Locking oxygen in lattice: A quantifiable comparison of gas generation in polycrystalline and single crystal Ni-rich cathodes

Hu, Jiangtao; Li, Linze; Bi, Yujing; Tao, Jinhui; Lochala, Joshua A.; Liu, Dianying; Wu, Bingbin; Cao, Xia; Chae, Sujong; Wang, Chongmin; Xiao, Jie

doi:10.1016/j.ensm.2022.02.025

Title: Locking oxygen in lattice: A quantifiable comparison of gas generation in polycrystalline and single crystal Ni-rich cathodes

Journal Article · 12 February 2022 · Energy Storage Materials

DOI: https://doi.org/10.1016/j.ensm.2022.02.025 · OSTI ID:1963902

Hu, Jiangtao ^[1]; Li, Linze ^[2];

^[2];

^[2]; Lochala, Joshua A. ^[2]; Liu, Dianying ^[2]; Wu, Bingbin ^[2];

^[2]; Chae, Sujong ^[2];

^[2];

^[3]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Shenzhen Univ. (China)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Univ. of Washington, Seattle, WA (United States)

High-energy Ni-rich NMC (LiNi_xMn_yCo_1-x-yO₂, x ≥ 0.6) is a very promising cathode material in Li-ion batteries but the gas generation during cycling is a significant safety concern and becomes the major roadblock of the large-scale commercialization of Ni-rich NMC cathode materials. Micron-sized single crystal Ni-rich NMC has a potential to address the common issues that polycrystals have. However, it is unknown if gassing issue will be mitigated or even eliminated by using single crystals, not mentioning a quantifiable understanding of gas generation from single crystals and polycrystals. This work takes LiNi_0.76Mn_0.14Co_0.1O₂ (NMC76) as a model material to study the mechanism of gas generation from single crystal and polycrystalline NMC by using both coin cells and pouch cells, which provides different conclusions on the generated gases, highlighting the importance of using relevant testing conditions for fundamental diagnostic study on battery materials. Further, the information from single crystal NMC also provides critical insights from material perspective to enhance the safety attributes of Ni-rich NMC cathodes.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1963902

Report Number(s):: PNNL-SA-163635

Journal Information:: Energy Storage Materials, Journal Name: Energy Storage Materials Vol. 47; ISSN 2405-8297

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (38)

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
Boosting Reaction Homogeneity in High‐Energy Lithium‐Ion Battery Cathode Materials Cha, Hyungyeon; Kim, Junhyeok; Lee, Hyomyung Advanced Materials, Vol. 32, Issue 39 https://doi.org/10.1002/adma.202003040	journal	August 2020
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
Low pressure carbon dioxide solubility in lithium-ion batteries based electrolytes as a function of temperature. Measurement and prediction Dougassa, Yvon Rodrigue; Tessier, Cécile; El Ouatani, Loubna The Journal of Chemical Thermodynamics, Vol. 61 https://doi.org/10.1016/j.jct.2012.12.025	journal	June 2013
Achieving highly reproducible results in graphite-based Li-ion full coin cells Hu, Jiangtao; Wu, Bingbin; Chae, Sujong Joule, Vol. 5, Issue 5 https://doi.org/10.1016/j.joule.2021.03.016	journal	May 2021
Oxygen, hydrogen, ethylene and CO2 development in lithium-ion batteries Holzapfel, M.; Würsig, A.; Scheifele, W. Journal of Power Sources, Vol. 174, Issue 2 https://doi.org/10.1016/j.jpowsour.2007.06.182	journal	December 2007
Investigation of the rechargeability of Li–O2 batteries in non-aqueous electrolyte Xiao, Jie; Hu, Jianzhi; Wang, Deyu Journal of Power Sources, Vol. 196, Issue 13 https://doi.org/10.1016/j.jpowsour.2011.02.060	journal	July 2011
Comparison of the structural and electrochemical properties of layered Li[NixCoyMnz]O2 (x = 1/3, 0.5, 0.6, 0.7, 0.8 and 0.85) cathode material for lithium-ion batteries Noh, Hyung-Joo; Youn, Sungjune; Yoon, Chong Seung Journal of Power Sources, Vol. 233 https://doi.org/10.1016/j.jpowsour.2013.01.063	journal	July 2013
Singlet oxygen evolution from layered transition metal oxide cathode materials and its implications for lithium-ion batteries Wandt, Johannes; Freiberg, Anna T. S.; Ogrodnik, Alexander Materials Today, Vol. 21, Issue 8 https://doi.org/10.1016/j.mattod.2018.03.037	journal	October 2018
Effect of calcination temperature on the electrochemical properties of nickel-rich LiNi0.76Mn0.14Co0.10O2 cathodes for lithium-ion batteries Zheng, Jianming; Yan, Pengfei; Estevez, Luis Nano Energy, Vol. 49 https://doi.org/10.1016/j.nanoen.2018.04.077	journal	July 2018
Effect of electrolyte composition on rock salt surface degradation in NMC cathodes during high-voltage potentiostatic holds Tornheim, Adam; Sharifi-Asl, Soroosh; Garcia, Juan C. Nano Energy, Vol. 55 https://doi.org/10.1016/j.nanoen.2018.10.065	journal	January 2019
Mesoscale-architecture-based crack evolution dictating cycling stability of advanced lithium ion batteries Hu, Jiangtao; Li, Linze; Hu, Enyuan Nano Energy, Vol. 79 https://doi.org/10.1016/j.nanoen.2020.105420	journal	January 2021
Online Continuous Flow Differential Electrochemical Mass Spectrometry with a Realistic Battery Setup for High-Precision, Long-Term Cycling Tests Berkes, Balázs B.; Jozwiuk, Anna; Vračar, Miloš Analytical Chemistry, Vol. 87, Issue 12 https://doi.org/10.1021/acs.analchem.5b01237	journal	May 2015
Impact of Microcrack Generation and Surface Degradation on a Nickel-Rich Layered Li[Ni _0.9 Co _0.05 Mn _0.05 ]O ₂ Cathode for Lithium-Ion Batteries Sun, Ho-Hyun; Manthiram, Arumugam Chemistry of Materials, Vol. 29, Issue 19 https://doi.org/10.1021/acs.chemmater.7b03268	journal	September 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
Chemical versus Electrochemical Electrolyte Oxidation on NMC111, NMC622, NMC811, LNMO, and Conductive Carbon Jung, Roland; Metzger, Michael; Maglia, Filippo The Journal of Physical Chemistry Letters, Vol. 8, Issue 19 https://doi.org/10.1021/acs.jpclett.7b01927	journal	September 2017
Origin, Nature, and the Dynamic Behavior of Nanoscale Vacancy Clusters in Ni-Rich Layered Oxide Cathodes Li, Linze; Hu, Jiangtao; Xiao, Jie ACS Applied Materials & Interfaces, Vol. 13, Issue 16 https://doi.org/10.1021/acsami.1c02294	journal	April 2021
Origin of Carbon Dioxide Evolved during Cycling of Nickel-Rich Layered NCM Cathodes Hatsukade, Toru; Schiele, Alexander; Hartmann, Pascal ACS Applied Materials & Interfaces, Vol. 10, Issue 45 https://doi.org/10.1021/acsami.8b13158	journal	October 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
Unraveling the Cationic and Anionic Redox Reactions in a Conventional Layered Oxide Cathode Li, Ning; Sallis, Shawn; Papp, Joseph K. ACS Energy Letters, Vol. 4, Issue 12 https://doi.org/10.1021/acsenergylett.9b02147	journal	October 2019
Structural Origin of Overcharge-Induced Thermal Instability of Ni-Containing Layered-Cathodes for High-Energy-Density Lithium Batteries Wu, Lijun; Nam, Kyung-Wan; Wang, Xiaojian Chemistry of Materials, Vol. 23, Issue 17 https://doi.org/10.1021/cm201452q	journal	September 2011
Residual Lithium Carbonate Predominantly Accounts for First Cycle CO ₂ and CO Outgassing of Li-Stoichiometric and Li-Rich Layered Transition-Metal Oxides Renfrew, Sara E.; McCloskey, Bryan D. Journal of the American Chemical Society, Vol. 139, Issue 49 https://doi.org/10.1021/jacs.7b08461	journal	November 2017
Increased Stability Toward Oxygen Reduction Products for Lithium-Air Batteries with Oligoether-Functionalized Silane Electrolytes Zhang, Zhengcheng; Lu, Jun; Assary, Rajeev S. The Journal of Physical Chemistry C, Vol. 115, Issue 51 https://doi.org/10.1021/jp2087412	journal	December 2011
Twin Problems of Interfacial Carbonate Formation in Nonaqueous Li–O ₂ Batteries McCloskey, B. D.; Speidel, A.; Scheffler, R. The Journal of Physical Chemistry Letters, Vol. 3, Issue 8 https://doi.org/10.1021/jz300243r	journal	March 2012
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
Building ultraconformal protective layers on both secondary and primary particles of layered lithium transition metal oxide cathodes Xu, Gui-Liang; Liu, Qiang; Lau, Kenneth K. S. Nature Energy, Vol. 4, Issue 6 https://doi.org/10.1038/s41560-019-0387-1	journal	May 2019
Reactive boride infusion stabilizes Ni-rich cathodes for lithium-ion batteries Yoon, Moonsu; Dong, Yanhao; Hwang, Jaeseong Nature Energy, Vol. 6, Issue 4 https://doi.org/10.1038/s41560-021-00782-0	journal	March 2021
Bulk fatigue induced by surface reconstruction in layered Ni-rich cathodes for Li-ion batteries Xu, Chao; Märker, Katharina; Lee, Juhan Nature Materials, Vol. 20, Issue 1 https://doi.org/10.1038/s41563-020-0767-8	journal	August 2020
Gassing in Li4Ti5O12-based batteries and its remedy He, Yan-Bing; Li, Baohua; Liu, Ming Scientific Reports, Vol. 2, Issue 1 https://doi.org/10.1038/srep00913	journal	December 2012
Hierarchical Porous LiNi1/3Co1/3Mn1/3O2 Nano-/Micro Spherical Cathode Material: Minimized Cation Mixing and Improved Li+ Mobility for Enhanced Electrochemical Performance Chen, Zhen; Wang, Jin; Chao, Dongliang Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep25771	journal	May 2016
A dual-functional gel-polymer electrolyte for lithium ion batteries with superior rate and safety performances Li, Xilin; Qian, Kun; He, Yan-Bing Journal of Materials Chemistry A, Vol. 5, Issue 35 https://doi.org/10.1039/C7TA04415A	journal	January 2017
Reversible planar gliding and microcracking in a single-crystalline Ni-rich cathode Bi, Yujing; Tao, Jinhui; Wu, Yuqin Science, Vol. 370, Issue 6522 https://doi.org/10.1126/science.abc3167	journal	December 2020
In Situ Investigation of the Electrochemical Reduction of Carbonate Electrolyte Solutions at Graphite Electrodes Imhof, Roman; Novák, Petr Journal of The Electrochemical Society, Vol. 145, Issue 4, p. 1081-1087 https://doi.org/10.1149/1.1838420	journal	January 1998
Electrochemical Study of Functional Additives for Li-Ion Batteries Khodr, Zaynab; Mallet, Charlotte; Daigle, Jean-Christophe Journal of The Electrochemical Society, Vol. 167, Issue 12 https://doi.org/10.1149/1945-7111/abae92	journal	January 2020
Oxygen Release and Its Effect on the Cycling Stability of LiNi _x Mn _y Co _z O ₂ (NMC) Cathode Materials for Li-Ion Batteries Jung, Roland; Metzger, Michael; Maglia, Filippo Journal of The Electrochemical Society, Vol. 164, Issue 7 https://doi.org/10.1149/2.0021707jes	journal	January 2017
Combinations of Ethylene Sulfite (ES) and Vinylene Carbonate (VC) as Electrolyte Additives in Li(Ni _1/3 Mn _1/3 Co _1/3 )O ₂ /Graphite Pouch Cells Xia, J.; Aiken, C. P.; Ma, L. Journal of The Electrochemical Society, Vol. 161, Issue 6 https://doi.org/10.1149/2.108406jes	journal	January 2014
Origin of H ₂ Evolution in LIBs: H ₂ O Reduction vs. Electrolyte Oxidation Metzger, Michael; Strehle, Benjamin; Solchenbach, Sophie Journal of The Electrochemical Society, Vol. 163, Issue 5 https://doi.org/10.1149/2.1151605jes	journal	January 2016
Temperature Dependence of Oxygen Release from LiNi _0.6 Mn _0.2 Co _0.2 O ₂ (NMC622) Cathode Materials for Li-Ion Batteries Jung, Roland; Strobl, Philipp; Maglia, Filippo Journal of The Electrochemical Society, Vol. 165, Issue 11 https://doi.org/10.1149/2.1261811jes	journal	January 2018

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Title: Locking oxygen in lattice: A quantifiable comparison of gas generation in polycrystalline and single crystal Ni-rich cathodes

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