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Facilitating Lithium-Ion Diffusion in Layered Cathode Materials by Introducing Li+/Ni2+ Antisite Defects for High-Rate Li-Ion Batteries.

ABSTRACT: Li+/Ni2+ antisite defects mainly resulting from their similar ionic radii in the layered nickel-rich cathode materials belong to one of cation disordering scenarios. They are commonly considered harmful to the electrochemical properties, so a minimum degree of cation disordering is usually desired. However, this study indicates that LiNi0.8Co0.15Al0.05O2 as the key material for Tesla batteries possesses the highest rate capability when there is a minor degree (2.3%) of Li+/Ni2+ antisite defects existing in its layered structure. By combining a theoretical calculation, the improvement mechanism is attributed to two effects to decrease the activation barrier for lithium migration: (1) the anchoring of a low fraction of high-valence Ni2+ ions in the Li slab pushes uphill the nearest Li+ ions and (2) the same fraction of low-valence Li+ ions in the Ni slab weakens the repulsive interaction to the Li+ ions at the saddle point.

SUBMITTER: Tang Z 

PROVIDER: S-EPMC6946265 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature

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Facilitating Lithium-Ion Diffusion in Layered Cathode Materials by Introducing Li<sup>+</sup>/Ni<sup>2+</sup> Antisite Defects for High-Rate Li-Ion Batteries.

Tang Zhongfeng Z   Wang Sen S   Liao Jiaying J   Wang Shuo S   He Xiaodong X   Pan Bicai B   He Haiyan H   Chen Chunhua C  

Research (Washington, D.C.) 20190915

Li<sup>+</sup>/Ni<sup>2+</sup> antisite defects mainly resulting from their similar ionic radii in the layered nickel-rich cathode materials belong to one of cation disordering scenarios. They are commonly considered harmful to the electrochemical properties, so a minimum degree of cation disordering is usually desired. However, this study indicates that LiNi<sub>0.8</sub>Co<sub>0.15</sub>Al<sub>0.05</sub>O<sub>2</sub> as the key material for Tesla batteries possesses the highest rate capability  ...[more]

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