Effect of the grain arrangements on the thermal stability of polycrystalline nickel-rich lithium-based battery cathodes

Hou, Dong; Xu, Zhengrui; Yang, Zhijie; Kuai, Chunguang; Du, Zhijia; Sun, Cheng-Jun; Ren, Yang; Liu, Jue; Xiao, Xianghui; Lin, Feng

doi:10.1038/s41467-022-30935-y

Effect of the grain arrangements on the thermal stability of polycrystalline nickel-rich lithium-based battery cathodes

Journal Article · Wed Jun 15 00:00:00 UTC 2022 · Nature Communications

DOI:https://doi.org/10.1038/s41467-022-30935-y· OSTI ID:1885265

^[1]; Xu, Zhengrui ^[1]; ^[1]; Kuai, Chunguang ^[1]; ^[2]; Sun, Cheng-Jun ^[3]; Ren, Yang ^[3]; ^[2]; ^[4]; ^[1]

Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
City Univ. of Hong Kong, Kowloon (Hong Kong)
Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)

One of the most challenging aspects of developing high-energy lithium-based batteries is the structural and (electro)chemical stability of Ni-rich active cathode materials at thermally-abused and prolonged cell cycling conditions. Here, we report in situ physicochemical characterizations to improve the fundamental understanding of the degradation mechanism of charged polycrystalline Ni-rich cathodes at elevated temperatures (e.g., ≥ 40 °C). Using multiple microscopy, scattering, thermal, and electrochemical probes, we decouple the major contributors for the thermal instability from intertwined factors. Our research work demonstrates that the grain microstructures play an essential role in the thermal stability of polycrystalline lithium-based positive battery electrodes. We also show that the oxygen release, a crucial process during battery thermal runaway, can be regulated by engineering grain arrangements. Furthermore, the grain arrangements can also modulate the macroscopic crystallographic transformation pattern and oxygen diffusion length in layered oxide cathode materials.

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; AC02-76SF00515; AC05-00OR22725; SC0012704

OSTI ID:: 1885265

Alternate ID(s):: OSTI ID: 1887541

Report Number(s):: BNL-223305-2022-JAAM

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 13; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

References (37)

Combining In Situ Synchrotron X-Ray Diffraction and Absorption Techniques with Transmission Electron Microscopy to Study the Origin of Thermal Instability in Overcharged Cathode Materials for Lithium-Ion Batteries Nam, Kyung-Wan; Bak, Seong-Min; Hu, Enyuan Advanced Functional Materials, Vol. 23, Issue 8 https://doi.org/10.1002/adfm.201200693	journal	June 2012
Atomic Insights into the Enhanced Surface Stability in High Voltage Cathode Materials by Ultrathin Coating Fang, Xin; Lin, Feng; Nordlund, Dennis Advanced Functional Materials, Vol. 27, Issue 7 https://doi.org/10.1002/adfm.201602873	journal	January 2017
New Insight into Microstructure Engineering of Ni‐Rich Layered Oxide Cathode for High Performance Lithium Ion Batteries Jung, Chul‐Ho; Kim, Do‐Hoon; Eum, Donggun Advanced Functional Materials, Vol. 31, Issue 18 https://doi.org/10.1002/adfm.202010095	journal	February 2021
Quantification of Heterogeneous Degradation in Li‐Ion Batteries Yang, Yang; Xu, Rong; Zhang, Kai Advanced Energy Materials, Vol. 9, Issue 25 https://doi.org/10.1002/aenm.201900674	journal	May 2019
Recent Progress and Perspective of Advanced High‐Energy Co‐Less Ni‐Rich Cathodes for Li‐Ion Batteries: Yesterday, Today, and Tomorrow Choi, Ji Ung; Voronina, Natalia; Sun, Yang‐Kook Advanced Energy Materials, Vol. 10, Issue 42 https://doi.org/10.1002/aenm.202002027	journal	September 2020
Probing Dopant Redistribution, Phase Propagation, and Local Chemical Changes in the Synthesis of Layered Oxide Battery Cathodes Yang, Zhijie; Mu, Linqin; Hou, Dong Advanced Energy Materials, Vol. 11, Issue 1 https://doi.org/10.1002/aenm.202002719	journal	November 2020
Room Temperature to 150 ° C Lithium Metal Batteries Enabled by a Rigid Molecular Ionic Composite Electrolyte Yu, Deyang; Pan, Xiaona; Bostwick, Joshua E. Advanced Energy Materials, Vol. 11, Issue 12 https://doi.org/10.1002/aenm.202003559	journal	February 2021
There and Back Again-The Journey of LiNiO ₂ as a Cathode Active Material Bianchini, Matteo; Roca-Ayats, Maria; Hartmann, Pascal Angewandte Chemie International Edition, Vol. 58, Issue 31 https://doi.org/10.1002/anie.201812472	journal	May 2019
X-ray absorption spectroscopy to analyze nuclear geometry and electronic structure of biological metal centers?potential and questions examined with special focus on the tetra-nuclear manganese complex of oxygenic photosynthesis Dau, Holger; Liebisch, Peter; Haumann, Michael Analytical and Bioanalytical Chemistry, Vol. 376, Issue 5 https://doi.org/10.1007/s00216-003-1982-2	journal	July 2003
Unlocking the self-supported thermal runaway of high-energy lithium-ion batteries Hou, Junxian; Feng, Xuning; Wang, Li Energy Storage Materials, Vol. 39 https://doi.org/10.1016/j.ensm.2021.04.035	journal	August 2021
Toxicity, a serious concern of thermal runaway from commercial Li-ion battery Sun, Jie; Li, Jigang; Zhou, Tian Nano Energy, Vol. 27 https://doi.org/10.1016/j.nanoen.2016.06.031	journal	September 2016
Chemomechanical interplay of layered cathode materials undergoing fast charging in lithium batteries Xia, Sihao; Mu, Linqin; Xu, Zhengrui Nano Energy, Vol. 53 https://doi.org/10.1016/j.nanoen.2018.09.051	journal	November 2018
Thermal runaway mechanism of lithium-ion battery with LiNi0.8Mn0.1Co0.1O2 cathode materials Li, Yan; Liu, Xiang; Wang, Li Nano Energy, Vol. 85 https://doi.org/10.1016/j.nanoen.2021.105878	journal	July 2021
To get the most out of high resolution X-ray tomography: A review of the post-reconstruction analysis Liu, Yijin; Kiss, Andrew M.; Larsson, Daniel H. Spectrochimica Acta Part B: Atomic Spectroscopy, Vol. 117 https://doi.org/10.1016/j.sab.2016.01.002	journal	March 2016
Mesoscale Battery Science: The Behavior of Electrode Particles Caught on a Multispectral X-ray Camera Wei, Chenxi; Xia, Sihao; Huang, Hai Accounts of Chemical Research, Vol. 51, Issue 10 https://doi.org/10.1021/acs.accounts.8b00123	journal	June 2018
High-Energy Ni-Rich Li[Ni _x Co _y Mn _{1 –x–y} ]O ₂ Cathodes via Compositional Partitioning for Next-Generation Electric Vehicles Yoon, Chong S.; Park, Kang-Joon; Kim, Un-Hyuck Chemistry of Materials, Vol. 29, Issue 24 https://doi.org/10.1021/acs.chemmater.7b04047	journal	November 2017
Capacity Fading of Ni-Rich Li[Ni _x Co _y Mn _{1– x – y} ]O ₂ (0.6 ≤ x ≤ 0.95) Cathodes for High-Energy-Density Lithium-Ion Batteries: Bulk or Surface Degradation? Ryu, Hoon-Hee; Park, Kang-Joon; Yoon, Chong S. Chemistry of Materials, Vol. 30, Issue 3 https://doi.org/10.1021/acs.chemmater.7b05269	journal	January 2018
Atomic Insight into the Layered/Spinel Phase Transformation in Charged LiNi _0.80 Co _0.15 Al _0.05 O ₂ Cathode Particles Zhang, Hanlei; Karki, Khim; Huang, Yiqing The Journal of Physical Chemistry C, Vol. 121, Issue 3 https://doi.org/10.1021/acs.jpcc.6b10220	journal	January 2017
Oxygen Release Induced Chemomechanical Breakdown of Layered Cathode Materials Mu, Linqin; Lin, Ruoqian; Xu, Rong Nano Letters, Vol. 18, Issue 5 https://doi.org/10.1021/acs.nanolett.8b01036	journal	April 2018
Beyond Doping and Coating: Prospective Strategies for Stable High-Capacity Layered Ni-Rich Cathodes Sun, H. Hohyun; Ryu, Hoon-Hee; Kim, Un-Hyuck ACS Energy Letters, Vol. 5, Issue 4 https://doi.org/10.1021/acsenergylett.0c00191	journal	March 2020
Extending the Battery Life Using an Al-Doped Li[Ni _0.76 Co _0.09 Mn _0.15 ]O ₂ Cathode with Concentration Gradients for Lithium Ion Batteries Kim, Un-Hyuck; Myung, Seung-Taek; Yoon, Chong S. ACS Energy Letters, Vol. 2, Issue 8 https://doi.org/10.1021/acsenergylett.7b00613	journal	July 2017
Capacity Fading of Ni-Rich NCA Cathodes: Effect of Microcracking Extent Nam, Gyeong Won; Park, Nam-Yung; Park, Kang-Joon ACS Energy Letters, Vol. 4, Issue 12 https://doi.org/10.1021/acsenergylett.9b02302	journal	October 2019
Structural Changes and Thermal Stability of Charged LiNi _x Mn _y Co _z O ₂ Cathode Materials Studied by Combined In Situ Time-Resolved XRD and Mass Spectroscopy Bak, Seong-Min; Hu, Enyuan; Zhou, Yongning ACS Applied Materials & Interfaces, Vol. 6, Issue 24 https://doi.org/10.1021/am506712c	journal	December 2014
Challenges for Rechargeable Li Batteries Goodenough, John B.; Kim, Youngsik Chemistry of Materials, Vol. 22, Issue 3, p. 587-603 https://doi.org/10.1021/cm901452z	journal	February 2010
Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries Xu, Kang Chemical Reviews, Vol. 104, Issue 10, p. 4303-4418 https://doi.org/10.1021/cr030203g	journal	October 2004
Issues and challenges facing rechargeable lithium batteries Tarascon, J.-M.; Armand, M. Nature, Vol. 414, Issue 6861, p. 359-367 https://doi.org/10.1038/35104644	journal	November 2001
Lithium batteries: To the limits of lithium Evarts, Eric C. Nature, Vol. 526, Issue 7575 https://doi.org/10.1038/526S93a	journal	October 2015
High-energy cathode material for long-life and safe lithium batteries Sun, Yang-Kook; Myung, Seung-Taek; Park, Byung-Chun Nature Materials, Vol. 8, Issue 4 https://doi.org/10.1038/nmat2418	journal	March 2009
Charge distribution guided by grain crystallographic orientations in polycrystalline battery materials Xu, Zhengrui; Jiang, Zhisen; Kuai, Chunguang Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-019-13884-x	journal	January 2020
Fundamental understanding and practical challenges of anionic redox activity in Li-ion batteries Assat, Gaurav; Tarascon, Jean-Marie Nature Energy, Vol. 3, Issue 5 https://doi.org/10.1038/s41560-018-0097-0	journal	April 2018
Heuristic solution for achieving long-term cycle stability for Ni-rich layered cathodes at full depth of discharge Kim, Un-Hyuck; Park, Geon-Tae; Son, Byoung-Ki Nature Energy, Vol. 5, Issue 11 https://doi.org/10.1038/s41560-020-00693-6	journal	September 2020
Intrinsic Origins of Crack Generation in Ni-rich LiNi0.8Co0.1Mn0.1O2 Layered Oxide Cathode Material Lim, Jin-Myoung; Hwang, Taesoon; Kim, Duho Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/srep39669	journal	January 2017
Multiscale modeling and characterization for performance and safety of lithium-ion batteries Pannala, S.; Turner, J. A.; Allu, S. Journal of Applied Physics, Vol. 118, Issue 7 https://doi.org/10.1063/1.4927817	journal	August 2015
One-minute nano-tomography using hard X-ray full-field transmission microscope Ge, Mingyuan; Coburn, David Scott; Nazaretski, Evgeny Applied Physics Letters, Vol. 113, Issue 8 https://doi.org/10.1063/1.5048378	journal	August 2018
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Versatile compact heater design for in situ nano-tomography by transmission X-ray microscopy Antonelli, Stephen; Ronne, Arthur; Han, Insung Journal of Synchrotron Radiation, Vol. 27, Issue 3 https://doi.org/10.1107/S1600577520004567	journal	April 2020
TXM-Sandbox : an open-source software for transmission X-ray microscopy data analysis Xiao, Xianghui; Xu, Zhengrui; Lin, Feng Journal of Synchrotron Radiation, Vol. 29, Issue 1 https://doi.org/10.1107/S1600577521011978	journal	January 2022

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