Next-generation lithium ion batteries are expected to demonstrate superior energy and power density with longer cycle life for successful electrification of the automobile, aviation, and marine industries. Adoption of lithium metal anodes with solid electrolytes can help to achieve that goal given that the dendrite-related issues are solved eventually. Another possibility is to use Ni-rich high-capacity NMC cathode materials with liquid and/or solid electrolytes, which presently experiences rapid capacity fade while charged to higher voltages. Several mechanical and chemical degradation mechanisms are active within these NMC-based cathode particles. Recent experimental research activities attempted to correlate the mechanical damage with the capacity fade experienced by Ni-rich LiNixMnyCozO2 (x+y+z = 1) (NMC) cathodes. Here, a computational framework is developed in this study capable of quantifying the evolution of inter primary particle and cathode/electrolyte interfacial fracture experienced by the poly- and single-crystalline NMC cathodes during charge/discharge operation. Influences of mechanical degradation on the overall cell capacity, while operating with liquid and/or solid electrolytes, are successfully characterized. Decreasing the size of the cathode primary particles, or the size of the single-crystalline cathodes, can mitigate the overall mechanical degradation, and subsequent capacity fade, experienced by NMC cathodes. The developed theoretical methodology can help the engineers and scientists to better understand the mechanical degradation mechanism prevalent in Ni-rich NMC cathodes and build superior lithium ion-based energy storage devices for the application in next-generation devices.
Barai, Pallab. "Computational Elucidation of Mechanical Degradation in NMC Cathodes: Impact on Cell Performance." Journal of Electrochemical Energy Conversion and Storage, vol. 19, no. 4, Jul. 2022. https://doi.org/10.1115/1.4054782
Barai, Pallab (2022). Computational Elucidation of Mechanical Degradation in NMC Cathodes: Impact on Cell Performance. Journal of Electrochemical Energy Conversion and Storage, 19(4). https://doi.org/10.1115/1.4054782
Barai, Pallab, "Computational Elucidation of Mechanical Degradation in NMC Cathodes: Impact on Cell Performance," Journal of Electrochemical Energy Conversion and Storage 19, no. 4 (2022), https://doi.org/10.1115/1.4054782
@article{osti_1909330,
author = {Barai, Pallab},
title = {Computational Elucidation of Mechanical Degradation in NMC Cathodes: Impact on Cell Performance},
annote = {Next-generation lithium ion batteries are expected to demonstrate superior energy and power density with longer cycle life for successful electrification of the automobile, aviation, and marine industries. Adoption of lithium metal anodes with solid electrolytes can help to achieve that goal given that the dendrite-related issues are solved eventually. Another possibility is to use Ni-rich high-capacity NMC cathode materials with liquid and/or solid electrolytes, which presently experiences rapid capacity fade while charged to higher voltages. Several mechanical and chemical degradation mechanisms are active within these NMC-based cathode particles. Recent experimental research activities attempted to correlate the mechanical damage with the capacity fade experienced by Ni-rich LiNixMnyCozO2 (x+y+z = 1) (NMC) cathodes. Here, a computational framework is developed in this study capable of quantifying the evolution of inter primary particle and cathode/electrolyte interfacial fracture experienced by the poly- and single-crystalline NMC cathodes during charge/discharge operation. Influences of mechanical degradation on the overall cell capacity, while operating with liquid and/or solid electrolytes, are successfully characterized. Decreasing the size of the cathode primary particles, or the size of the single-crystalline cathodes, can mitigate the overall mechanical degradation, and subsequent capacity fade, experienced by NMC cathodes. The developed theoretical methodology can help the engineers and scientists to better understand the mechanical degradation mechanism prevalent in Ni-rich NMC cathodes and build superior lithium ion-based energy storage devices for the application in next-generation devices.},
doi = {10.1115/1.4054782},
url = {https://www.osti.gov/biblio/1909330},
journal = {Journal of Electrochemical Energy Conversion and Storage},
issn = {ISSN 2381-6872},
number = {4},
volume = {19},
place = {United States},
publisher = {ASME},
year = {2022},
month = {07}}
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
1909330
Journal Information:
Journal of Electrochemical Energy Conversion and Storage, Journal Name: Journal of Electrochemical Energy Conversion and Storage Journal Issue: 4 Vol. 19; ISSN 2381-6872