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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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锂离子电池碳负极中的相互作用研究
, PP. 46-50
Keywords: 锂离子电池,石墨插层化合物,DV_Xα方法
Abstract:
应用量子化学DV＿Xα方法对储锂的单锂嵌套模型,LiC6模型,LiC2模型进行计算.分析电荷密度差值图发现锂离子在碳材料中有"吸"电子效应,其所得电子一般来自它所正对的苯环碳平面.计算表明,石墨插层化合物LiC6能够稳定存在,而LiC2则较难稳定存在.
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