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张鼎

作品数:2 被引量:9H指数:1
供职机构:哈尔滨工业大学化工学院应用化学系更多>>
发文基金:黑龙江省自然科学基金黑龙江省科技攻关计划项目更多>>
相关领域:一般工业技术电气工程金属学及工艺理学更多>>

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LiNi_(0.5)Co_(0.5)O_2体系的结构稳定化作用和独立充放电机理
2007年
为了解释锂离子二次电池正极材料LiNi_(0.5)Co_(0.5)O_2具有的优良充放电循环性能和高比容量特征,采用基于密度泛函理论(DFT)的第一性原理计算方法对LiNi_(0.5)Co_(0.5)O_2和LiNiO_2的相关特性进行了研究。结果表明LiNi_(0.5)Co_(0.5)O_2的结构稳定性优于LiNiO2的原因在于充放电过程中体系中Ni、Co离子交替存在的价电子构型t_(2g)~6e_g^0。依据LiNi_(0.5)Co_(0.5)O_2体系中Ni离子和Co离子相互独立的电极反应提出了适用于LiNixCo_1-xO_2(0≤x≤1)体系的独立充放电机理(0.2C、3.0 ̄4.2VvsLi+/Li),并得到实验的证实。
顾大明张鼎付宏刚
关键词:正极材料密度泛函理论
LiCoO_2梯度包覆LiNi_(0.96)Co_(0.04)O_2电极材料的电化学性能被引量:9
2005年
LiCoO2 gradient coated LiNi0.96Co0.04O2 material and iso-structure LiNi0.8Co0.2O2 material (the same molar ratio 8/2 of Ni/Co in the two materials) as cathode for lithium-ion batteries were synthesized with a co-precipitation method. Microstructure of iso-structure LiNi0.8Co0.2O2 were about the same as that of LiNiO2, and the structure of the coated material was much more similar to that of LiCoO2 based on the X-ray diffraction patterns. The cycling voltammetry and galvanostatic cycle tests show that the properties of the coated material were improved significantly. The first specific charge and discharge capacity for the coated material was 249.20 mAh·g-1 and 207.90 mAh·g-1 respectively, and the specific discharge capacity for the 100th cycle was still 186.02 mAh·g-1 with an irreversible loss of only 21.1 mAh·g-1. This showed that the new material had a good lithium intercalation-deintrercalation performance. Meanwhile, the mechanism of the sintering reaction was proposed. During the sintering reaction of the precursor with LiOH, the Li+-ion permeated into the body of precursors because the shape of the precursor particles was not changed basically based on scanning electronic microscopy. So, the layer microstructure of the precursor is important for the layer microstructure of lithium nickel cobalt oxides electrode material.
顾大明史鹏飞宋振业张鼎
关键词:LICOO2LINI0.8CO0.2O2电化学性能电极材料包覆LINIO2
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