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

Zhongfeng Tang; Sen Wang; Jiaying Liao; Shuo Wang; Xiaodong He; Bicai Pan; Haiyan He; Chunhua Chen

doi:10.34133/2019/2198906

Research (Jan 2019)

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

Zhongfeng Tang,
Sen Wang,
Jiaying Liao,
Shuo Wang,
Xiaodong He,
Bicai Pan,
Haiyan He,
Chunhua Chen

Affiliations

Zhongfeng Tang: CAS Key Laboratory of Materials for Energy Conversions, Department of Materials Science and Engineering & Collaborative Innovation Center of Suzhou Nano Science and Technology, University of Science and Technology of China, Anhui Hefei 230026, China
Sen Wang: School of Physical Sciences, University of Science and Technology of China, Anhui Hefei 230026, China
Jiaying Liao: CAS Key Laboratory of Materials for Energy Conversions, Department of Materials Science and Engineering & Collaborative Innovation Center of Suzhou Nano Science and Technology, University of Science and Technology of China, Anhui Hefei 230026, China
Shuo Wang: CAS Key Laboratory of Materials for Energy Conversions, Department of Materials Science and Engineering & Collaborative Innovation Center of Suzhou Nano Science and Technology, University of Science and Technology of China, Anhui Hefei 230026, China
Xiaodong He: CAS Key Laboratory of Materials for Energy Conversions, Department of Materials Science and Engineering & Collaborative Innovation Center of Suzhou Nano Science and Technology, University of Science and Technology of China, Anhui Hefei 230026, China
Bicai Pan: School of Physical Sciences, University of Science and Technology of China, Anhui Hefei 230026, China
Haiyan He: School of Physical Sciences, University of Science and Technology of China, Anhui Hefei 230026, China
Chunhua Chen: CAS Key Laboratory of Materials for Energy Conversions, Department of Materials Science and Engineering & Collaborative Innovation Center of Suzhou Nano Science and Technology, University of Science and Technology of China, Anhui Hefei 230026, China

DOI: https://doi.org/10.34133/2019/2198906
Journal volume & issue: Vol. 2019

Abstract

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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.

Published in Research

ISSN: 2096-5168 (Print); 2639-5274 (Online)
Publisher: American Association for the Advancement of Science (AAAS)
Country of publisher: United States
LCC subjects: Science
Website: https://spj.science.org/journal/research

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