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Mathematical Modeling of the Lithium Deposition Overcharge Reaction in Lithium‐Ion Batteries Using Carbon‐Based Negative Electrodes

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Arora, Pankaj, Doyle, Marc, White, Ralph E.·1999·Journal of The Electrochemical Society

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Abstract

The processes that lead to capacity fading affect severely the cycle life and rate behavior of lithium‐ion cells. One such process is the overcharge of the negative electrode causing lithium deposition, which can lead to capacity losses including a loss of active lithium and electrolyte and represents a potential safety hazard. A mathematical model is presented to predict lithium deposition on the negative electrode under a variety of operating conditions. The , 2:1 ethylene carbonate/dimethyl carbonate, poly(vinylidene fluoride‐hexalfuoropropylene)| cell is simulated to investigate the influence of lithium deposition on the charging behavior of intercalation electrodes. The model is used to study the effect of key design parameters (particle size, electrode thickness, and mass ratio) on the lithium deposition overcharge reaction. The model predictions are compared for coke and graphite‐based negative electrodes. The cycling behavior of these cells is simulated before and after overcharge to understand the effect of overcharge on extended cycling. These results can be used to establish operational and design limits within which safety hazards and capacity fade problems, inherent in these cells, can be minimized. © 1999 The Electrochemical Society. All rights reserved.

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Authors: Arora, P., Doyle, M., & White, R. E.
Affiliations: University of South Carolina (US)
DuPont (United States) (US)
ORCID: White, Ralph E.
Venue: Journal of The Electrochemical Society
Publisher: The Electrochemical Society
Published: 1999-10-01
Volume: 146
Issue: 10
Pages: 3543-3553
ISSN: 0013-4651 (ISSN-L)
1945-7111
DOI: 10.1149/1.1392512
OpenAlex: W2059262407
Cited by: 586
References: 0
Citations by year: 2026: 41 · 2025: 58 · 2024: 57 · 2023: 42 · 2022: 46 · 2021: 44 · 2020: 50 · 2019: 44 · 2018: 31 · 2017: 28 · 2016: 17 · 2015: 25 · 2014: 22 · 2013: 11 · 2012: 13
FWCI: 7.60
Type: journal article
Language: en
Open access: bronze
doi.org
Licence: iopscience.iop.org/page/copyright (vor, 7371 d)
iopscience.iop.org/info/page/text-and-data-mining (tdm, 7371 d)
Locations: Journal of The Electrochemical Society (publishedVersion)
Scholar Commons (University of South Carolina) (submittedVersion)
Funders: Office of Research and Development
University of South Carolina
Topics: Physical Sciences › Engineering › Automotive Engineering › Battery Modeling and Management
Physical Sciences › Engineering › Electrical and Electronic Engineering › Advancements in Battery Materials
Physical Sciences › Engineering › Electrical and Electronic Engineering › Advanced Battery Materials and Technologies
Keywords: lithium plating, overcharging, lithium-ion batteries, carbon negative electrode, capacity fade, mathematical modeling, coke, graphite, intercalation electrodes, particle size, electrode thickness, mass ratio, cycling behavior, safety hazards, PVDF-HFP

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Mathematical Modeling of the Lithium Deposition Overcharge Reaction in Lithium‐Ion Batteries Using Carbon‐Based Negative Electrodes

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