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1、《材料热力学》作业材料与能源学院材料工程xxx学号xxx文章来源:ElectrochimicaActa214(2016)56-67ACombinedThermodynamics&ComputationalMethodtoAssessLithiumCompositioninAnodeandCathodeofLithiumIonBatteries锂离子电池正极与负极锂成分的热力学计算方法WenyuZhang,LianlianJiang,PaulineVanDurmen,SomayeSaadat,RachidYazami
2、EnergyResearchlnstitute@NTU(ERIAN),NanyangTechnologicalUniversity,1CleantechLoop,CleanTechOne,#06-04,Singapore637141,SingaporeABSTRACTWithaimtoaddresstheopenquestionofaccuratedeterminationoflithiumcompositioninanodeandcathodeatadefinedstateofcharge(SOC)oflithi
3、umionbatteries(LIB),wedevelopedamethodcombiningelectrochemicalthermodynamicmeasurements(ETM)andcomputationaldatafittingprotocol.ItisacommonknowledgethatinalithiumionbatterytheSOCofanodeandcathodedifferfromtheSOCofthefull-cell.Differencesareinlargepartduetoirre
4、versiblelithiumlosseswithincellandtoelectrodemassunbalance.Thisimpliesthatthelithiumcompositionrangeinanodeandincathodeduringfullchargeanddischargecycleinfull-cellisdifferentfromthecompositionrangeachievedinlithiumhalf-cellsofanodeandcathodeovertheirrespective
5、fullSOCranges.TotheauthorsknowledgethereisnounequivocalandpracticalmethodtodeterminetheactuallithiumcompositionofelectrodesinaLIB,hencetheirSOC.Yet,accuratelithiumcompositionassessmentisfundamentalnotonlyforunderstandingthephysicsofelectrodesbutalsoforoptimizi
6、ngcellperformances,particularlyenergydensityandcyclelife.摘要这个开放性的课题旨在解决在给定的锂离子电池(LIB)的充电状态(SOC)下准确测定阳极和阴极的锂化合物组成的。我们开发了一种电化学热力学测量(ETM)与计算数据拟合相结合的方法。众所周知,半锂离子电池中的阳极和阴极的与锂电池不同。这种差异在很大程度上是由于电池内不可逆的锂损失和电极质量的不平衡。这意味着,在电池的充放电循环期间,在阳极和阴极中的锂化合物的组成与半电池的阳极和阴极锂化合物的组成是不同的
7、。据作者所知,还没有有效的方法来确定半电池的实际锂化合物的组成。然而,测量准确的锂电极的成分的对于了解电极的物理变化、优化电池的性能(特别是能量密度和循环寿命)是十分重要的。Inthisstudythermodynamicsdata,includingopen-circuitpotential(OCP),entropy(ΔS)andenthalpy(ΔH)arecollectedonfull-cellsandontheirderivedlithiumhalf-cells.Fundamentally,thetherm
8、odynamicsdataofafull-cellisthearithmeticdifferencebetweenthecorrespondingdataofcathodeandanodeachievedinhalf-cells.However,asweshowheremisfitsexistbetweenexperimentaldataandthearit