Transition metal dissolution, ion migration, electrocatalytic reduction and capacity loss in Lithium-ion full cells

Gilbert, James A.; Shkrob, Ilya A.; Abraham, Daniel P.

doi:10.1149/2.1111702jes

Title: Transition metal dissolution, ion migration, electrocatalytic reduction and capacity loss in Lithium-ion full cells

Journal Article · 05 January 2017 · Journal of the Electrochemical Society

DOI: https://doi.org/10.1149/2.1111702jes · OSTI ID:1339642

Gilbert, James A. ^[1]; Shkrob, Ilya A. ^[1]; Abraham, Daniel P. ^[1]

Argonne National Lab. (ANL), Argonne, IL (United States)

Continuous operation of full cells with layered transition metal (TM) oxide positive electrodes (NCM523) leads to dissolution of TM ions and their migration and incorporation into the solid electrolyte interphase (SEI) of the graphite-based negative electrode. These processes correlate with cell capacity fade and accelerate markedly as the upper cutoff voltage (UCV) exceeds 4.30 V. At voltages ≥ 4.4 V there is enhanced fracture of the oxide during cycling that creates new surfaces and causes increased solvent oxidation and TM dissolution. Despite this deterioration, cell capacity fade still mainly results from lithium loss in the negative electrode SEI. Among TMs, Mn content in the SEI shows a better correlation with cell capacity loss than Co and Ni contents. As Mn ions become incorporated into the SEI, the kinetics of lithium trapping change from power to linear at the higher UCVs, indicating a large effect of these ions on SEI growth and implicating (electro)catalytic reactions. Lastly, we estimate that each Mn^II ion deposited in the SEI causes trapping of ~10² additional Li⁺ ions thereby hastening the depletion of cyclable lithium ions. Using these results, we sketch a mechanism for cell capacity fade, emphasizing the conceptual picture over the chemical detail.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

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

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1339642

Journal Information:: Journal of the Electrochemical Society, Vol. 164, Issue 2; ISSN 0013-4651

Publisher:: The Electrochemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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High-nickel layered oxide cathodes for lithium-based automotive batteries Li, Wangda; Erickson, Evan M.; Manthiram, Arumugam Nature Energy, Vol. 5, Issue 1 https://doi.org/10.1038/s41560-019-0513-0	journal	January 2020
Understanding ageing in Li-ion batteries: a chemical issue Palacín, M. Rosa Chemical Society Reviews, Vol. 47, Issue 13 https://doi.org/10.1039/c7cs00889a	journal	January 2018
Structural analysis of the initial lithiation of NiO thin film electrodes Evmenenko, Guennadi; Fister, Timothy T.; Castro, Fernando C. Physical Chemistry Chemical Physics, Vol. 21, Issue 17 https://doi.org/10.1039/c9cp01527b	journal	January 2019
Use of Asymmetric Average Charge- and Average Discharge- Voltages as an Indicator of the Onset of Unwanted Lithium Deposition in Lithium-Ion Cells Harlow, J. E.; Glazier, S. L.; Li, Jing Journal of The Electrochemical Society, Vol. 165, Issue 16 https://doi.org/10.1149/2.0011816jes	journal	January 2018
Minimized Metal Dissolution from High-Energy Nickel Cobalt Manganese Oxide Cathodes with Al ₂ O ₃ Coating and Its Effects on Electrolyte Decomposition on Graphite Anodes Jurng, Sunhyung; Heiskanen, Satu Kristiina; Chandrasiri, K. W. D. Kaveendi Journal of The Electrochemical Society, Vol. 166, Issue 13 https://doi.org/10.1149/2.0101913jes	journal	January 2019
Electrochemomechanical Fatigue: Decoupling Mechanisms of Fracture-Induced Performance Degradation in Li _X Mn ₂ O ₄ McGrogan, Frank P.; Raja, Shilpa N.; Chiang, Yet-Ming Journal of The Electrochemical Society, Vol. 165, Issue 11 https://doi.org/10.1149/2.0191811jes	journal	January 2018
Li _1.2 Mn _0.55 Ni _0.15 Co _0.1 O ₂ (LMR-NMC)-Carbon Coated-LiMnPO ₄ Blended Electrodes for High Performance Lithium Ion Batteries Kumar, S. Krishna; Martha, Surendra K. Journal of The Electrochemical Society, Vol. 165, Issue 3 https://doi.org/10.1149/2.0221803jes	journal	January 2018
Electrochemical Kinetics of SEI Growth on Carbon Black: Part I. Experiments Attia, Peter M.; Das, Supratim; Harris, Stephen J. Journal of The Electrochemical Society, Vol. 166, Issue 4 https://doi.org/10.1149/2.0231904jes	journal	January 2019
Importance of Capacity Balancing on The Electrochemical Performance of Li[Ni _0.8 Co _0.1 Mn _0.1 ]O ₂ (NCM811)/Silicon Full Cells Reuter, Florian; Baasner, Anne; Pampel, Jonas Journal of The Electrochemical Society, Vol. 166, Issue 14 https://doi.org/10.1149/2.0431914jes	journal	January 2019
Dependence of Cell Failure on Cut-Off Voltage Ranges and Observation of Kinetic Hindrance in LiNi _0.8 Co _0.15 Al _0.05 O ₂ Li, Jing; Harlow, Jessie; Stakheiko, Nikolai Journal of The Electrochemical Society, Vol. 165, Issue 11 https://doi.org/10.1149/2.0491811jes	journal	January 2018
Electrolyte and SEI Decomposition Reactions of Transition Metal Ions Investigated by On-Line Electrochemical Mass Spectrometry Solchenbach, Sophie; Hong, Gloria; Freiberg, Anna Teresa Sophie Journal of The Electrochemical Society, Vol. 165, Issue 14 https://doi.org/10.1149/2.0511814jes	journal	January 2018
Review—Multifunctional Separators: A Promising Approach for Improving the Durability and Performance of Li-Ion Batteries Banerjee, Anjan; Ziv, Baruch; Shilina, Yuliya Journal of The Electrochemical Society, Vol. 166, Issue 3 https://doi.org/10.1149/2.0561903jes	journal	January 2019
Comparative Measurements of Side-Reaction Currents of Li[Li _1/3 Ti _5/3 ]O ₄ and Li[Li _0.1 Al _0.1 Mn _1.8 ]O ₄ Electrodes in Lithium-Ion Cells and Symmetric Cells Ariyoshi, Kingo; Fukunishi, Yuki; Yamada, Yusuke Journal of The Electrochemical Society, Vol. 166, Issue 14 https://doi.org/10.1149/2.0601914jes	journal	January 2019
Preformed Anodes for High-Voltage Lithium-Ion Battery Performance: Fluorinated Electrolytes, Crosstalk, and the Origins of Impedance Rise Tornheim, Adam; Sahore, Ritu; He, Meinan Journal of The Electrochemical Society, Vol. 165, Issue 14 https://doi.org/10.1149/2.0611814jes	journal	January 2018
One Law to Rule Them All: Stretched Exponential Master Curve of Capacity Fade for Li-Ion Batteries Cuervo-Reyes, Eduardo; Flückiger, Reto Journal of The Electrochemical Society, Vol. 166, Issue 8 https://doi.org/10.1149/2.0611908jes	journal	January 2019
Quantifying Changes to the Electrolyte and Negative Electrode in Aged NMC532/Graphite Lithium-Ion Cells Thompson, L. M.; Stone, W.; Eldesoky, A. Journal of The Electrochemical Society, Vol. 165, Issue 11 https://doi.org/10.1149/2.0721811jes	journal	January 2018
Effect of Choices of Positive Electrode Material, Electrolyte, Upper Cut-Off Voltage and Testing Temperature on the Life Time of Lithium-Ion Cells Li, Jing; Glazier, Stephen L.; Nelson, Kathlyne Journal of The Electrochemical Society, Vol. 165, Issue 13 https://doi.org/10.1149/2.0931813jes	journal	January 2018
Development of Electrolytes for Single Crystal NMC532/Artificial Graphite Cells with Long Lifetime Li, Jing; Li, Hongyang; Stone, Will Journal of The Electrochemical Society, Vol. 165, Issue 3 https://doi.org/10.1149/2.0971803jes	journal	January 2018
Nickel, Manganese, and Cobalt Dissolution from Ni-Rich NMC and Their Effects on NMC622-Graphite Cells Jung, Roland; Linsenmann, Fabian; Thomas, Rowena Journal of The Electrochemical Society, Vol. 166, Issue 2 https://doi.org/10.1149/2.1151902jes	journal	January 2019
A Guide to Full Coin Cell Making for Academic Researchers Murray, Vivian; Hall, David S.; Dahn, J. R. Journal of The Electrochemical Society, Vol. 166, Issue 2 https://doi.org/10.1149/2.1171902jes	journal	January 2019
Advancing Lithium- and Manganese-Rich Cathodes through a Combined Electrolyte Additive/Surface Treatment Strategy Gutierrez, Arturo; He, Meinan; Yonemoto, Bryan T. Journal of The Electrochemical Society, Vol. 166, Issue 16 https://doi.org/10.1149/2.1281915jes	journal	January 2019
Degradation and Aging Routes of Ni-Rich Cathode Based Li-Ion Batteries Teichert, Philipp; Eshetu, Gebrekidan Gebresilassie; Jahnke, Hannes Batteries, Vol. 6, Issue 1 https://doi.org/10.3390/batteries6010008	journal	January 2020
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
High-Voltage Li-Ion Full-Cells with Ultralong Term Cycle Life at Elevated Temperature Qiao, Yu; He, Yibo; Jiang, Kezhu Advanced Energy Materials, Vol. 8, Issue 33 https://doi.org/10.1002/aenm.201802322	journal	October 2018
Improvement of Cycleability and Rate‐Capability of LiNi _0.5 Co _0.2 Mn _0.3 O ₂ Cathode Materials Coated with Lithium Boron Oxide by an Antisolvent Precipitation Method Hashigami, Satoshi; Yoshimi, Kei; Kato, Yukihiro ChemistrySelect, Vol. 4, Issue 29 https://doi.org/10.1002/slct.201900874	journal	August 2019
Composite‐Structure Materials for Na‐Ion Batteries Su, Heng; Yu, Haijun Small Methods, Vol. 3, Issue 4 https://doi.org/10.1002/smtd.201800205	journal	October 2018
How Transition Metals Enable Electron Transfer through the SEI: Part I. Experiments and Butler-Volmer Modeling Harris, Oliver C.; Lin, Yuxiao; Qi, Yue Journal of The Electrochemical Society, Vol. 167, Issue 1 https://doi.org/10.1149/2.0022001jes	journal	August 2019
Fast Charging of Li-Ion Cells: Part II. Nonlinear Contributions to Cell and Electrode Polarization Shkrob, Ilya A.; Rodrigues, Marco-Tulio Fonseca; Dees, Dennis W. Journal of The Electrochemical Society, Vol. 166, Issue 14 https://doi.org/10.1149/2.0561914jes	journal	January 2019
Communication—Ligand-Dependent Electrochemical Activity for Mn ²⁺ in Lithium-Ion Electrolyte Solutions Tornheim, Adam; Kirner, Joel; Sahore, Ritu Journal of The Electrochemical Society, Vol. 166, Issue 10 https://doi.org/10.1149/2.1541910jes	journal	January 2019
Comparison of Single Crystal and Polycrystalline LiNi _0.5 Mn _0.3 Co _0.2 O ₂ Positive Electrode Materials for High Voltage Li-Ion Cells Li, Jing; Cameron, Andrew R.; Li, Hongyang Journal of The Electrochemical Society, Vol. 164, Issue 7 https://doi.org/10.1149/2.0991707jes	journal	January 2017
Degradation and Aging Routes of Ni-Rich Cathode Based Li-Ion Batteries Teichert, Philipp; Eshetu, Gebrekidan Gebresilassie; Jahnke, Hannes RWTH Aachen University https://doi.org/10.18154/rwth-2020-04543	text	January 2020
Chemical, Structural, and Electronic Aspects of Formation and Degradation Behavior on Different Length Scales of Ni‐Rich NCM and Li‐Rich HE‐NCM Cathode Materials in Li‐Ion Batteries De Biasi, Lea; Schwarz, Björn; Brezesinski, Torsten Karlsruhe https://doi.org/10.5445/ir/1000094297	text	January 2019
Interphases in Electroactive Suspension Systems: Where Chemistry Meets Mesoscale Physics Shukla, Garima; Franco, Alejandro A. Batteries & Supercaps, Vol. 2, Issue 7 https://doi.org/10.1002/batt.201900084	journal	July 2019
One law to rule them all: Stretched exponential master curve of capacity fade for Li-ion batteries Cuervo-Reyes, Eduardo; Flueckiger, Reto arXiv https://doi.org/10.48550/arxiv.1902.05787	preprint	January 2019
Lattice doping regulated interfacial reactions in cathode for enhanced cycling stability Zou, Lianfeng; Li, Jianyu; Liu, Zhenyu Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-11299-2	journal	August 2019

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