Intragranular cracking as a critical barrier for high-voltage usage of layer-structured cathode for lithium-ion batteries

Yan, Pengfei; Zheng, Jianming; Gu, Meng; Xiao, Jie; Zhang, Ji -Guang; Wang, Chong -Min

doi:10.1038/ncomms14101

Title: Intragranular cracking as a critical barrier for high-voltage usage of layer-structured cathode for lithium-ion batteries

Journal Article · 16 January 2017 · Nature Communications

DOI: https://doi.org/10.1038/ncomms14101 · OSTI ID:1339807

Yan, Pengfei ^[1]; Zheng, Jianming ^[1]; Gu, Meng ^[1]; Xiao, Jie ^[1];

^[1]; Wang, Chong -Min ^[1]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

LiNi_1/3Mn_1/3Co_1/3O₂ (NMC333) layered cathode is often fabricated as secondary particles of consisting of densely packed primary particles, which offers advantage of high energy density and alleviation of cathode side reactions/corrosions, but introduces other drawbacks, such as intergranular cracking. Here, we report unexpected observations on the nucleation and growth of intragranular cracks in the commercial NMC333 layered cathode by using advanced S/TEM. We found that the formation of the intragranular cracks is directly associated with high voltage cycling, which is an electrochemically driven and diffusion controlled process. The intragranular cracks were noticed to be characteristically initiated from grain interior, a consequence of dislocation based crack incubation mechanism. This observation is in sharp contrast with the general theoretical models, predicting the initiation of intragranular cracks from grain boundaries or particle surface. As a result, our study indicates that maintain a structural stability is the key step toward high voltage operation of layered cathode materials.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1339807

Report Number(s):: PNNL-SA--118952; 48379; KP1704020

Journal Information:: Nature Communications, Journal Name: Nature Communications Vol. 8; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Surface/Interfacial Structure and Chemistry of High-Energy Nickel-Rich Layered Oxide Cathodes: Advances and Perspectives Hou, Peiyu; Yin, Jiangmei; Ding, Meng Small, Vol. 13, Issue 45 https://doi.org/10.1002/smll.201701802	journal	October 2017
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Advanced Transmission Electron Microscopy for Electrode and Solid-Electrolyte Materials in Lithium-Ion Batteries Liu, Xiaozhi; Gu, Lin Small Methods, Vol. 2, Issue 8 https://doi.org/10.1002/smtd.201800006	journal	June 2018
A Novel Protective Strategy on High‐Voltage LiCoO ₂ Cathode for Fast Charging Applications: Li _1.6 Mg _1.6 Sn _2.8 O ₈ Double Layer Structure via SnO ₂ Surface Modification Wang, Mengcheng; Feng, Xuyong; Xiang, Hongfa Small Methods, Vol. 3, Issue 11 https://doi.org/10.1002/smtd.201900355	journal	May 2019
Suppressed oxygen extraction and degradation of LiNi x Mn y Co z O2 cathodes at high charge cut-off voltages Zheng, Jianming; Yan, Pengfei; Zhang, Jiandong Nano Research, Vol. 10, Issue 12 https://doi.org/10.1007/s12274-017-1761-6	journal	September 2017
Atomic-scale structural and chemical evolution of Li3V2(PO4)3 cathode cycled at high voltage window Chen, Shulin; Zou, Jian; Li, Yuehui Nano Research, Vol. 12, Issue 7 https://doi.org/10.1007/s12274-019-2421-9	journal	May 2019
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Coupling of electrochemically triggered thermal and mechanical effects to aggravate failure in a layered cathode Yan, Pengfei; Zheng, Jianming; Chen, Tianwu Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-04862-w	journal	June 2018
Three-dimensional X-ray diffraction imaging of dislocations in polycrystalline metals under tensile loading Cherukara, Mathew J.; Pokharel, Reeju; O’Leary, Timothy S. Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06166-5	journal	September 2018
Seed-mediated atomic-scale reconstruction of silver manganate nanoplates for oxygen reduction towards high-energy aluminum-air flow batteries Ryu, Jaechan; Jang, Haeseong; Park, Joohyuk Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06211-3	journal	September 2018
Anionic redox reaction in layered NaCr2/3Ti1/3S2 through electron holes formation and dimerization of S–S Wang, Tian; Ren, Guo-Xi; Shadike, Zulipiya Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-12310-6	journal	October 2019
Nucleation of dislocations and their dynamics in layered oxide cathode materials during battery charging Singer, A.; Zhang, M.; Hy, S. Nature Energy, Vol. 3, Issue 8 https://doi.org/10.1038/s41560-018-0184-2	journal	July 2018
Tailoring grain boundary structures and chemistry of Ni-rich layered cathodes for enhanced cycle stability of lithium-ion batteries Yan, Pengfei; Zheng, Jianming; Liu, Jian Nature Energy, Vol. 3, Issue 7 https://doi.org/10.1038/s41560-018-0191-3	journal	June 2018
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Progressive concentration gradient nickel-rich oxide cathode material for high-energy and long-life lithium-ion batteries Xu, Xing; Xiang, Lizhi; Wang, Liguang Journal of Materials Chemistry A, Vol. 7, Issue 13 https://doi.org/10.1039/c9ta00224c	journal	January 2019
Thermally-driven mesopore formation and oxygen release in delithiated NCA cathode particles Besli, Münir M.; Shukla, Alpesh Khushalchand; Wei, Chenxi Journal of Materials Chemistry A, Vol. 7, Issue 20 https://doi.org/10.1039/c9ta01720h	journal	January 2019
LiNi _0.90 Co _0.07 Mg _0.03 O ₂ cathode materials with Mg-concentration gradient for rechargeable lithium-ion batteries Zhang, Yudong; Li, Hang; Liu, Junxiang Journal of Materials Chemistry A, Vol. 7, Issue 36 https://doi.org/10.1039/c9ta02803j	journal	January 2019
Li ₂ Ni _0.2 Co _1.8 O ₄ having a spinel framework as a zero-strain positive electrode material for lithium-ion batteries Ariyoshi, Kingo; Orikasa, Yuki; Kajikawa, Kensuke Journal of Materials Chemistry A, Vol. 7, Issue 22 https://doi.org/10.1039/c9ta03191j	journal	January 2019
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Using in situ and operando methods to characterize phase changes in charged lithium nickel cobalt aluminum oxide cathode materials Hwang, Sooyeon; Stach, Eric A. Journal of Physics D: Applied Physics, Vol. 53, Issue 11 https://doi.org/10.1088/1361-6463/ab60ea	journal	January 2020
Electrochemomechanical Fatigue: Decoupling Mechanisms of Fracture-Induced Performance Degradation in Li _X Mn ₂ O ₄ McGrogan, Frank P.; Raja, Shilpa N.; Chiang, Yet-Ming Journal of The Electrochemical Society, Vol. 165, Issue 11 https://doi.org/10.1149/2.0191811jes	journal	January 2018
Single-Crystalline Particles: An Effective Way to Ameliorate the Intragranular Cracking, Thermal Stability, and Capacity Fading of the LiNi _0.6 Co _0.2 Mn _0.2 O ₂ Electrodes Liu, Guilong; Li, Minglu; Wu, Naiteng Journal of The Electrochemical Society, Vol. 165, Issue 13 https://doi.org/10.1149/2.0491813jes	journal	January 2018
LiFePO ₄ -Coated LiNi _0.5 Co _0.2 Mn _0.3 O ₂ Cathode Materials with Improved High Voltage Electrochemical Performance and Enhanced Safety for Lithium Ion Pouch Cells Zhu, Lei; Yan, Ting-Fang; Jia, Di Journal of The Electrochemical Society, Vol. 166, Issue 3 https://doi.org/10.1149/2.0651903jes	journal	January 2019
Laboratory-Based X-ray Absorption Spectroscopy on a Working Pouch Cell Battery at Industrially-Relevant Charging Rates Jahrman, Evan P.; Pellerin, Lisa A.; Ditter, Alexander S. Journal of The Electrochemical Society, Vol. 166, Issue 12 https://doi.org/10.1149/2.0721912jes	journal	January 2019
Nucleation of dislocations and their dynamics in layered oxide cathode materials during battery charging Singer, A.; Zhang, M.; Hy, S. Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2018-02753	text	January 2018
Cracks Formation in Lithium-Rich Cathode Materials for Lithium-Ion Batteries during the Electrochemical Process Cheng, Tao; Ma, Zhongtao; Gu, Run Energies, Vol. 11, Issue 10 https://doi.org/10.3390/en11102712	journal	October 2018
Chemical, Structural, and Electronic Aspects of Formation and Degradation Behavior on Different Length Scales of Ni‐Rich NCM and Li‐Rich HE‐NCM Cathode Materials in Li‐Ion Batteries De Biasi, Lea; Schwarz, Björn; Brezesinski, Torsten Karlsruhe https://doi.org/10.5445/ir/1000094297	text	January 2019

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Title: Intragranular cracking as a critical barrier for high-voltage usage of layer-structured cathode for lithium-ion batteries

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