Collapse of LiNi1–x–yCoxMnyO2 Lattice at Deep Charge Irrespective of Nickel Content in Lithium-Ion Batteries

Li, Wangda; Asl, Hooman Yaghoobnejad; Xie, Qiang; Manthiram, Arumugam

doi:10.1021/jacs.8b13798

Title: Collapse of LiNi_1–x–yCo_xMn_yO₂ Lattice at Deep Charge Irrespective of Nickel Content in Lithium-Ion Batteries

Journal Article · Tue Mar 19 00:00:00 EDT 2019 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.8b13798· OSTI ID:2217328

^[1]; Asl, Hooman Yaghoobnejad ^[1]; Xie, Qiang ^[1];

^[1]

Univ. of Texas, Austin, TX (United States)

Volume variation and the associated mechanical fracture of electrode materials upon Li extraction/insertion are a main cause limiting lifetime performance of lithium-ion batteries. For LiNi_1-x-yCo_xMn_yO₂ (NCM) cathodes, abrupt anisotropic collapse of the layered lattice structure at deep charge is generally considered characteristic to high Ni content and can be effectively suppressed by elemental substitution. Herein, we demonstrate the lattice collapse is a universal phenomenon almost entirely dependent on Li utilization, and not Ni content, of NCM cathodes upon delithiation. With Li removal nearing 80 mol%, very similar c-axis lattice shrinkage of around 5% occurs concurrently for NCMs synthesized in-house regardless of nickel content (90, 70, 50, or 33 mol%); meanwhile, the a-axis lattice contracts for high-Ni NCM, but it expands for low-Ni NCM. We further reveal Co-Mn co-substitution in NCM barely, if at all, affects several key structural aspects governing the lattice distortion upon delithiation. Finally, our results highlight the importance of evaluating true implications of compositional tuning on high-Ni layered oxide cathode materials to maximize their charge-storage capacities for next-generation high-energy Li-ion batteries.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Univ. of Texas, Austin, TX (United States)

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

Grant/Contract Number:: EE0007762; F-1254

OSTI ID:: 2217328

Journal Information:: Journal of the American Chemical Society, Vol. 141, Issue 13; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 242 works

Citation information provided by
Web of Science

References (30)

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
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
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
Mn versus Al in Layered Oxide Cathodes in Lithium-Ion Batteries: A Comprehensive Evaluation on Long-Term Cyclability Li, Wangda; Liu, Xiaoming; Celio, Hugo Advanced Energy Materials, Vol. 8, Issue 15 https://doi.org/10.1002/aenm.201703154	journal	February 2018
Charge-Transfer-Induced Lattice Collapse in Ni-Rich NCM Cathode Materials during Delithiation Kondrakov, Aleksandr O.; Geßwein, Holger; Galdina, Kristina The Journal of Physical Chemistry C, Vol. 121, Issue 44 https://doi.org/10.1021/acs.jpcc.7b06598	journal	October 2017
An electrochemical investigation into the lithium insertion properties of LixNiO2 (0 ≤ x ≤ 1) Barker, J. Solid State Ionics, Vol. 89, Issue 1-2 https://doi.org/10.1016/0167-2738(96)00262-7	journal	August 1996
Performance and cost of materials for lithium-based rechargeable automotive batteries Schmuch, Richard; Wagner, Ralf; Hörpel, Gerhard Nature Energy, Vol. 3, Issue 4 https://doi.org/10.1038/s41560-018-0107-2	journal	April 2018
Li ⁺ -Ion Extraction/Insertion of Ni-Rich Li _{1+ x} (Ni _y Co _z Mn _z ) _w O ₂ (0.005< x <0.03; y : z =8:1, w ≈1) Electrodes: In Situ XRD and Raman Spectroscopy Study Ghanty, Chandan; Markovsky, Boris; Erickson, Evan M. ChemElectroChem, Vol. 2, Issue 10 https://doi.org/10.1002/celc.201500160	journal	July 2015
Facilitating the Operation of Lithium-Ion Cells with High-Nickel Layered Oxide Cathodes with a Small Dose of Aluminum Li, Jianyu; Li, Wangda; Wang, Shanyu Chemistry of Materials, Vol. 30, Issue 9 https://doi.org/10.1021/acs.chemmater.8b01077	journal	April 2018
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
Lattice volume change during charge/discharge reaction and cycle performance of Li[NixCoyMnz]O2 Ishidzu, K.; Oka, Y.; Nakamura, T. Solid State Ionics, Vol. 288 https://doi.org/10.1016/j.ssi.2016.01.009	journal	May 2016
Structure and electrochemistry of Li1±yNiO2 and a new Li2NiO2 phase with the Ni (OH)2 structure Dahn, J. Solid State Ionics, Vol. 44, Issue 1-2 https://doi.org/10.1016/0167-2738(90)90049-W	journal	December 1990
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
A grid-based Bader analysis algorithm without lattice bias Tang, W.; Sanville, E.; Henkelman, G. Journal of Physics: Condensed Matter, Vol. 21, Issue 8 https://doi.org/10.1088/0953-8984/21/8/084204	journal	January 2009
Prospect and Reality of Ni-Rich Cathode for Commercialization Kim, Junhyeok; Lee, Hyomyung; Cha, Hyungyeon Advanced Energy Materials, Vol. 8, Issue 6 https://doi.org/10.1002/aenm.201702028	journal	November 2017
Future generations of cathode materials: an automotive industry perspective Andre, Dave; Kim, Sung-Jin; Lamp, Peter Journal of Materials Chemistry A, Vol. 3, Issue 13 https://doi.org/10.1039/C5TA00361J	journal	January 2015
Synthesis and properties of LiNiO2 as cathode material for secondary batteries Yamada, Shuji; Fujiwara, Masashi; Kanda, Motoya Journal of Power Sources, Vol. 54, Issue 2 https://doi.org/10.1016/0378-7753(94)02068-E	journal	April 1995
In Situ X-ray Diffraction Study of Layered Li–Ni–Mn–Co Oxides: Effect of Particle Size and Structural Stability of Core–Shell Materials Li, Jing; Shunmugasundaram, Ramesh; Doig, Renny Chemistry of Materials, Vol. 28, Issue 1 https://doi.org/10.1021/acs.chemmater.5b03500	journal	December 2015
Short-range cation ordering in ${Li}_{x}$ ${Ni}_{2 - x}$ $O_{2}$ Reimers, Jan N.; Li, W.; Dahn, J. R. Physical Review B, Vol. 47, Issue 14 https://doi.org/10.1103/PhysRevB.47.8486	journal	April 1993
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
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
Electrochemistry and Structural Chemistry of LiNiO[sub 2] (R3m) for 4 Volt Secondary Lithium Cells Ohzuku, Tsutomu Journal of The Electrochemical Society, Vol. 140, Issue 7 https://doi.org/10.1149/1.2220730	journal	January 1993
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
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
High-voltage positive electrode materials for lithium-ion batteries Li, Wangda; Song, Bohang; Manthiram, Arumugam Chemical Society Reviews, Vol. 46, Issue 10 https://doi.org/10.1039/C6CS00875E	journal	January 2017
New Insight into Ni-Rich Layered Structure for Next-Generation Li Rechargeable Batteries Lee, Wontae; Muhammad, Shoaib; Kim, Taewhan Advanced Energy Materials, Vol. 8, Issue 4 https://doi.org/10.1002/aenm.201701788	journal	October 2017
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
In situ x-ray diffraction and electrochemical studies of Li1−xNiO2 Li, W.; Reimers, J.; Dahn, J. Solid State Ionics, Vol. 67, Issue 1-2 https://doi.org/10.1016/0167-2738(93)90317-V	journal	December 1993
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

Similar Records

Degradation in Ni-Rich LiNi_1–x–yMn_xCo_yO₂/Graphite Batteries: Impact of Charge Voltage and Ni Content

Journal Article · Thu Apr 06 00:00:00 EDT 2023 · Journal of Physical Chemistry. C · OSTI ID:2217328

West, Patrick J.; Quilty, Calvin D.; Wang, Zhongling; +10 more

Investigation of the Structural Changes in Li[Ni _y Mn _y Co _(1−2y) ]O ₂ ( y = 0.05) upon Electrochemical Lithium Deintercalation ^†

Journal Article · Tue Feb 09 00:00:00 EST 2010 · Chemistry of Materials · OSTI ID:2217328

Zeng, Dongli; Cabana, Jordi; Yoon, Won-Sub; +1 more

Single-Crystalline Ni-Rich LiNi_xMn_yCo_1–_x_–_yO₂ Cathode Materials: A Perspective

Journal Article · Thu Oct 06 00:00:00 EDT 2022 · Advanced Energy Materials · OSTI ID:2217328

Zhang, Hao; He, Xinzi; Chen, Zonghai; +4 more

Related Subjects

25 ENERGY STORAGE
batteries
cathodes
electrodes
lattices
oxygen
physical and chemical processes
transition metals

Title: Collapse of LiNi1–x–yCoxMnyO2 Lattice at Deep Charge Irrespective of Nickel Content in Lithium-Ion Batteries

Citation Formats

References (30)

Similar Records

Related Subjects

Title: Collapse of LiNi_1–x–yCo_xMn_yO₂ Lattice at Deep Charge Irrespective of Nickel Content in Lithium-Ion Batteries