学科分类
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52 个结果
  • 简介:UsingtheaveragingtheoryoffirstandsecondorderwestudythemaximumnumberoflimitcyclesofgeneralizedLinarddifferentialsystems{x=y+εhl1(x)+ε2hl2(x),y=-x-ε(fn1(x)y2p+1+gm1(x))+∈2(fn2(x)y2p+1+gm2(x)),whichbifurcatefromtheperiodicorbitsofthelinearcenterx=y,y=-x,whereεisasmallparameter.Thepolynomialshl1andhl2havedegreel;fn1andfn2havedegreen;andgm1,gm2havedegreem.p∈Nand[·]denotestheintegerpartfunction.

  • 标签: limit cycle PERIODIC ORBIT Li′enard differential
  • 简介:TheelectrochemicalformationofMg-LialloyswasinvestigatedinamoltenLiCl-KCl(58-42mol%)eutecticmeltat723K.ThecyclicvoltammogramforaMoelectrodeshowedthattheelectroreductionofLi~+proceedsinasinglestepandthedepositionpotentialofLimetalwas-2.40V(vs.Ag/AgCl).ForMgelectrode,theelectroreductionofLi~+takesplaceatlesscathodicpotentialthanthatattheMoelectrodewhichwascausedbytheformationofMg-Lialloys.PhaseofthedepositedMg-Lialloyscouldbecontrolledbytheelectrolysispotential,andthesampleswerecharacterizedbyX-raydiffractionandscanningelectronmicroscopy.Theresultsshowedthatα-Mgandβ-Liphaseswereobtainedat-2.35and-2.55V,respectively.

  • 标签: LiCl-KCl MOLTEN SALT ELECTRODEPOSITION MG-LI alloy
  • 简介:Li4Ti5O12(LTO)/carbonnanotubes(CNTs)compositematerialissynthesizedbasedonasolid-statemethodbysand-milling,spray-dryingandcalciningat8508CunderN2flow.TheLTO/CNTssampleswith1wt%and3wt%weightratioofCNTsadditionandthepristineLTOsampleareprepared.TherateperformanceandthethermalstabilityofthesesamplesareinvestigatedbasedonLiMn2O4(LMO)/LTOfull-cell.TheresultsshowthattheweightratioofCNTsadditionhasdistincteffectonLTOperformances.ThecompositematerialsofLTOcompositedCNTshavebetterperformanceathigh-rateduetotheintercalationenhancementbyconductivenetworkofCNTs.Atsecond,theoverchargingtemperatureresponseofthecell’ssurfacewith1wt%CNTsadditionisthelowest.Theparticlesizedistributionismeasuredandthemostuniformparticlesareobtainedwith1wt%CNTsaddition.ThistrendcouldexplainthatthemediumquantityofCNTsisoptimaltoimprovetheheatandmasstransferandpreventtheproblemsofcrystallitegrowinginterferenceandaggregationduringthecalcinationprocess.

  • 标签: 下线 服务 迁移
  • 简介:Holloworderedporouscarbonspheres(HOPCS)withahierarchicalstructurewerepreparedbytemplatingwithholloworderedmesoporoussilicaspheres(HOMSS).Scanningelectronmicroscopy(SEM)andtransmissionelectronmicroscopy(TEM)showedthatHOPCSexhibitedasphericalhollowmorphology.High-resolutionTEM,smallangleX-raydiffraction(SAXRD)andN2sorptionmeasurementsconfirmedthatHOPCSinverselyreplicatedtheunconnectedhexagonal-stackedporestructureofHOMSS,andpossessedorderedporosity.HOPCSexhibitedahigherstoragecapacityforLi+ionbattery(LIB)of527.6mAh/g,andgoodcyclingperformance.Alargecapacitylossduringthefirstdischarge-chargecyclewasfoundattributedtothehighcontentofmicropores.Thecyclingperformancewasderivedfromthehierarchicalstructure.

  • 标签: 高分辨透射电子显微镜 存储性能 中空 制备 碳球 多孔
  • 简介:本文探讨(CH3Li)4中键的作用,通过计算,发现(CH3Li)4分子的面甲基结构比顶甲基结构要稳定;指出LiLi间的成键作用相当强,约为Li2分子中键作用的40%左右,估计(CH3Li)4中的J7Li-6Li值约为1Hz。

  • 标签: 中键探讨
  • 简介:Lithiation-inducedplasticityisakeyfactorthatenablesSielectrodestomaintainlongcyclelifeinLi-ionbatteries.Westudytheplasticityofvariouslithiatedsili-conphasesbasedonfirst-principlescalculationsandiden-tifythelineardependenceoftheequivalentyieldstressonthehydrostaticpressure.Suchdependencemaycausethecompression-tensionasymmetryinanamorphousSithinfilmelectrodefromalithiationtodelithiationcycle,andleadstosubsequentratchetingoftheelectrodeaftercycliclithiation.Weproposeayieldcriterionofamorphouslithi-atedsiliconthatincludestheeffectsofthehydrostaticstressandthelithiationreaction.Wefurtherexaminethemicro-scopicmechanismofdeformationinlithiatedsiliconundermechanicalload,whichisattributedtotheflow-defectsmediatedlocalbondswitchingandcavitation.Hydrostaticcompressionconfinestheflowdefectsthuseffectivelystrength-enstheamorphousstructure,andviceversa.

  • 标签: 锂离子电池 可塑性 硅相 压力敏感 第一性原理计算 锂化反应
  • 简介:NanoporousanataseTiO2(np-TiO2)electrodeshavebeendevelopedviatheanodizationoftitaniumfoilsinfluoridecontainingelectrolytes,anditsapplicationinrechargeablelithium-ionbatteries(LIBs)wasinvestigated.Fourdifferenttypesofnp-TiO2electrodeswithdifferentporediametersof14.7±8.2nm,12.8±6.8nm,11.0±5.5,and26.7±13.6nmwerefabricatedforevaluatingtheeffectofnanoporouscharacteristicsontheLIBperformance.Thedischargecapacityofthefourbatterytypes1,2,3,and4were132.7mAhg-1,316.7mAhg-1,154.3mAhg-1,and228.4mAhg-1,respectively.Inaddition,theseelectrodes1,2,3,and4exhibitedreversiblecapacityof106.9mAhg-1after295th,180.9mAhg-1after220th,126.1mAhg-1after150th,and206.7mAhg-1after85thcycleatarateof1C,respectively.Itwasnotedthatthecycliclifeofthebatterieshadaninverserelationship,andthecapacityhadaproportionalrelationshiptotheporediameter.Theenhancedelectrochemicalperformanceofthenanoporouselectrodescanbeattributedtotheimprovedconductivityandtheenhancedkineticsoflithiuminsertion/extractionatelectrode/electrolyteinterfacesbecauseofthelargespecificsurfaceareaofnp-TiO2electrodes.

  • 标签: 纳米二氧化钛 锂离子电池 电化学性能 多孔电极 负极 放电容量
  • 简介:Lithiumsulfurbattery(LSB)offersseveraladvantagessuchasveryhighenergydensity,low-cost,andenvironmental-friendliness.However,itsuffersfromseriousdegradationofitsreversiblecapacitybecauseofthedissolutionofreactionintermediates,lithiumpolysulfides,intotheelectrolyte.Tosolvethislimitation,therearemanystudiesusinggraphene-basedmaterialsduetotheirexcellentmechanicalstrengthandhighconductivity.Comparedwithgraphene,grapheneoxide(GO)containsvariousoxygenfunctionalgroups,whichenhancethereactionwithlithiumpolysulfides.Here,weinvestigatedthepositiveeffectofusingGOmixedwithcarbonblackontheperformanceofcathodeinLSB.WehaveobservedasmallerdropofcapacityinGOmixedsulfurcathode.Wefurtherdemonstratethatthemechanisticoriginofreversibilityimprovement,asconfirmedthroughCVandRamanspectra,canbeexplainedbythestabilizationofsulfurinlithiumpolysulfideintermediatesbyoxygenfunctionalgroupsofGOtopreventdissolution.Ourfindingssuggestthattheuseofgrapheneoxide-basedcathodeisapromisingroutetosignificantlyimprovethereversibilityofcurrentLSB.

  • 标签: 多硫化物 氧化石墨 可逆容量 阴极 电池 反应中间体
  • 简介:BycombiningtheB-splinebasissetwithmodelpotential(B-spline+MP),wepresentoscillatorstrengthspectraofRydbergLiatomsinexternalfields.Thephotoabsorptionspectraareanalyzed.Overthenarrowenergyrangesconsideredinthispaper,thestructureofthespectracanbeindependentoftheinitialstatechosenforagivenatom.Ourresultsareingoodagreementwithprevioushigh-precisionexperimentaldataandtheoreticalcalculations,wheretheR-matrixapproachtogetherwithmultichannelquantumdefecttheory(R-matrix+MQDT)wasused.ItissuggestedthatthepresentmethodscanbeappliedtodealwiththeoscillatorstrengthspectraofRydbergatomsincrossedelectricandmagneticfields.

  • 标签: 里德伯原子 振子强度 模型势 计算 多通道量子亏损理论 矩阵方法
  • 简介:Inordertodeepentheunderstandingoftherelationshipbetweenfundamentalproperties(including:microstructureandcomposition)andphotocatalyticperformance,fourbismuthatecompounds,including:LiBiO3,NaBiO3,KBiO3,andAgBiO3,areregardedasresearchexamplesinthepresentwork,becausetheyhaveparticularcrystalstructuresandsimilarcompositions.Usingdensityfunctionaltheorycalculations,theirstructural,electronic,andopticalpropertiesareinvestigatedandcomparedsystematically.Firstofall,thecalculatedresultsofcrystalstructuresandopticalpropertiesareinagreementwithavailablepublishedexperimentaldata.Basedonthecalculatedresults,itisfoundthatthetunneledorlayeredmicro-structuralpropertiesleadtothestrongerinteractionbetweenbismuthandoxygen,andtheweakerinteractionbetweenalkaline-earthmetaland[BiO6]octahedron,resultinginthefeatureofmulti-bandgapsinthecasesofLiBiO3,NaBiO3,andKBiO3.ThisconclusionissupportedbythecaseofAgBiO3,inwhichthefeatureofmulti-bandgapsdisappears,duetothestrongerinteractionbetweenthenoblemetaland[BiO6]octahedron.Thesepropertieshavesignificantadvantagesinthephotocatalyticperformance:absorbinglowenergyphotons,rapidlytransferringenergycarriers.Furthermore,thefeaturesofelectronicstructuresofbismuthatecompoundsarewellreflectedbytheabsorptionspectra,whichcouldbeconfirmedbyexperimentalmeasurementsinpractice.Combinedwiththecalculatedresults,itcouldbeconsideredthatthecrystalstructuresandcompositionsofthephotocatalystdeterminetheelectronicstructuresandopticalproperties,andsubsequentlydeterminethecorrespondingphotocatalyticperformance.Thus,anovelBi-basedphotocatalystdrivenbyvisible-lightcouldbedesignedbyutilizingspecificcompositionstoformfavorableelectronicstructuresorspecificmicro-structurestoformabeneficialchannelforenergycarriers.

  • 标签: 电子结构 光催化剂 光催化性能 弱相互作用 计算结果 NA
  • 简介:Li0.33MnO2cathodematerialwassynthesizedbysolidstatereaction.Thematerialshowedasmallcoherentdomainsizeabout10nmdeterminedbyX-raydiffractionandtransmissionelectronmicroscopy.Theelectrochemicalpropertiesofthematerialwerestudiedindifferentpotentialwindowsof3.5―2.0Vand4.3―2.0V.Anirreversibletransformationtospinelphasewasobservedintheinitialseveralcycles,whichwasmoreprominentoncyclingat4.3―2.0V.ElectrochemicalimpedancespectroscopyshowedthattheLi+diffusioncoefficientofthematerialwasabout2×10–9cm2/s.Li0.33MnO2showedareversibledischargecapacityof140and200mA·h/ginthepotentialwindowsof3.5―2.0Vand4.3―2.0V,respectively.Butthecapacityretentionat4.3―2.0Vwaspoorduetothethickerspinellayerformedonthematerialsurface.

  • 标签: 固相合成反应 电化学性能 Windows 正极材料 视窗 尖晶石相