镶嵌型Fe2O3/MCMB材料的原位合成和电极反应机理研究

项目名称： 镶嵌型Fe2O3/MCMB材料的原位合成和电极反应机理研究

项目编号： No.21276028

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 化学工业

项目作者： 刘其城

作者单位： 长沙理工大学

项目金额： 79万元

中文摘要： 项目针对纳米氧化铁负极在高倍率充放电过程中由于结构破坏引起可逆容量损失的问题，利用表面原位生长的方法合成镶嵌型Fe2O3/MCMB负极材料，系统研究Fe2O3/MCMB的镶嵌形貌、粒径大小、含量等因素对负极电化学性能及SEI膜结构与组成的影响规律；通过对Fe2O3/MCMB在不同充放电条件下微观结构的表征，结合第一性原理，揭示电极结构-充放电条件-反应机理之间的交互作用，实现在结构稳定的前提下最大限度地提高负极可逆容量与循环性能的目标，对发展高性能锂离子电池负极材料具有重要意义。

中文关键词： 氧化铁纳米晶；中间相炭微球；镶嵌型结构；比容量；结构稳定性

英文摘要： This study focuses on the loss of the reversible capacity which is brought about by the structure failure during high rate charge/discharge process. Inserted Fe2O3/MCMB (mesocarbon microbeads) anode material is synthesized via surface in situ growth method. The influences of insertion morphology, particle size, and content on the anode electrochemical performance and the SEI structure and composition are investigated in detail. The interaction of charge/discharge condition-electrode structure-reaction mechanism is revealed by characterizing the microstructure of Fe2O3/MCMB and computing based on first-principles. In that case, the stable structure as a precondition for increase of the reversible capacity and the cycle performance is realized. Accordingly, this study is of great significance for developing high-performance anode materials of Li ion batteries.

英文关键词： iron oxide nanocrystalline；mesocarbon microbeads；embeded structure；specific capacity；structural stability