【摘要】 研究与开发新型的电池正极材料是锂离子电池研究中的一项重要内容,目前正极材料的研究主要集中于3种富锂的金属氧化物LiCoO2、LiNiO2和LiMn2O4。本文主要介绍了锂离子电池正极材料的合成方法,同时比较了几种不同电极材料的结构以及电化学性能,指出了其工作特点和存在问题,并对该领域的研究现状进行了简要的综述。本文还介绍了锂离子电池正极材料计算研究的进展。利用VASP软件包可计算形成能、相图、电压和材料的晶体结构参数及态密度等。更多还原

【Abstract】 It has become one of important topics to research and develop the cathode materials for lithium （Li） ion batteries. Current investigations focused mainly on three types of Li-rich metal oxides, LiCoO₂, LiNiO₂ and LiMn₂O₄. In this article, the synthesis methods of cathode materials for Li-ion batteries were summarized. The structures and electrochemical performances of several different cathode materials were compared. The characteristics and problems associated with the cathode materials were pointed out. In addition to provide a brief overview of the current research activities in the field of cathode materials, the progress in the field via a computational approach was also reviewed. The formation energy, phase diagram, voltage, crystal structural parameter and density of state can be calculated using VASP software package.更多还原