Atomic-Resolution Visualization of Distinctive Chemical Mixing Behavior of Ni, Co, and Mn with Li in Layered Lithium Transition-Metal Oxide Cathode Materials
Atomic-Resolution Visualization of Distinctive Chemical Mixing Behavior of Ni, Co, and Mn with Li in Layered Lithium Transition-Metal Oxide Cathode Materials
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层状锂过渡金属氧化物正极材料中镍、钴和锰与锂独特化学混合行为的原子分辨率可视化
DOI：
10.1021/acs.chemmater.5b02016
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发表时间：
2015-07
影响因子：
8.6
通讯作者：
Wang Chong-Min
中科院分区：
文献类型：
--
作者：
Yan Pengfei;Zheng Jianming;Lv Dongping;Wei Yi;Zheng Jiaxin;Wang Zhiguo;Kuppan Saravanan;Yu Jianguo;Luo Langli;Edwards Danny;Olszta Matthew;Amine Khalil;Liu Jun;Xiao Jie;Pan Feng;Chen Guoying;Zhang Ji-Guang;Wang Chong-Min
锂过渡金属氧化物层状结构阴极的容量和电压衰减与过渡金属离子的晶格位置和迁移行为密切相关。然而，几乎不清楚这些过渡金属离子中的每一种在这类阴极材料中的行为。我们报告直接原子分辨率可视化的过渡金属（镍，钴，锰）和锂离子的层状结构的氧化物阴极的锂离子电池的原子间层混合。使用具有像差校正的扫描透射电子显微镜（STEM）的化学成像和密度泛函理论计算，我们发现，在层状阴极中，Mn和Co倾向于几乎完全驻留在结构中的过渡金属（TM）层的晶格位置处或与Li混合的很少的层间。相反，Ni显示出与Li的高度层间混合。镍离子的分数驻留在锂层，其次是近线性依赖于总镍浓度。
Capacity and voltage fading of layered structured cathode based on lithium transition-metal oxide is closely related to the lattice position and migration behavior of the transition-metal ions. However, it is scarcely clear about the behavior of each of these transition-metal ions in this category of cathode material. We report direct atomic resolution visualization of interatomic layer mixing of transition metals (Ni, Co, Mn) and lithium ions in layered structured oxide cathodes for lithium-ion batteries. Using chemical imaging with an aberration-corrected scanning transmission electron microscope (STEM) and density function theory calculations, we discovered that, in the layered cathodes, Mn and Co tend to reside almost exclusively at the lattice site of transition-metal (TM) layer in the structure or little interlayer mixing with Li. In contrast, Ni shows a high degree of interlayer mixing with Li. The fraction of Ni ions resides in the Li layer followed by a near linear dependence on total Ni concentr...
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影响因子：
3.7
作者：
X. Xiang;James C. Knight;Weishan Li;A. Manthiram
通讯作者：
X. Xiang;James C. Knight;Weishan Li;A. Manthiram
影响因子：
--
作者：
H. Kobayashi;H. Sakaebe;H. Kageyama;K. Tatsumi;Y. Arachi;T. Kamiyama
通讯作者：
H. Kobayashi;H. Sakaebe;H. Kageyama;K. Tatsumi;Y. Arachi;T. Kamiyama
影响因子：
--
作者：
J. Reed;G. Ceder;Anton Van der Ven
通讯作者：
J. Reed;G. Ceder;Anton Van der Ven
影响因子：
9.5
作者：
Zheng, Jianming;Kan, Wang Hay;Manthiram, Arumugam
通讯作者：
Manthiram, Arumugam
影响因子：
3.9
作者：
Fell, Christopher R.;Carroll, Kyler J.;Meng, Ying Shirley
通讯作者：
Meng, Ying Shirley