粒子进行了光催化性能的研究.在以紫外光为光源的照射下,合成的Fe3O4@Cu2O纳米粒子对有机染料甲基蓝溶液起到很好的降解作用.更重要的是,在外加磁场的作用下,Fe3O4@Cu2O纳米粒子容易回收,具有良好的可循环利用性能.
简介:用分子对接和三维全息原子场作用矢量方法对36个来曲唑类衍生物和34个阿那曲唑类衍生物与芳香化酶的作用模式进行了研究,建立了三维定量构效关系模型,并在分子水平上阐述了其结合机制.运用多元线性回归(MLR)建模,同时采用内部及外部双重验证的办法对所得模型稳定性能进行深入分析和检验.MLR建模的复相关系数(Rcum)、留一法交互校验复相关系数(QCV)和外部样本校验复相关系数(Qext)分别为0.863,0.782,0.796和0.931,0.825和0.641.预测模型具有良好的稳定性和预测能力.采用AutoDock4.2软件对药物与受体之间的结合方式进行了研究.运用这些信息能为进一步设计合成强效芳香化酶抑制剂,或筛选潜在的具有更强抑制活性的天然化合物提供帮助.
简介:Weproposeageneralmethodologytodefinetheoptimumdopingionvolumedistributionrequiredforanefficientsolid-statelaseramplifier.ThisapproachisillustratedinthecontextoftwoexperimentaldiodepumpedYb:YAGamplifiersoperatingat300and160K.Processingofsuchtailoredgainmediaisnowpossiblethroughhorizontaldirectcrystallization.