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.

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.

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Li—Li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。

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.

简介：研究了电感耦合等离子体原子发射光谱（ICP-AES）法测定Al-Cu-Li系合金中Cu、Li、Ag、Mg和Zr的方法。对样品溶解、共存元素干扰、基体效应进行了研究。采用硝酸和过量盐酸溶解试样,选择Cu324.752nm、Li670.784nm、Ag328.068nm、Mg285.213nm和Zr343.823nm作为分析线。配制标准工作曲线溶液时用纯铝打底消除基体效应。Cu、Li、Ag、Mg和Zr的分析范围分别为0.10%-4.00%、0.10%-2.00%、0.10%-1.00%、0.10%-1.00%和0.01%-0.50%,各元素的检出限均小于0.01μg/mL,加标回收率在94%-106%,相对标准偏差均小于2%,用于标准物质的测定,结果与认定值一致。

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简介：采用自洽场离散变分Xa(SCC-DV-Xa)方法对纯V2O5及夹层V2O5的能带结构、态密度、键强度、电子集居数等进行了研究.结果表明，Li+引入V2O2层间的最佳位置是在双键氧之下(或之上)，且靠近层的中心位置，此时它与周围原子间的作用力非常微弱，并且材料的导电性增强，使夹层复合材料Li+注入/脱出具有很好的可逆性和较好的光学性质.

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简介：Athree-dimensionalfew-layerreducedgrapheneoxide-wrappedmesoporousLi4Ti5O12（m-LTO@FLRGO）electrodeisproducedusingasimplesolutionfabricationprocess.WhentestedasananodeforLiionbatteries,them-LTO@FL-RGOcompositeexhibitsexcellentratecapabilityandsuperiorcyclelife.Thecapacityofm-LTO@FL-RGOreaches165.4mAhg-1after100cyclesbetween1and2.5Vatarateof1C.Evenatarateof30C,ahighdischargecapacityof115.1mAhg-1isstillobtained,whichisthreetimeshigherthanthepristinemesoporousLi4Ti5O12（m-LTO）.Thegraphenenanosheetsareincorporatedintothem-LTOmicrosphereshomogenously,whichprovideahighconductivenetworkforelectrontransportation.

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简介：利用Gaussian-94计算程序中的B3LYP方法,在6-311+G(2d)6d基组下,对Si5,Si5H3,Si5H6,Si5Li3和Si5Na3原子簇的几何结构进行优化和频率计算.结果表明,Si5原子簇中最稳定的具有D3h对称性的结构中,位于同一平面上的3个Si原子确实具有剩余的成键能力,可以与3个H,Li,Na原子和6个H原子形成稳定的化合物.研究还发现,虽然H,Li和Na都属同一主族,但它们与Si5原子簇中Si原子的键连方式却不同,而且它们的加入,对Si5原子簇的'三角双锥'结构也有不同的影响.

简介：提出了一种求解离子晶体等价格点的单粒子离子Dirac方程方法，确定离子晶体的点电荷电量。利用阴阳离子上分配的价电子数之比，给出了计算离子晶体化学键性质的关单式计算了MX（M=Li、Na、K、Rb、X=F、Cl、Br、I）系列晶体点电产电量值和化学键性质，得到了比较好的结果