Improving LiNiO2 cathode performance through particle design and optimization

Kim, Minkyung; Zou, Lianfeng; Son, Seoung-Bum; Bloom, Ira D.; Wang, Chongmin; Chen, Guoying

doi:10.1039/d2ta02492f

Title: Improving LiNiO₂ cathode performance through particle design and optimization

Journal Article · 17 May 2022 · Journal of Materials Chemistry. A

DOI: https://doi.org/10.1039/d2ta02492f · OSTI ID:1882661

Kim, Minkyung ^[1]; Zou, Lianfeng ^[2]; Son, Seoung-Bum ^[3]; Bloom, Ira D. ^[3];

^[2];

^[4]

Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Kwangwoon University, Seoul (Korea, Republic of)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Argonne National Laboratory (ANL), Argonne, IL (United States)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

We report to enable further development of Ni-rich LiNi_xMn_yCo_1-x-yO₂ (NMC, x ≥ 0.9) cathodes for commercial applications, fundamental understanding of the synthesis–property–performance relationships in the LiNiO₂ (LNO) parent phase is essential. In the present study, we report synthesis approaches to produce well-formed, similar-sized single-crystal LiNiO₂ (SC-LNO) with different shapes and dominating surface facets, and reveal the dependence of cathode rate performance and cycling stability on particle morphology and surface. While octahedron-shaped SC-LNO with the (012) surface shows better rate capability and improved ability in utilizing the kinetically slow anodic process in the 3.5 V region, cubic-shaped SC-LNO with the (104) surface delivers superior cycling stability, especially upon cycling at a high upper cutoff voltage of 4.6 V. Improvement in cycling stability is correlated with reduced surface reconstruction and preferential LiF formation through the interaction with the electrolyte on the (104) surface. Our study not only demonstrates the importance of particle morphology and surface design, it also provides key insights into desirable material properties for developing future LNO-based cathode materials with better performance.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

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

Grant/Contract Number:: AC02-05CH11231; AC02-06CH11357; AC05-76RL01830

OSTI ID:: 1882661

Report Number(s):: PNNL-SA-171069

Journal Information:: Journal of Materials Chemistry. A, Journal Name: Journal of Materials Chemistry. A Journal Issue: 24 Vol. 10; ISSN 2050-7488

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

References (50)

Developments in Nanostructured Cathode Materials for High-Performance Lithium-Ion Batteries Wang, Ying; Cao, Guozhong Advanced Materials, Vol. 20, Issue 12 https://doi.org/10.1002/adma.200702242	journal	June 2008
High‐Nickel NMA: A Cobalt‐Free Alternative to NMC and NCA Cathodes for Lithium‐Ion Batteries Li, Wangda; Lee, Steven; Manthiram, Arumugam Advanced Materials, Vol. 32, Issue 33 https://doi.org/10.1002/adma.202002718	journal	July 2020
Surface/Interface Structure Degradation of Ni‐Rich Layered Oxide Cathodes toward Lithium‐Ion Batteries: Fundamental Mechanisms and Remedying Strategies Liang, Longwei; Zhang, Wenheng; Zhao, Fei Advanced Materials Interfaces, Vol. 7, Issue 3 https://doi.org/10.1002/admi.201901749	journal	December 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
Phase Behavior during Electrochemical Cycling of Ni‐Rich Cathode Materials for Li‐Ion Batteries Xu, Chao; Reeves, Philip J.; Jacquet, Quentin Advanced Energy Materials, Vol. 11, Issue 7 https://doi.org/10.1002/aenm.202003404	journal	December 2020
High-Energy W-Doped Li[Ni0.95Co0.04Al0.01]O2 Cathodes for Next-Generation Electric Vehicles Kim, Un-Hyuck; Park, Nam-Yung; Park, Geon-Tae Energy Storage Materials, Vol. 33 https://doi.org/10.1016/j.ensm.2020.08.013	journal	December 2020
Designing In-Situ-Formed Interphases Enables Highly Reversible Cobalt-Free LiNiO2 Cathode for Li-ion and Li-metal Batteries Deng, Tao; Fan, Xiulin; Cao, Longsheng Joule, Vol. 3, Issue 10 https://doi.org/10.1016/j.joule.2019.08.004	journal	October 2019
Designing principle for Ni-rich cathode materials with high energy density for practical applications Xia, Yu; Zheng, Jianming; Wang, Chongmin Nano Energy, Vol. 49 https://doi.org/10.1016/j.nanoen.2018.04.062	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
Improving the reversibility of the H2-H3 phase transitions for layered Ni-rich oxide cathode towards retarded structural transition and enhanced cycle stability Wu, Feng; Liu, Na; Chen, Lai Nano Energy, Vol. 59 https://doi.org/10.1016/j.nanoen.2019.02.027	journal	May 2019
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
Impact of Aluminum Added to Ni-Based Positive Electrode Materials by Dry Particle Fusion Geng, Chenxi; Liu, Aaron; Dahn, Jeff R. Chemistry of Materials, Vol. 32, Issue 14 https://doi.org/10.1021/acs.chemmater.0c01728	journal	July 2020
First-Principles Simulation of the (Li–Ni–Vacancy)O Phase Diagram and Its Relevance for the Surface Phases in Ni-Rich Li-Ion Cathode Materials Das, Hena; Urban, Alexander; Huang, Wenxuan Chemistry of Materials, Vol. 29, Issue 18 https://doi.org/10.1021/acs.chemmater.7b02546	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
A Mg-Doped High-Nickel Layered Oxide Cathode Enabling Safer, High-Energy-Density Li-Ion Batteries Xie, Qiang; Li, Wangda; Manthiram, Arumugam Chemistry of Materials, Vol. 31, Issue 3 https://doi.org/10.1021/acs.chemmater.8b03900	journal	January 2019
Promises and Challenges of Next-Generation “Beyond Li-ion” Batteries for Electric Vehicles and Grid Decarbonization Tian, Yaosen; Zeng, Guobo; Rutt, Ann Chemical Reviews, Vol. 121, Issue 3 https://doi.org/10.1021/acs.chemrev.0c00767	journal	December 2020
Cathode Electrolyte Interphase Formation and Electrolyte Oxidation Mechanism for Ni-Rich Cathode Materials Takahashi, Ikuma; Kiuchi, Hisao; Ohma, Atsushi The Journal of Physical Chemistry C, Vol. 124, Issue 17 https://doi.org/10.1021/acs.jpcc.0c02198	journal	April 2020
Surface Structure, Morphology, and Stability of Li(Ni _1/3 Mn _1/3 Co _1/3 )O ₂ Cathode Material Garcia, Juan C.; Bareño, Javier; Yan, Jianhua The Journal of Physical Chemistry C, Vol. 121, Issue 15 https://doi.org/10.1021/acs.jpcc.7b00896	journal	April 2017
Electronic Structure of LiCoO ₂ Surfaces and Effect of Al Substitution Hong, Liang; Hu, Linhua; Freeland, John W. The Journal of Physical Chemistry C, Vol. 123, Issue 14 https://doi.org/10.1021/acs.jpcc.8b11661	journal	March 2019
Atomic-Scale Observation of O1 Faulted Phase-Induced Deactivation of LiNiO ₂ at High Voltage Wang, Chunyang; Zhang, Rui; Kisslinger, Kim Nano Letters, Vol. 21, Issue 8 https://doi.org/10.1021/acs.nanolett.1c00862	journal	April 2021
Facet-Dependent Thermal Instability in LiCoO ₂ Sharifi-Asl, Soroosh; Soto, Fernando A.; Nie, Anmin Nano Letters, Vol. 17, Issue 4 https://doi.org/10.1021/acs.nanolett.6b04502	journal	March 2017
Understanding Reactivities of Ni-Rich Li[Ni _x Mn _y Co _{1– x – y} ]O ₂ Single-Crystal Cathode Materials Kim, Minkyung; Zhu, Jian; Li, Linze ACS Applied Energy Materials, Vol. 3, Issue 12 https://doi.org/10.1021/acsaem.0c02278	journal	November 2020
Structural and Electrochemical Impacts of Mg/Mn Dual Dopants on the LiNiO ₂ Cathode in Li-Metal Batteries Mu, Linqin; Kan, Wang Hay; Kuai, Chunguang ACS Applied Materials & Interfaces, Vol. 12, Issue 11 https://doi.org/10.1021/acsami.0c00111	journal	March 2020
Complementary Effects of Mg and Cu Incorporation in Stabilizing the Cobalt-Free LiNiO ₂ Cathode for Lithium-Ion Batteries Seong, Won Mo; Manthiram, Arumugam ACS Applied Materials & Interfaces, Vol. 12, Issue 39 https://doi.org/10.1021/acsami.0c11413	journal	September 2020
Synthesis of LiNiO ₂ at Moderate Oxygen Pressure and Long-Term Cyclability in Lithium-Ion Full Cells Mesnier, Alex; Manthiram, Arumugam ACS Applied Materials & Interfaces, Vol. 12, Issue 47 https://doi.org/10.1021/acsami.0c16648	journal	November 2020
Further Improving Coulombic Efficiency and Discharge Capacity in LiNiO ₂ Material by Activating Sluggish ∼3.5 V Discharge Reaction Bae, Changgeun; Dupre, Nicolas; Kang, Byoungwoo ACS Applied Materials & Interfaces, Vol. 13, Issue 20 https://doi.org/10.1021/acsami.1c04359	journal	May 2021
Theoretical Prediction of Surface Stability and Morphology of LiNiO ₂ Cathode for Li Ion Batteries Cho, Eunseog; Seo, Seung-Woo; Min, Kyoungmin ACS Applied Materials & Interfaces, Vol. 9, Issue 38 https://doi.org/10.1021/acsami.7b08563	journal	September 2017
Ab Initio Study on Surface Segregation and Anisotropy of Ni-Rich LiNi _{1–2 y} Co _y Mn _y O ₂ (NCM) ( y ≤ 0.1) Cathodes Liang, Chaoping; Longo, Roberto C.; Kong, Fantai ACS Applied Materials & Interfaces, Vol. 10, Issue 7 https://doi.org/10.1021/acsami.7b17424	journal	February 2018
Electrolyte Regulating toward Stabilization of Cobalt-Free Ultrahigh-Nickel Layered Oxide Cathode in Lithium-Ion Batteries Zhang, Xianhui; Jia, Hao; Zou, Lianfeng ACS Energy Letters, Vol. 6, Issue 4 https://doi.org/10.1021/acsenergylett.1c00374	journal	March 2021
Rock-Salt Growth-Induced (003) Cracking in a Layered Positive Electrode for Li-Ion Batteries Zhang, Hanlei; Omenya, Fredrick; Yan, Pengfei ACS Energy Letters, Vol. 2, Issue 11 https://doi.org/10.1021/acsenergylett.7b00907	journal	October 2017
Self-Passivation of a LiNiO ₂ Cathode for a Lithium-Ion Battery through Zr Doping Yoon, Chong S.; Kim, Un-Hyuck; Park, Geon-Tae ACS Energy Letters, Vol. 3, Issue 7 https://doi.org/10.1021/acsenergylett.8b00805	journal	June 2018
Tunable Morphology Synthesis of LiFePO ₄ Nanoparticles as Cathode Materials for Lithium Ion Batteries Ma, Zhipeng; Shao, Guangjie; Fan, Yuqian ACS Applied Materials & Interfaces, Vol. 6, Issue 12 https://doi.org/10.1021/am501373h	journal	June 2014
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
Tailoring the Morphology of LiCoO ₂ : A First Principles Study Kramer, Denis; Ceder, Gerbrand Chemistry of Materials, Vol. 21, Issue 16 https://doi.org/10.1021/cm9008943	journal	August 2009
Suppression of Phase Separation in LiFePO ₄ Nanoparticles During Battery Discharge Bai, Peng; Cogswell, Daniel A.; Bazant, Martin Z. Nano Letters, Vol. 11, Issue 11 https://doi.org/10.1021/nl202764f	journal	November 2011
Intragranular cracking as a critical barrier for high-voltage usage of layer-structured cathode for lithium-ion batteries Yan, Pengfei; Zheng, Jianming; Gu, Meng Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms14101	journal	January 2017
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
A reflection on lithium-ion battery cathode chemistry Manthiram, Arumugam Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-15355-0	journal	March 2020
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
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
Ultra-high-voltage Ni-rich layered cathodes in practical Li metal batteries enabled by a sulfonamide-based electrolyte Xue, Weijiang; Huang, Mingjun; Li, Yutao Nature Energy, Vol. 6, Issue 5 https://doi.org/10.1038/s41560-021-00792-y	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
Single-crystal based studies for correlating the properties and high-voltage performance of Li[Ni _x Mn _y Co _1−x−y ]O ₂ cathodes Zhu, Jian; Chen, Guoying Journal of Materials Chemistry A, Vol. 7, Issue 10 https://doi.org/10.1039/C8TA10329A	journal	January 2019
Suppressing detrimental phase transitions via tungsten doping of LiNiO ₂ cathode for next-generation lithium-ion batteries Ryu, Hoon-Hee; Park, Geon-Tae; Yoon, Chong S. Journal of Materials Chemistry A, Vol. 7, Issue 31 https://doi.org/10.1039/C9TA06402H	journal	January 2019
Strain-driven surface reconstruction and cation segregation in layered Li(Ni _1−x−y Mn _x Co _y )O ₂ (NMC) cathode materials Garcia, Juan C.; Bareño, Javier; Chen, Guoying Physical Chemistry Chemical Physics, Vol. 22, Issue 42 https://doi.org/10.1039/D0CP03942J	journal	January 2020
The sensitive surface chemistry of Co-free, Ni-rich layered oxides: identifying experimental conditions that influence characterization results Mu, Linqin; Yang, Zhenzhong; Tao, Lei Journal of Materials Chemistry A, Vol. 8, Issue 34 https://doi.org/10.1039/D0TA06375D	journal	January 2020
Sulfone Based-Electrolytes for Lithium-Ion Batteries: Cycling Performances and Passivation Layer Quality of Graphite and LiNi _1/3 Mn _1/3 Co _1/3 O ₂ Electrodes Flamme, Benjamin; Światowska, Jolanta; Haddad, Mansour Journal of The Electrochemical Society, Vol. 167, Issue 7 https://doi.org/10.1149/1945-7111/ab63c3	journal	January 2020
Synthesis and Electrochemical Performance Analysis of LiNiO ₂ Cathode Material Using Taylor-Couette Flow-Type Co-Precipitation Method Heo, Kookjin; Lee, Jongkwan; Song, Young-Woong Journal of The Electrochemical Society, Vol. 168, Issue 1 https://doi.org/10.1149/1945-7111/abd91a	journal	January 2021
Updating the Structure and Electrochemistry of Li _x NiO ₂ for 0 ≤ x ≤ 1 Li, Hongyang; Zhang, Ning; Li, Jing Journal of The Electrochemical Society, Vol. 165, Issue 13 https://doi.org/10.1149/2.0381813jes	journal	January 2018

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Title: Improving LiNiO2 cathode performance through particle design and optimization

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References (50)

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Title: Improving LiNiO₂ cathode performance through particle design and optimization