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Modelling charge transport in lithium-Ion batteries

Modelling charge transport in lithium-Ion batteries
Modelling charge transport in lithium-Ion batteries
Lithium-ion batteries are highly considered for rechargeable storage devices due to their competitive theoretical capacities and energy densities; they have shown great potential for use in electric and hybrid vehicles. Having already found use in smaller portable devices, research now pushes to increase their efficiency through the use of models to better understand the processes occurring and by studying materials for new designs. In this thesis, we first focus on the charge transport occurring within the electrolyte before considering the intercalation of lithium within electrode particles. We begin by giving an overview of the structure and current development of a lithium-ion battery before discussing the equations to describe the movements of ions in the electrolyte phase. We discuss the application of these equations to a dilute electrolyte and then introduce moderately concentrated electrolyte theory, where we now consider the interactions between ions. We present an ion-hopping model using a Monte Carlo algorithm to simulate these ionic interactions and the effect on their movements. We use this model to find the activity coefficients of electrolytes composed of LiP F6 using various solvents. We discuss single-particle models and how they can be used to simplify computationally intensive models such as the Doyle-Fuller-Newman model. A study of quantum tunnelling and solving the Schrodinger equation is presented, which we apply to LiF eP O4 and LiCoO2 cathodes to investigate electron tunnelling as a potential cause of electrode degradation and electrolyte decomposition.
University of Southampton
Culverhouse, Ethan
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Culverhouse, Ethan
18779ab8-30c1-4424-9a38-9ae9003fe62e
Richardson, Giles
3fd8e08f-e615-42bb-a1ff-3346c5847b91
Howls, Christopher
66d3f0f0-376c-4f7a-a206-093935e6c560

Culverhouse, Ethan (2024) Modelling charge transport in lithium-Ion batteries. University of Southampton, Doctoral Thesis, 166pp.

Record type: Thesis (Doctoral)

Abstract

Lithium-ion batteries are highly considered for rechargeable storage devices due to their competitive theoretical capacities and energy densities; they have shown great potential for use in electric and hybrid vehicles. Having already found use in smaller portable devices, research now pushes to increase their efficiency through the use of models to better understand the processes occurring and by studying materials for new designs. In this thesis, we first focus on the charge transport occurring within the electrolyte before considering the intercalation of lithium within electrode particles. We begin by giving an overview of the structure and current development of a lithium-ion battery before discussing the equations to describe the movements of ions in the electrolyte phase. We discuss the application of these equations to a dilute electrolyte and then introduce moderately concentrated electrolyte theory, where we now consider the interactions between ions. We present an ion-hopping model using a Monte Carlo algorithm to simulate these ionic interactions and the effect on their movements. We use this model to find the activity coefficients of electrolytes composed of LiP F6 using various solvents. We discuss single-particle models and how they can be used to simplify computationally intensive models such as the Doyle-Fuller-Newman model. A study of quantum tunnelling and solving the Schrodinger equation is presented, which we apply to LiF eP O4 and LiCoO2 cathodes to investigate electron tunnelling as a potential cause of electrode degradation and electrolyte decomposition.

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Published date: March 2024

Identifiers

Local EPrints ID: 488529
URI: http://eprints.soton.ac.uk/id/eprint/488529
PURE UUID: c2c48392-4514-474c-8fcc-a3ccf3f85e71
ORCID for Ethan Culverhouse: ORCID iD orcid.org/0009-0005-3528-1812
ORCID for Giles Richardson: ORCID iD orcid.org/0000-0001-6225-8590
ORCID for Christopher Howls: ORCID iD orcid.org/0000-0001-7989-7807

Catalogue record

Date deposited: 26 Mar 2024 17:45
Last modified: 16 May 2024 01:50

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Contributors

Author: Ethan Culverhouse ORCID iD
Thesis advisor: Giles Richardson ORCID iD
Thesis advisor: Christopher Howls ORCID iD

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