Computational modeling of coupled mechanical damage and electrochemistry in ternary oxide composite electrodes

Han, Jiaxiu; Sharma, Nikhil; Zhao, Kejie

doi:10.1016/j.jpowsour.2023.234034

Title: Computational modeling of coupled mechanical damage and electrochemistry in ternary oxide composite electrodes

Journal Article · 01 March 2024 · Journal of Power Sources

DOI: https://doi.org/10.1016/j.jpowsour.2023.234034 · OSTI ID:2281299

Han, Jiaxiu; Sharma, Nikhil;

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0024064

OSTI ID:: 2281299

Journal Information:: Journal of Power Sources, Journal Name: Journal of Power Sources Vol. 595 Journal Issue: C; ISSN 0378-7753

Publisher:: ElsevierCopyright Statement

Country of Publication:: Netherlands

Language:: English

References (44)

Anisotropic Lattice Strain and Mechanical Degradation of High- and Low-Nickel NCM Cathode Materials for Li-Ion Batteries Kondrakov, Aleksandr O.; Schmidt, Alexander; Xu, Jin The Journal of Physical Chemistry C, Vol. 121, Issue 6 https://doi.org/10.1021/acs.jpcc.6b12885	journal	February 2017
Observation of Microstructural Evolution in Li Battery Cathode Oxide Particles by In Situ Electron Microscopy Miller, Dean J.; Proff, Christian; Wen, J. G. Advanced Energy Materials, Vol. 3, Issue 8 https://doi.org/10.1002/aenm.201300015	journal	May 2013
Investigation into Mechanical Degradation and Fatigue of High-Ni NCM Cathode Material: A Long-Term Cycling Study of Full Cells Schweidler, Simon; de Biasi, Lea; Garcia, Grecia ACS Applied Energy Materials, Vol. 2, Issue 10 https://doi.org/10.1021/acsaem.9b01354	journal	September 2019
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
Measurement and modeling of the mechanical and electrochemical response of amorphous Si thin film electrodes during cyclic lithiation Bucci, Giovanna; Nadimpalli, Siva P. V.; Sethuraman, Vijay A. Journal of the Mechanics and Physics of Solids, Vol. 62 https://doi.org/10.1016/j.jmps.2013.10.005	journal	January 2014
Modeling Coupled Chemo-Mechanical Behavior of Randomly Oriented NMC811 Polycrystalline Li-Ion Battery Cathodes Taghikhani, Kasra; Weddle, Peter J.; Berger, J. R. Journal of The Electrochemical Society, Vol. 168, Issue 8 https://doi.org/10.1149/1945-7111/ac1811	journal	August 2021
Quantitative spatiotemporal Li profiling using nanoindentation de Vasconcelos, Luize Scalco; Xu, Rong; Zhao, Kejie Journal of the Mechanics and Physics of Solids, Vol. 144 https://doi.org/10.1016/j.jmps.2020.104102	journal	November 2020
Modeling Lithium Intercalation of Single-Fiber Carbon Microelectrodes Verbrugge, Mark W. Journal of The Electrochemical Society, Vol. 143, Issue 2 https://doi.org/10.1149/1.1836486	journal	January 1996
Disintegration of Meatball Electrodes for LiNi x Mn y Co z O2 Cathode Materials Xu, R.; de Vasconcelos, L. S.; Shi, J. Experimental Mechanics, Vol. 58, Issue 4 https://doi.org/10.1007/s11340-017-0292-0	journal	May 2017
Synthesis of Spherical and Dense Particles of the Pure Hydroxide Phase Ni[sub 1∕3]Mn[sub 1∕3]Co[sub 1∕3](OH)[sub 2] van Bommel, Andrew; Dahn, J. R. Journal of The Electrochemical Society, Vol. 156, Issue 5 https://doi.org/10.1149/1.3079366	journal	January 2009
Microstructural Adjusting Crack Evolution of Polycrystalline NCM Particle during Charge/Discharge Cycle Tian, Hao; Gao, Li Ting; Guo, Zhan-Sheng Journal of The Electrochemical Society, Vol. 169, Issue 9 https://doi.org/10.1149/1945-7111/ac8ee3	journal	September 2022
Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries Lin, Feng; Markus, Isaac M.; Nordlund, Dennis Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4529	journal	March 2014
Computational analysis of chemomechanical behaviors of composite electrodes in Li-ion batteries Xu, Rong; Scalco de Vasconcelos, Luize; Zhao, Kejie Journal of Materials Research, Vol. 31, Issue 18 https://doi.org/10.1557/jmr.2016.302	journal	August 2016
Elastic and electronic properties of hexagonal rhenium sub-nitrides Re3N and Re2N in comparison with hcp-Re and wurtzite-like rhenium mononitride ReN Bannikov, Vyacheslav V.; Shein, Igor R.; Ivanovskii, Alexander L. physica status solidi (b), Vol. 248, Issue 6 https://doi.org/10.1002/pssb.201046564	journal	January 2011
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
Electro-chemo-mechanical finite-element model of single-crystal and polycrystalline NMC cathode particles embedded in an argyrodite solid electrolyte Taghikhani, Kasra; Weddle, Peter J.; Hoffman, Robert M. Electrochimica Acta, Vol. 460 https://doi.org/10.1016/j.electacta.2023.142585	journal	August 2023
Modeling of Galvanostatic Charge and Discharge of the Lithium/Polymer/Insertion Cell Doyle, Marc Journal of The Electrochemical Society, Vol. 140, Issue 6 https://doi.org/10.1149/1.2221597	journal	January 1993
Mutual modulation between surface chemistry and bulk microstructure within secondary particles of nickel-rich layered oxides Li, Shaofeng; Jiang, Zhisen; Han, Jiaxiu Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-18278-y	journal	September 2020
Mechanical and Structural Degradation of LiNi _x Mn _y Co _z O ₂ Cathode in Li-Ion Batteries: An Experimental Study Xu, Rong; Sun, Hong; de Vasconcelos, Luize Scalco Journal of The Electrochemical Society, Vol. 164, Issue 13 https://doi.org/10.1149/2.1751713jes	journal	January 2017
In-Situ Nanoindentation Measurement of Local Mechanical Behavior of a Li-Ion Battery Cathode in Liquid Electrolyte de Vasconcelos, L. S.; Sharma, N.; Xu, R. Experimental Mechanics, Vol. 59, Issue 3 https://doi.org/10.1007/s11340-018-00451-6	journal	November 2018
Mechanical interactions regulated kinetics and morphology of composite electrodes in Li-ion batteries Xu, Rong; Zhao, Kejie Extreme Mechanics Letters, Vol. 8 https://doi.org/10.1016/j.eml.2015.10.004	journal	September 2016
Chemomechanics of Rechargeable Batteries: Status, Theories, and Perspectives de Vasconcelos, Luize Scalco; Xu, Rong; Xu, Zhengrui Chemical Reviews, Vol. 122, Issue 15 https://doi.org/10.1021/acs.chemrev.2c00002	journal	July 2022
Fundamental and solutions of microcrack in Ni-rich layered oxide cathode materials of lithium-ion batteries Yin, Shouyi; Deng, Wentao; Chen, Jun Nano Energy, Vol. 83 https://doi.org/10.1016/j.nanoen.2021.105854	journal	May 2021
Computational Modeling of Electrochemomechanics of High-Capacity Composite Electrodes in Li-Ion Batteries Shah, Sameep Rajubhai; de Vasconcelos, Luize Scalco; Zhao, Kejie Journal of Applied Mechanics, Vol. 89, Issue 8 https://doi.org/10.1115/1.4054759	journal	June 2022
Assessment of the Wettability of Porous Electrodes for Lithium-Ion Batteries Wu, Mao-Sung; Liao, Tzu-Ling; Wang, Yung-Yun Journal of Applied Electrochemistry, Vol. 34, Issue 8 https://doi.org/10.1023/B:JACH.0000035599.56679.15	journal	August 2004
Structural Evolution and Transition Dynamics in Lithium Ion Battery under Fast Charging: An Operando Neutron Diffraction Investigation Wu, Xianyang; Song, Bohang; Chien, Po‐Hsiu Advanced Science, Vol. 8, Issue 21 https://doi.org/10.1002/advs.202102318	journal	September 2021
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
A linear theory of thermochemical equilibrium of solids under stress Larché, F.; Cahn, J. W. Acta Metallurgica, Vol. 21, Issue 8 https://doi.org/10.1016/0001-6160(73)90021-7	journal	August 1973
Chemo-mechanical modeling of inter- and intra-granular fracture in heterogeneous cathode with polycrystalline particles for lithium-ion battery Singh, Avtar; Pal, Siladitya Journal of the Mechanics and Physics of Solids, Vol. 163 https://doi.org/10.1016/j.jmps.2022.104839	journal	June 2022
Quantifying the influence of charge rate and cathode-particle architectures on degradation of Li-ion cells through 3D continuum-level damage models Allen, Jeffery M.; Weddle, Peter J.; Verma, Ankit Journal of Power Sources, Vol. 512 https://doi.org/10.1016/j.jpowsour.2021.230415	journal	November 2021
Intergranular Cracking as a Major Cause of Long-Term Capacity Fading of Layered Cathodes Liu, Hao; Wolf, Mark; Karki, Khim Nano Letters, Vol. 17, Issue 6 https://doi.org/10.1021/acs.nanolett.7b00379	journal	May 2017
Li-ion battery materials: present and future Nitta, Naoki; Wu, Feixiang; Lee, Jung Tae Materials Today, Vol. 18, Issue 5 https://doi.org/10.1016/j.mattod.2014.10.040	journal	June 2015
Evolution of Structure and Lithium Dynamics in LiNi _0.8 Mn _0.1 Co _0.1 O ₂ (NMC811) Cathodes during Electrochemical Cycling Märker, Katharina; Reeves, Philip J.; Xu, Chao Chemistry of Materials, Vol. 31, Issue 7 https://doi.org/10.1021/acs.chemmater.9b00140	journal	March 2019
Direct measurements of size-independent lithium diffusion and reaction times in individual polycrystalline battery particles Min, Jinhong; Gubow, Lindsay M.; Hargrave, Riley J. Energy & Environmental Science, Vol. 16, Issue 9 https://doi.org/10.1039/D3EE00953J	journal	January 2023
Essential effect of the electrolyte on the mechanical and chemical degradation of LiNi_0.8Co_0.15Al_0.05O₂ cathodes upon long-term cycling Liu, Xiaoming; Zhan, Xiaowen; Hood, Zachary D. Journal of Materials Chemistry A, Vol. 9, Issue 4 https://doi.org/10.1039/D0TA07814J	journal	January 2021
Corrosive fracture of electrodes in Li-ion batteries Xu, Rong; Zhao, Kejie Journal of the Mechanics and Physics of Solids, Vol. 121 https://doi.org/10.1016/j.jmps.2018.07.021	journal	December 2018
Analysis of electrolyte imbibition through lithium-ion battery electrodes Davoodabadi, Ali; Li, Jianlin; Liang, Yongfeng Journal of Power Sources, Vol. 424 https://doi.org/10.1016/j.jpowsour.2019.03.115	journal	June 2019
High‐Voltage Charging‐Induced Strain, Heterogeneity, and Micro‐Cracks in Secondary Particles of a Nickel‐Rich Layered Cathode Material Mao, Yuwei; Wang, Xuelong; Xia, Sihao Advanced Functional Materials, Vol. 29, Issue 18 https://doi.org/10.1002/adfm.201900247	journal	March 2019
Nanoindentation measurements of anisotropic mechanical properties of single crystalline NMC cathodes for Li-ion batteries Sharma, Nikhil; Meng, Dechao; Wu, Xianyang Extreme Mechanics Letters, Vol. 58 https://doi.org/10.1016/j.eml.2022.101920	journal	January 2023
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
Asynchronous-to-Synchronous Transition of Li Reactions in Solid-Solution Cathodes Sharma, Nikhil; Vasconcelos, Luize Scalco de; Hassan, Shadad Nano Letters, Vol. 22, Issue 14 https://doi.org/10.1021/acs.nanolett.2c01818	journal	July 2022
Influence of NCM Particle Cracking on Kinetics of Lithium-Ion Batteries with Liquid or Solid Electrolyte Ruess, Raffael; Schweidler, Simon; Hemmelmann, Hendrik Journal of The Electrochemical Society, Vol. 167, Issue 10 https://doi.org/10.1149/1945-7111/ab9a2c	journal	June 2020
Automotive Li-Ion Batteries: Current Status and Future Perspectives Ding, Yuanli; Cano, Zachary P.; Yu, Aiping Electrochemical Energy Reviews, Vol. 2, Issue 1 https://doi.org/10.1007/s41918-018-0022-z	journal	January 2019
In-Situ Visualization of the Transition Metal Dissolution in Layered Cathodes Qian, Guannan; Zan, Guibin; Li, Jizhou Journal of Electrochemical Energy Conversion and Storage, Vol. 19, Issue 4 https://doi.org/10.1115/1.4054584	journal	June 2022

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