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    • Graphene/Li-ion battery

    石墨烯/锂离子电池

    2 约16页 pdf
    出版日期： 2017
    标签： adsorption density functional theory electrochemical electrodes graphene lithium

    出版日期:2012

    作者单位:NarjesKheirabadi1andAzizollahShafiekhani2,31DepartmentofPhysics,IAU,NorthernTehranBranch,Tehran1667934783,Iran2PhysicsDepartment,AlzahraUniversity,Vanak,Tehran1993893973,Iran3SchoolofPhysics,InstituteforResearchinFundamentalSciences(IPM),P.O.Box:19395-5531,Tehran,Iran
    杂志名称:Journal of Applied Physics
    卷号:112
    期数:12
    刊号:0021-8979
    出版日期:2012

    简介:DensityfunctiontheorycalculationswerecarriedouttoclarifystoragestatesofLithium(Li)ionsingrapheneclusters.Theadsorptionenergy,spinpolarization,chargedistribution,electronicgap,surfacecurvature,anddipolemomentumwerecalculatedforeachcluster.Li-ionadsorbedgraphene,dopedbyoneLiatomisspinpolarized,sotherewouldbedifferentgapsfordifferentspinpolarizationinelectrons.Calculationresultsdemonstratedthatasmallerclusterbetweeneachtwolargerclustersispreferable,becauseitcouldimprovegrapheneLi-ionbatteries;consequently,themostpropergrapheneanodestructurehasbeenproposed.

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