Ni/Li Disordering in Layered Transition Metal Oxide: Electrochemical Impact, Origin, and Control

Zheng, Jiaxin; Ye, Yaokun; Liu, Tongchao; Xiao, Yinguo; Wang, Chongmin; Wang, Feng; Pan, Feng

doi:10.1021/acs.accounts.9b00033

Ni/Li Disordering in Layered Transition Metal Oxide: Electrochemical Impact, Origin, and Control

Journal Article · Mon Jun 10 00:00:00 EDT 2019 · Accounts of Chemical Research

DOI:https://doi.org/10.1021/acs.accounts.9b00033· OSTI ID:1580225

Zheng, Jiaxin ^[1]; Ye, Yaokun ^[1]; Liu, Tongchao ^[1]; Xiao, Yinguo ^[1]; ^[2]; ^[3]; ^[1]

Peking Univ., Shenzhen (China)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

Lithium ion batteries (LIBs) not only power most of today’s hybrid electric vehicles (HEV) and electric vehicles (EV) but also are considered as a promising system for grid-level storage. Large-scale applications for LIBs require substantial improvement in energy density, cost, and lifetime. Layered lithium transition metal (TM) oxides, in particular, Li(Ni_xMn_yCo_z)O₂ (NMC, x + y + z = 1) are the most promising candidates as cathode materials with the potential to increase energy densities and lifetime, reduce costs, and improve safety. In order to further boost Li storage capacity, a great deal of attention has been directed toward developing Ni-rich layered TM oxides. However, structural disorder as a result of Ni/Li exchange in octahedral sites becomes a critical issue when Ni content increases to high values, as it leads to a detrimental effect on Li diffusivity, cycling stability, first-cycle efficiency, and overall electrode performance. Increasing effort has been dedicated to improving the electrochemical performance of layered TM oxides via reduction of cationic mixing. Furthermore, it is important to summarize this research field and provide in-depth insight into the impact of Ni/Li disordering on electrochemical characteristics in layered TM oxides and its origin to accelerate the future development of layered TM oxides with high performance.

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)

Grant/Contract Number:: AC02-05CH11231; SC0012704

OSTI ID:: 1580225

Alternate ID(s):: OSTI ID: 1591865

Report Number(s):: BNL--212437-2019-JAAM

Journal Information:: Accounts of Chemical Research, Journal Name: Accounts of Chemical Research Journal Issue: 8 Vol. 52; ISSN 0001-4842

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (53)

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
Persistent State-of-Charge Heterogeneity in Relaxed, Partially Charged Li ₁₋ _x Ni _1/3 Co _1/3 Mn _1/3 O ₂ Secondary Particles Gent, William E.; Li, Yiyang; Ahn, Sungjin Advanced Materials, Vol. 28, Issue 31 https://doi.org/10.1002/adma.201601273	journal	May 2016
Synthetic Control of Kinetic Reaction Pathway and Cationic Ordering in High-Ni Layered Oxide Cathodes Wang, Dawei; Kou, Ronghui; Ren, Yang Advanced Materials, Vol. 29, Issue 39 https://doi.org/10.1002/adma.201606715	journal	August 2017
In Situ Probing and Synthetic Control of Cationic Ordering in Ni-Rich Layered Oxide Cathodes Zhao, Jianqing; Zhang, Wei; Huq, Ashfia Advanced Energy Materials, Vol. 7, Issue 3 https://doi.org/10.1002/aenm.201601266	journal	October 2016
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
Comparative study of LiCoO2, LiNi12Co12O2 and LiNiO2 for 4 volt secondary lithium cells Ohzuku, Tsutomu; Ueda, Atsushi; Nagayama, Masatoshi Electrochimica Acta, Vol. 38, Issue 9 https://doi.org/10.1016/0013-4686(93)80046-3	journal	June 1993
Superexchange interaction and symmetry properties of electron orbitals Kanamori, Junjiro Journal of Physics and Chemistry of Solids, Vol. 10, Issue 2-3 https://doi.org/10.1016/0022-3697(59)90061-7	journal	July 1959
The relationship between the composition of lithium nickel oxide and the loss of reversibility during the first cycle Peres, J. P.; Delmas, C.; Rougier, A. Journal of Physics and Chemistry of Solids, Vol. 57, Issue 6-8 https://doi.org/10.1016/0022-3697(95)00395-9	journal	June 1996
Synthesis of LiMnO2 and LiFeO2 in molten Li halides Fuchs, B.; Kemmlersack, S. Solid State Ionics, Vol. 68, Issue 3-4 https://doi.org/10.1016/0167-2738(94)90186-4	journal	March 1994
A new variety of LiMnO₂ with a layered structure Capitaine, F.; Gravereau, P.; Delmas, C. Solid State Ionics, Vol. 89, Issue 3-4, p. 197-202 https://doi.org/10.1016/0167-2738(96)00369-4	journal	August 1996
Performance of layered Li(Ni1/3Co1/3Mn1/3)O2 as cathode for Li-ion batteries Shaju, K. M.; Subba Rao, G. V.; Chowdari, B. V. R. Electrochimica Acta, Vol. 48, Issue 2 https://doi.org/10.1016/S0013-4686(02)00593-5	journal	November 2002
Effect of cobalt substitution on cationic distribution in LiNi1 − y CoyO2 electrode materials Rougier, A. Solid State Ionics, Vol. 90, Issue 1-4 https://doi.org/10.1016/S0167-2738(96)00370-0	journal	September 1996
On the behavior of the LixNiO2 system: an electrochemical and structural overview Delmas, C.; Pérès, J. P.; Rougier, A. Journal of Power Sources, Vol. 68, Issue 1 https://doi.org/10.1016/S0378-7753(97)02664-5	journal	September 1997
Crystal structure changes of LiMn0.5Ni0.5O2 cathode materials during charge and discharge studied by synchrotron based in situ XRD Yang, Xiao-Qing; McBreen, James; Yoon, Won-Sub Electrochemistry Communications, Vol. 4, Issue 8 https://doi.org/10.1016/S1388-2481(02)00406-X	journal	August 2002
Synthesis and characterization of LiNi1/3Mn1/3Co1/3O2 by wet-chemical method Zhang, Xiaoyu; Mauger, A.; Lu, Qi Electrochimica Acta, Vol. 55, Issue 22 https://doi.org/10.1016/j.electacta.2010.06.040	journal	September 2010
Synthesis and electrochemical properties of layered LiNi2/3Sb1/3O2 Ma, Xiaohua; Kang, Kisuk; Ceder, Gerbrand Journal of Power Sources, Vol. 173, Issue 1 https://doi.org/10.1016/j.jpowsour.2007.07.033	journal	November 2007
Minimization of the cation mixing in Li1+x(NMC)1−xO2 as cathode material Zhang, Xiaoyu; Jiang, W. J.; Mauger, A. Journal of Power Sources, Vol. 195, Issue 5 https://doi.org/10.1016/j.jpowsour.2009.09.029	journal	March 2010
Fundamental degradation mechanisms of layered oxide Li-ion battery cathode materials: Methodology, insights and novel approaches Hausbrand, R.; Cherkashinin, G.; Ehrenberg, H. Materials Science and Engineering: B, Vol. 192 https://doi.org/10.1016/j.mseb.2014.11.014	journal	February 2015
Insight into the origin of lithium/nickel ions exchange in layered Li(NixMnyCoz)O2 cathode materials Xiao, Yinguo; Liu, Tongchao; Liu, Jiajie Nano Energy, Vol. 49 https://doi.org/10.1016/j.nanoen.2018.04.020	journal	July 2018
Electrochemical Characteristics of Layered Transition Metal Oxide Cathode Materials for Lithium Ion Batteries: Surface, Bulk Behavior, and Thermal Properties Tian, Chixia; Lin, Feng; Doeff, Marca M. Accounts of Chemical Research, Vol. 51, Issue 1 https://doi.org/10.1021/acs.accounts.7b00520	journal	December 2017
Atomic-Resolution Visualization of Distinctive Chemical Mixing Behavior of Ni, Co, and Mn with Li in Layered Lithium Transition-Metal Oxide Cathode Materials Yan, Pengfei; Zheng, Jianming; Lv, Dongping Chemistry of Materials, Vol. 27, Issue 15 https://doi.org/10.1021/acs.chemmater.5b02016	journal	July 2015
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
Defect Physics and Chemistry in Layered Mixed Transition Metal Oxide Cathode Materials: (Ni,Co,Mn) vs (Ni,Co,Al) Hoang, Khang; Johannes, Michelle Chemistry of Materials, Vol. 28, Issue 5 https://doi.org/10.1021/acs.chemmater.5b04219	journal	February 2016
Cation Ordering of Zr-Doped LiNiO ₂ Cathode for Lithium-Ion Batteries Yoon, Chong S.; Choi, Min-Jae; Jun, Do-Wook Chemistry of Materials, Vol. 30, Issue 5 https://doi.org/10.1021/acs.chemmater.8b00619	journal	February 2018
Role of Superexchange Interaction on Tuning of Ni/Li Disordering in Layered Li(Ni _x Mn _y Co _z )O ₂ Zheng, Jiaxin; Teng, Gaofeng; Xin, Chao The Journal of Physical Chemistry Letters, Vol. 8, Issue 22 https://doi.org/10.1021/acs.jpclett.7b02498	journal	November 2017
Cobalt-Free Nickel Rich Layered Oxide Cathodes for Lithium-Ion Batteries Sun, Yang-Kook; Lee, Dong-Ju; Lee, Yun Jung ACS Applied Materials & Interfaces, Vol. 5, Issue 21 https://doi.org/10.1021/am403684z	journal	October 2013
Cation Ordering in Layered O3 Li[Ni _x Li _1/3 _- ₂ _x _/3 Mn _2/ ₃ _- _x _/3 ]O ₂ (0 ≤ x ≤ ¹ / ₂ ) Compounds Meng, Y. S.; Ceder, G.; Grey, C. P. Chemistry of Materials, Vol. 17, Issue 9 https://doi.org/10.1021/cm047779m	journal	May 2005
Synthesis of Li[(Ni _0.5 Mn _0.5 ) ₁ _- _x Li _x ]O ₂ by Emulsion Drying Method and Impact of Excess Li on Structural and Electrochemical Properties Myung, Seung-Taek; Komaba, Shinichi; Kurihara, Koutarou Chemistry of Materials, Vol. 18, Issue 6 https://doi.org/10.1021/cm052704j	journal	March 2006
Phase Transitions in the LiNi _0.5 Mn _0.5 O ₂ System with Temperature Hinuma, Yoyo; Meng, Ying S.; Kang, Kisuk Chemistry of Materials, Vol. 19, Issue 7 https://doi.org/10.1021/cm062903i	journal	April 2007
Layered Li _x Ni _y Mn _y Co _1-2 _y O ₂ Cathodes for Lithium Ion Batteries: Understanding Local Structure via Magnetic Properties Chernova, Natasha A.; Ma, Miaomiao; Xiao, Jie Chemistry of Materials, Vol. 19, Issue 19 https://doi.org/10.1021/cm0708867	journal	September 2007
Experimental and First-Principles Thermodynamic Study of the Formation and Effects of Vacancies in Layered Lithium Nickel Cobalt Oxides Kim, Yongseon; Kim, Doyu; Kang, Shinhoo Chemistry of Materials, Vol. 23, Issue 24 https://doi.org/10.1021/cm202415x	journal	December 2011
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
Positive Electrode Materials for Li-Ion and Li-Batteries ^† Ellis, Brian L.; Lee, Kyu Tae; Nazar, Linda F. Chemistry of Materials, Vol. 22, Issue 3 https://doi.org/10.1021/cm902696j	journal	February 2010
Lithium Batteries and Cathode Materials Whittingham, M. Stanley Chemical Reviews, Vol. 104, Issue 10, p. 4271-4302 https://doi.org/10.1021/cr020731c	journal	October 2004
Short- and Long-Range Order in the Positive Electrode Material, Li(NiMn) _0.5 O ₂ : A Joint X-ray and Neutron Diffraction, Pair Distribution Function Analysis and NMR Study Bréger, Julien; Dupré, Nicolas; Chupas, Peter J. Journal of the American Chemical Society, Vol. 127, Issue 20 https://doi.org/10.1021/ja050697u	journal	May 2005
Kinetics Tuning of Li-Ion Diffusion in Layered Li(Ni _x Mn _y Co _z )O ₂ Wei, Yi; Zheng, Jiaxin; Cui, Suihan Journal of the American Chemical Society, Vol. 137, Issue 26 https://doi.org/10.1021/jacs.5b04040	journal	June 2015
Tuning of Thermal Stability in Layered Li(Ni _x Mn _y Co _z )O ₂ Zheng, Jiaxin; Liu, Tongchao; Hu, Zongxiang Journal of the American Chemical Society, Vol. 138, Issue 40 https://doi.org/10.1021/jacs.6b07771	journal	September 2016
Cationic Ordering Coupled to Reconstruction of Basic Building Units during Synthesis of High-Ni Layered Oxides Zhang, Ming-Jian; Teng, Gaofeng; Chen-Wiegart, Yu-chen Karen Journal of the American Chemical Society, Vol. 140, Issue 39 https://doi.org/10.1021/jacs.8b06150	journal	August 2018
Evolution of Lattice Structure and Chemical Composition of the Surface Reconstruction Layer in Li _1.2 Ni _0.2 Mn _0.6 O ₂ Cathode Material for Lithium Ion Batteries Yan, Pengfei; Nie, Anmin; Zheng, Jianming Nano Letters, Vol. 15, Issue 1 https://doi.org/10.1021/nl5038598	journal	December 2014
The role of nanotechnology in the development of battery materials for electric vehicles Lu, Jun; Chen, Zonghai; Ma, Zifeng Nature Nanotechnology, Vol. 11, Issue 12 https://doi.org/10.1038/nnano.2016.207	journal	December 2016
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
The effect of cation mixing controlled by thermal treatment duration on the electrochemical stability of lithium transition-metal oxides Sun, Gang; Yin, Xucai; Yang, Wu Physical Chemistry Chemical Physics, Vol. 19, Issue 44 https://doi.org/10.1039/C7CP05530G	journal	January 2017
Insights into Li/Ni ordering and surface reconstruction during synthesis of Ni-rich layered oxides Duan, Yandong; Yang, Luyi; Zhang, Ming-Jian Journal of Materials Chemistry A, Vol. 7, Issue 2 https://doi.org/10.1039/C8TA10553G	journal	January 2019
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
Effects of cationic substitution on structural defects in layered cathode materials LiNiO2 Chen, Hungru; Dawson, James A.; Harding, John H. Journal of Materials Chemistry A, Vol. 2, Issue 21 https://doi.org/10.1039/c4ta00637b	journal	January 2014
Size and charge effects on the structural stability of LiMO ₂ (M = transition metal) compounds Wu, Eric J.; Tepesch, Patrick D.; Ceder, Gerbrand Philosophical Magazine B, Vol. 77, Issue 4 https://doi.org/10.1080/13642819808206403	journal	April 1998
Antiferromagnetism. The Triangular Ising Net Wannier, G. H. Physical Review, Vol. 79, Issue 2 https://doi.org/10.1103/PhysRev.79.357	journal	July 1950
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
Novel LiNi[sub 1−x]Ti[sub x/2]Mg[sub x/2]O[sub 2] Compounds as Cathode Materials for Safer Lithium-Ion Batteries Gao, Yuan Electrochemical and Solid-State Letters, Vol. 1, Issue 3 https://doi.org/10.1149/1.1390656	journal	January 1999
Effect of Preparation Methods of LiNi[sub 1−x]Co[sub x]O[sub 2] Cathode Materials on Their Chemical Structure and Electrode Performance Cho, Jaephil Journal of The Electrochemical Society, Vol. 146, Issue 10 https://doi.org/10.1149/1.1392516	journal	January 1999
Understanding Irreversible Capacity in Li[sub x]Ni[sub 1−y]Fe[sub y]O[sub 2] Cathode Materials Mueller-Neuhaus, J. R.; Dunlap, R. A.; Dahn, J. R. Journal of The Electrochemical Society, Vol. 147, Issue 10 https://doi.org/10.1149/1.1393945	journal	January 2000
Review—Recent Advances and Remaining Challenges for Lithium Ion Battery Cathodes: I. Nickel-Rich, LiNi Schipper, Florian; Erickson, Evan M.; Erk, Christoph Journal of The Electrochemical Society, Vol. 164, Issue 1 https://doi.org/10.1149/2.0351701jes	journal	December 2016

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