Direct Observation of Defect‐Aided Structural Evolution in a Nickel‐Rich Layered Cathode

Li, Shuang; Yao, Zhenpeng; Zheng, Jianming; Fu, Maosen; Cen, Jiajie; Hwang, Sooyeon; Jin, Huile; Orlov, Alexander; Gu, Lin; Wang, Shun; Chen, Zhongwei; Su, Dong

doi:10.1002/ange.202008144

Direct Observation of Defect‐Aided Structural Evolution in a Nickel‐Rich Layered Cathode

Journal Article · Wed Sep 23 00:00:00 EDT 2020 · Angewandte Chemie

DOI:https://doi.org/10.1002/ange.202008144· OSTI ID:1664570

^[1]; ^[2]; Zheng, Jianming ^[3]; Fu, Maosen ^[4]; Cen, Jiajie ^[5]; Hwang, Sooyeon ^[6]; ^[7]; Orlov, Alexander ^[5]; Gu, Lin ^[8]; Wang, Shun ^[7]; Chen, Zhongwei ^[9]; ^[10]

Key Laboratory of Carbon Materials of Zhejiang Province Institute of New Materials and Industrial Technologies Wenzhou University Wenzhou Zhejiang 325027 China, Department of Chemical Engineering University of Waterloo Waterloo Ontario N2L 3G1 Canada, Center for Functional Nanomaterials Brookhaven National Laboratory Upton NY 11973 USA
Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street Cambridge MA 02138 USA, Department of Chemistry and Department of Computer Science University of Toronto Toronto Ontario M5S 3H6 Canada
Energy and Environment Directorate Pacific Northwest National Laboratory 902 Battelle Boulevard Richland WA 99352 USA, College of Chemistry and Chemical Engineering Xiamen University Xiamen Fujian 361005 China
State Key Laboratory of Solidification Processing School of Materials Science and Engineering Northwestern Polytechnical University Xian 710072 China
Department of Materials Science and Chemical Engineering Stony Brook University Stony Brook NY 11794 USA
Center for Functional Nanomaterials Brookhaven National Laboratory Upton NY 11973 USA
Key Laboratory of Carbon Materials of Zhejiang Province Institute of New Materials and Industrial Technologies Wenzhou University Wenzhou Zhejiang 325027 China
National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China
Department of Chemical Engineering University of Waterloo Waterloo Ontario N2L 3G1 Canada
Center for Functional Nanomaterials Brookhaven National Laboratory Upton NY 11973 USA, National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China

Abstract

Ni‐rich LiNi _{1− x − y} Mn _x Co _y O ₂ (NMC) layered compounds are the dominant cathode for lithium ion batteries. The role of crystallographic defects on structure evolution and performance degradation during electrochemical cycling is not yet fully understood. Here, we investigated the structural evolution of a Ni‐rich NMC cathode in a solid‐state cell by in situ transmission electron microscopy. Antiphase boundary (APB) and twin boundary (TB) separating layered phases played an important role on phase change. Upon Li depletion, the APB extended across the layered structure, while Li/transition metal (TM) ion mixing in the layered phases was detected to induce the rock‐salt phase formation along the coherent TB. According to DFT calculations, Li/TM mixing and phase transition were aided by the low diffusion barriers of TM ions at planar defects. This work reveals the dynamical scenario of secondary phase evolution, helping unveil the origin of performance fading in Ni‐rich NMC.

View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0012704

OSTI ID:: 1664570

Journal Information:: Angewandte Chemie, Journal Name: Angewandte Chemie Journal Issue: 49 Vol. 132; ISSN 0044-8249

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

References (54)

First-Principles Calculations of Lithium-Ion Migration at a Coherent Grain Boundary in a Cathode Material, LiCoO ₂ Moriwake, Hiroki; Kuwabara, Akihide; Fisher, Craig A. J. Advanced Materials, Vol. 25, Issue 4 https://doi.org/10.1002/adma.201202805	journal	November 2012
Understanding the Degradation Mechanisms of LiNi _0.5 Co _0.2 Mn _0.3 O ₂ Cathode Material in Lithium Ion Batteries Jung, Sung-Kyun; Gwon, Hyeokjo; Hong, Jihyun Advanced Energy Materials, Vol. 4, Issue 1 https://doi.org/10.1002/aenm.201300787	journal	August 2013
Nickel-Rich and Lithium-Rich Layered Oxide Cathodes: Progress and Perspectives Manthiram, Arumugam; Knight, James C.; Myung, Seung-Taek Advanced Energy Materials, Vol. 6, Issue 1 https://doi.org/10.1002/aenm.201501010	journal	October 2015
High Voltage Operation of Ni-Rich NMC Cathodes Enabled by Stable Electrode/Electrolyte Interphases Zhao, Wengao; Zheng, Jianming; Zou, Lianfeng Advanced Energy Materials, Vol. 8, Issue 19 https://doi.org/10.1002/aenm.201800297	journal	March 2018
Nickel-reiche Lithium-Übergangsmetall-Schichtverbindungen für Hochenergie-Lithiumionenakkumulatoren Liu, Wen; Oh, Pilgun; Liu, Xien Angewandte Chemie, Vol. 127, Issue 15 https://doi.org/10.1002/ange.201409262	journal	March 2015
Nickel-Rich Layered Lithium Transition-Metal Oxide for High-Energy Lithium-Ion Batteries Liu, Wen; Oh, Pilgun; Liu, Xien Angewandte Chemie International Edition, Vol. 54, Issue 15 https://doi.org/10.1002/anie.201409262	journal	March 2015
Direct Visualization of Li Dendrite Effect on LiCoO ₂ Cathode by In Situ TEM Yang, Zhenzhong; Ong, Phuong-Vu; He, Yang Small, Vol. 14, Issue 52 https://doi.org/10.1002/smll.201803108	journal	November 2018
Degradation Mechanisms and Mitigation Strategies of Nickel-Rich NMC-Based Lithium-Ion Batteries Li, Tianyu; Yuan, Xiao-Zi; Zhang, Lei Electrochemical Energy Reviews, Vol. 3, Issue 1 https://doi.org/10.1007/s41918-019-00053-3	journal	October 2019
Structure and electrochemistry of LiMO2 (M=Ti, Mn, Fe, Co, Ni) prepared by mechanochemical synthesis Obrovac, M. Solid State Ionics, Vol. 112, Issue 1-2 https://doi.org/10.1016/S0167-2738(98)00225-2	journal	September 1998
Understanding of performance degradation of LiNi0.80Co0.10Mn0.10O2 cathode material operating at high potentials Zhang, Sheng S. Journal of Energy Chemistry, Vol. 41 https://doi.org/10.1016/j.jechem.2019.05.013	journal	February 2020
Practical Evaluation of Li-Ion Batteries Li, Hong Joule, Vol. 3, Issue 4 https://doi.org/10.1016/j.joule.2019.03.028	journal	April 2019
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
In-situ X-ray diffraction study on the structural evolutions of LiNi0.5Co0.3Mn0.2O2 in different working potential windows Shu, Jie; Ma, Rui; Shao, Lianyi Journal of Power Sources, Vol. 245 https://doi.org/10.1016/j.jpowsour.2013.06.049	journal	January 2014
Degradation effects on the surface of commercial LiNi 0.5 Co 0.2 Mn 0.3 O 2 electrodes Börner, M.; Horsthemke, F.; Kollmer, F. Journal of Power Sources, Vol. 335 https://doi.org/10.1016/j.jpowsour.2016.09.071	journal	December 2016
Degradation mechanisms of C6/LiNi0.5Mn0.3Co0.2O2 Li-ion batteries unraveled by non-destructive and post-mortem methods Li, Dongjiang; Li, Hu; Danilov, Dmitri L. Journal of Power Sources, Vol. 416 https://doi.org/10.1016/j.jpowsour.2019.01.083	journal	March 2019
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
A new insight into continuous performance decay mechanism of Ni-rich layered oxide cathode for high energy lithium ion batteries Lin, Qingyun; Guan, Wenhao; Meng, Jie Nano Energy, Vol. 54 https://doi.org/10.1016/j.nanoen.2018.09.066	journal	December 2018
Realizing superior cycling stability of Ni-Rich layered cathode by combination of grain boundary engineering and surface coating Cheng, Xiaopeng; Zheng, Jianming; Lu, Junxia Nano Energy, Vol. 62 https://doi.org/10.1016/j.nanoen.2019.05.021	journal	August 2019
Ni/Li Disordering in Layered Transition Metal Oxide: Electrochemical Impact, Origin, and Control Zheng, Jiaxin; Ye, Yaokun; Liu, Tongchao Accounts of Chemical Research, Vol. 52, Issue 8 https://doi.org/10.1021/acs.accounts.9b00033	journal	June 2019
Investigating the Reversibility of Structural Modifications of Li _x Ni _y Mn _z Co _{1– y – z} O ₂ Cathode Materials during Initial Charge/Discharge, at Multiple Length Scales Hwang, Sooyeon; Kim, Seung Min; Bak, Seong-Min Chemistry of Materials, Vol. 27, Issue 17 https://doi.org/10.1021/acs.chemmater.5b02457	journal	August 2015
Phosphorus Enrichment as a New Composition in the Solid Electrolyte Interphase of High-Voltage Cathodes and Its Effects on Battery Cycling Yang, Pengfei; Zheng, Jianming; Kuppan, Saravanan Chemistry of Materials, Vol. 27, Issue 21 https://doi.org/10.1021/acs.chemmater.5b03510	journal	October 2015
Synthesis of Li-Rich NMC: A Comprehensive Study Pimenta, Vanessa; Sathiya, Mariyappan; Batuk, Dmitry Chemistry of Materials, Vol. 29, Issue 23 https://doi.org/10.1021/acs.chemmater.7b03230	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
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
Formation, Structural Variety, and Impact of Antiphase Boundaries on Li Diffusion in LiCoO ₂ Thin-Film Cathodes Ong, Phuong-Vu; Yang, Zhenzhong; Sushko, Peter V. The Journal of Physical Chemistry Letters, Vol. 9, Issue 18 https://doi.org/10.1021/acs.jpclett.8b02185	journal	September 2018
A New Coating Method for Alleviating Surface Degradation of LiNi _0.6 Co _0.2 Mn _0.2 O ₂ Cathode Material: Nanoscale Surface Treatment of Primary Particles Kim, Hyejung; Kim, Min Gyu; Jeong, Hu Young Nano Letters, Vol. 15, Issue 3 https://doi.org/10.1021/acs.nanolett.5b00045	journal	February 2015
Atomic Resolution Structural and Chemical Imaging Revealing the Sequential Migration of Ni, Co, and Mn upon the Battery Cycling of Layered Cathode Yan, Pengfei; Zheng, Jianming; Zhang, Ji-Guang Nano Letters, Vol. 17, Issue 6 https://doi.org/10.1021/acs.nanolett.7b01546	journal	May 2017
Origin of Structural Evolution in Capacity Degradation for Overcharged NMC622 via Operando Coupled Investigation Wang, Qi; Shen, Chong-Heng; Shen, Shou-Yu ACS Applied Materials & Interfaces, Vol. 9, Issue 29 https://doi.org/10.1021/acsami.7b06326	journal	July 2017
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
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
Layered Mixed Transition Metal Oxide Cathodes with Reduced Cobalt Content for Lithium Ion Batteries Xiao, Jie; Chernova, Natasha A.; Whittingham, M. Stanley Chemistry of Materials, Vol. 20, Issue 24 https://doi.org/10.1021/cm802316d	journal	December 2008
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
Electrolytes and Interphases in Li-Ion Batteries and Beyond Xu, Kang Chemical Reviews, Vol. 114, Issue 23 https://doi.org/10.1021/cr500003w	journal	October 2014
In Situ Atomic-Scale Observation of Electrochemical Delithiation Induced Structure Evolution of LiCoO ₂ Cathode in a Working All-Solid-State Battery Gong, Yue; Zhang, Jienan; Jiang, Liwei Journal of the American Chemical Society, Vol. 139, Issue 12 https://doi.org/10.1021/jacs.6b13344	journal	March 2017
Particle Size Dependence of the Ionic Diffusivity Malik, Rahul; Burch, Damian; Bazant, Martin Nano Letters, Vol. 10, Issue 10 https://doi.org/10.1021/nl1023595	journal	October 2010
A New Type of Protective Surface Layer for High-Capacity Ni-Based Cathode Materials: Nanoscaled Surface Pillaring Layer Cho, Yonghyun; Oh, Pilgun; Cho, Jaephil Nano Letters, Vol. 13, Issue 3 https://doi.org/10.1021/nl304558t	journal	February 2013
First Evidence of Manganese–Nickel Segregation and Densification upon Cycling in Li-Rich Layered Oxides for Lithium Batteries Boulineau, Adrien; Simonin, Loïc; Colin, Jean-François Nano Letters, Vol. 13, Issue 8 https://doi.org/10.1021/nl4019275	journal	July 2013
Formation of the Spinel Phase in the Layered Composite Cathode Used in Li-Ion Batteries Gu, Meng; Belharouak, Ilias; Zheng, Jianming ACS Nano, Vol. 7, Issue 1 https://doi.org/10.1021/nn305065u	journal	December 2012
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
Promise and reality of post-lithium-ion batteries with high energy densities Choi, Jang Wook; Aurbach, Doron Nature Reviews Materials, Vol. 1, Issue 4 https://doi.org/10.1038/natrevmats.2016.13	journal	March 2016
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
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 atomic-scale observation of structural evolution of cathode material in a working all-solid-state battery Gong, Yue; Chen, Yuyang; Zhang, Qinghua Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-05833-x	journal	August 2018
Dynamic imaging of crystalline defects in lithium-manganese oxide electrodes during electrochemical activation to high voltage Li, Qianqian; Yao, Zhenpeng; Lee, Eungje Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-09408-2	journal	April 2019
Challenges in the development of advanced Li-ion batteries: a review Etacheri, Vinodkumar; Marom, Rotem; Elazari, Ran Energy & Environmental Science, Vol. 4, Issue 9 https://doi.org/10.1039/c1ee01598b	journal	January 2011
Study of the lithium/nickel ions exchange in the layered LiNi0.42Mn0.42Co0.16O2 cathode material for lithium ion batteries: experimental and first-principles calculations Yu, Haijun; Qian, Yumin; Otani, Minoru Energy & Environmental Science, Vol. 7, Issue 3 https://doi.org/10.1039/c3ee42398k	journal	January 2014
Factors that affect Li mobility in layered lithium transition metal oxides Kang, Kisuk; Ceder, Gerbrand Physical Review B, Vol. 74, Issue 9 https://doi.org/10.1103/PhysRevB.74.094105	journal	September 2006
Electrodes with High Power and High Capacity for Rechargeable Lithium Batteries Kang, Kisuk; Shirley Meng, Ying; Breger, Julien Science, Vol. 311, Issue 5763, p. 977-980 https://doi.org/10.1126/science.1122152	journal	February 2006
Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries Lee, J.; Urban, A.; Li, X. Science, Vol. 343, Issue 6170 https://doi.org/10.1126/science.1246432	journal	January 2014
Review—High-Capacity Li[Ni _1- _x Co _x _/2 Mn _x _/2 ]O ₂ ( x = 0.1, 0.05, 0) Cathodes for Next-Generation Li-Ion Battery Yoon, Chong S.; Choi, Moon Ho; Lim, Byung-Beom Journal of The Electrochemical Society, Vol. 162, Issue 14 https://doi.org/10.1149/2.0101514jes	journal	January 2015
The Impact of Electrolyte Additives and Upper Cut-off Voltage on the Formation of a Rocksalt Surface Layer in LiNi _0.8 Mn _0.1 Co _0.1 O ₂ Electrodes Li, Jing; Liu, Hanshuo; Xia, Jian Journal of The Electrochemical Society, Vol. 164, Issue 4 https://doi.org/10.1149/2.0651704jes	journal	January 2017
Microstructural Observation of LiNi _0.8 Co _0.15 Al _0.05 O ₂ after Charge and Discharge by Scanning Transmission Electron Microscopy Makimura, Yoshinari; Zheng, Shijian; Ikuhara, Yuichi Journal of The Electrochemical Society, Vol. 159, Issue 7 https://doi.org/10.1149/2.073207jes	journal	January 2012
Study of the Failure Mechanisms of LiNi _0.8 Mn _0.1 Co _0.1 O ₂ Cathode Material for Lithium Ion Batteries Li, Jing; Downie, Laura E.; Ma, Lin Journal of The Electrochemical Society, Vol. 162, Issue 7 https://doi.org/10.1149/2.1011507jes	journal	January 2015

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