锂离子电池负极材料的分子设计与新材料研究进展

材料导报, 2013, 27(7): 1-5.

锂离子电池负极材料的分子设计与新材料研究进展

侯贤华 ^1, , 唐小琴 ^2, , 张苗 ^3, , 胡社军 ^4, , 岳敏 ^5,

1.华南师范大学物理与电信工程学院,广州510006;电化学储能材料与技术教育部工程研究中心,广州510006

2.华南师范大学物理与电信工程学院,广州510006;电化学储能材料与技术教育部工程研究中心,广州510006

3.华南师范大学物理与电信工程学院,广州510006;电化学储能材料与技术教育部工程研究中心,广州510006

4.华南师范大学物理与电信工程学院,广州510006;电化学储能材料与技术教育部工程研究中心,广州510006

5.深圳市贝特瑞新能源材料股份有限公司,深圳518106

基金项目: 广东高校优秀青年创新人才培育项目(2012LYM_00481) 国家自然科学基金(51201066,51171065) 广东省自然科学基金(S2012020010937)

关键词：锂离子电池 , 分子设计 , 负极材料

Molecular Design and Research Progress of New Materials for Anode Materials in Lithium Ion Battery

对锂电池复杂材料体系进行量子力学的从头计算一直是材料和物理科学研究的重要方向.主要总结了近年来采用密度泛函理论和第一性原理平面波赝势法对锂电负极材料进行分子设计方面的研究,同时也介绍了本课题组在金属合金类负极材料方面的理论计算研究.最后从应用的角度全面综述了常规锂离子电池负极材料的研究现状和发展,包括碳类材料(天然石墨、人造石墨、中间相炭微球)、金属基合金材料(硅基、锡基等)和钛酸锂负极材料等.

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