Development of First Principles Capacity Fade Model for Li-Ion Cells

P. Ramadass, University of South Carolina - Columbia
Bala Haran, University of South Carolina - Columbia
Parthasarathy M. Gomadam, University of South Carolina - Columbia
Ralph E. White, University of South Carolina - Columbia
Branko N. Popov, University of South Carolina - Columbia

© The Electrochemical Society, Inc. 2004. All rights reserved. Except as provided under U.S. copyright law, this work may not be reproduced, resold, distributed, or modified without the express permission of The Electrochemical Society (ECS). The archival version of this work was published in the Journal of the Electrochemical Society.

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DOI: 10.1149/1.1634273


A first principles-based model has been developed to simulate the capacity fade of Li-ion batteries. Incorporation of a continuous occurrence of the solvent reduction reaction during constant current and constant voltage (CC-CV) charging explains the capacity fade of the battery. The effect of parameters such as end of charge voltage and depth of discharge, the film resistance, the exchange current density, and the over voltage of the parasitic reaction on the capacity fade and battery performance were studied qualitatively. The parameters that were updated for every cycle as a result of the side reaction were state-of-charge of the electrode materials and the film resistance, both estimated at the end of CC-CV charging. The effect of rate of solvent reduction reaction and the conductivity of the film formed were also studied.