Simulation of bi-layer cathode materials with experimentally validated parameters to improve ion diffusion and discharge capacity
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Author(s)
Chowdhury, Ridwanur
Banerjee, Aayan
Zhao, Yan
Liu, Xinhua
Brandon, Nigel
Type
Journal Article
Abstract
The prospect of thick graded electrodes for both higher energy and higher-power densities in lithium-ion batteries is investigated. The simulation results discussed in previous reports on next-generation graded electrodes do not recognize the effect of material processing conditions on microstructural, transport and kinetic parameters. Hence, in this work, we focus on the effect of material processing conditions on particle morphology and its subsequent influence on microstructure (porosity and tortuosity), along with the resultant transport (solid-phase diffusivity) and kinetic (reaction rate constant) properties of synthesized single-layer cathodes. These experimental insights are employed to simulate the benefits of 400 μm thick bi-layer graded cathodes with two different particle sizes and porosities in each layer. The microstructural, transport, and kinetic information are obtained through 3D imaging and electrochemical impedance spectroscopy (EIS) techniques. These parameters are used to develop bi-layer numerical models to understand transport phenomena and to predict cell performance with such graded structures. Simulation results highlight that bi-layer cathodes display higher electrode utilization (solid phase lithiation) next to the current-collector compared to conventional monolayer cathodes with an increase of 39.2% in first discharge capacity at 2C. Additionally, the simulations indicate that an improvement of 47.7% in energy density, alongside a marginal increase of 0.6% in power density, can be achieved at 4C by structuring the porosity in the layer next to the separator to be higher than the porosity in the layer next to the current-collector.
Date Issued
2021-01-25
Date Acceptance
2021-01-24
Citation
Sustainable Energy and Fuels, 2021, 5 (4), pp.1103-1119
ISSN
2398-4902
Publisher
Royal Society of Chemistry
Start Page
1103
End Page
1119
Journal / Book Title
Sustainable Energy and Fuels
Volume
5
Issue
4
Copyright Statement
© The Royal Society of Chemistry 2021. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
License URL
Identifier
https://pubs.rsc.org/en/content/articlelanding/2021/SE/D0SE01611J#!divAbstract
Publication Status
Published
Date Publish Online
2021-01-25