Pressure-sensitive plasticity of lithiated silicon in Li-ion batteries-中国期刊网

摘要 Lithiation-inducedplasticityisakeyfactorthatenablesSielectrodestomaintainlongcyclelifeinLi-ionbatteries.Westudytheplasticityofvariouslithiatedsili-conphasesbasedonfirst-principlescalculationsandiden-tifythelineardependenceoftheequivalentyieldstressonthehydrostaticpressure.Suchdependencemaycausethecompression-tensionasymmetryinanamorphousSithinfilmelectrodefromalithiationtodelithiationcycle,andleadstosubsequentratchetingoftheelectrodeaftercycliclithiation.Weproposeayieldcriterionofamorphouslithi-atedsiliconthatincludestheeffectsofthehydrostaticstressandthelithiationreaction.Wefurtherexaminethemicro-scopicmechanismofdeformationinlithiatedsiliconundermechanicalload,whichisattributedtotheflow-defectsmediatedlocalbondswitchingandcavitation.Hydrostaticcompressionconfinestheflowdefectsthuseffectivelystrength-enstheamorphousstructure,andviceversa.

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Pressure-sensitive plasticity of lithiated silicon in Li-ion batteries

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Pressure-sensitive plasticity of lithiated silicon in Li-ion batteries

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