Revisiting the role of Zr doping in Ni-rich layered cathodes for lithium-ion batteries

The realization of high performance Ni-rich layered cathodes remains a challenge because of the multiple degradation factors that concurrently operate during battery cycling. In particular, depletion of oxygen charge and consequent lattice-oxygen instability at deep charge state accelerate the subse...

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Bibliographic Details
Published in:Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2021-08, Vol.9 (32), p.17415-17424
Main Authors: Jung, Chul-Ho, Li, Qingtian, Kim, Do-Hoon, Eum, Donggun, Ko, Donghyun, Choi, Jonghyun, Lee, Jongwon, Kim, Kyeong-Ho, Kang, Kisuk, Yang, Wanli, Hong, Seong-Hyeon
Format: Article
Language:English
Subjects:
Batteries
Cathodes
Degradation
Depletion
Doping
Electrochemistry
ENERGY STORAGE
First principles
Lithium
Lithium-ion batteries
Oxygen
Oxygen depletion
Rechargeable batteries
Stability analysis
X ray analysis
Zirconium
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Summary:The realization of high performance Ni-rich layered cathodes remains a challenge because of the multiple degradation factors that concurrently operate during battery cycling. In particular, depletion of oxygen charge and consequent lattice-oxygen instability at deep charge state accelerate the subsequent chemomechanical degradation mechanisms. Among the proposed methodologies, doping has proven to be effective in enhancing the cathode cycle life by stabilizing the layered structure. Herein, we achieved the electrochemically stabilized Ni-rich LiNi 0.92 Co 0.04 Mn 0.04 O 2 through Zr doping, resulting in a 15% increase of the capacity retention after 100 cycles. In-depth investigations are conducted to unveil the effects of Zr doping on the layered cathode, and in particular, the critical role of Zr doping on the lattice oxygen stability is systematically studied. By combining state-of-the-art magnetometer characterization, X-ray analysis, and first-principles calculation, we reveal that Zr doping positively contributes the to lattice oxygen stability by alleviating the oxygen charge loss at deep charge, thereby improving the cathode electrochemical reversibility. Our findings provide an insight into the Zr doping mechanism and help to design Ni-rich layered oxides for future applications. The suppression of oxygen oxidation is proposed as the critical origin of Zr doping on LiNi 0.92 Co 0.04 Mn 0.04 O 2 layered oxide LIB cathode material.
ISSN:2050-7488
2050-7496
DOI:10.1039/d1ta04450h