摘要
在总结近十年来文献的基础上,详细阐述了定化学计量比的钴酸锂的两种物相HT-LiCoO_2和LT-LiCoO_2的晶体结构,依据Pauling 规则从配位多面体能量的角度分析了热力学相对稳定性,同时反映了理论界对此所持的异议,希望通过确定稳定相来确定合成何种物相可使锂离子蓄电池获得更长的使用寿命;介绍了钴酸锂在充放电过程中脱锂态产物晶体结构变化规律存在的较大争议,侧重介绍利用第一原理和从头计算的方法,从能量角度分析脱锂态钴酸锂的晶体结构,希望通过稳定层状结构来提高抗过充性和导电性能。
On the base of summarizing documents in last decades,the article described crystal structure of stoichiometric HT-LiCoO2 and LT-LiCoO2 in detail, analysed thermodynamics stability in terms of coordinate polyhedron according to Pauling rule, and also reported different views of the stability, wishing to increase life-span of Li-ion battery by synthesizing stable phase. The article introduced the controversy about the crystal structure variation during electrochemical cycling, and emphasized on the delithiated LiCoO2 in terms of energy according to first-principle and ab initio, wishing to increase the overcharge resistante and conductivity by stablelizing layered structure.
出处
《电源技术》
CAS
CSCD
北大核心
2005年第3期187-192,共6页
Chinese Journal of Power Sources
基金
信息产业部基金资助项目(0204 ZM 0046)
