3D microstructure design of lithium-ion battery electrodes assisted by X-ray nano-computed tomography and modelling

Driving range and fast charge capability of electric vehicles are heavily dependent on the 3D microstructure of lithium-ion batteries (LiBs) and substantial fundamental research is required to optimise electrode design for specific operating conditions. Here we have developed a full microstructure-r...

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Published in:	Nature communications Vol. 11; no. 1; pp. 2079 - 13
Main Authors:	Lu, Xuekun, Bertei, Antonio, Finegan, Donal P., Tan, Chun, Daemi, Sohrab R., Weaving, Julia S., O’Regan, Kieran B., Heenan, Thomas M. M., Hinds, Gareth, Kendrick, Emma, Brett, Dan J. L., Shearing, Paul R.
Format:	Journal Article
Language:	English
Published:	London Nature Publishing Group UK 29.04.2020 Nature Publishing Group Nature Portfolio
Subjects:	119/118 639/166/898 639/301/930/2735 639/4077/4079/891 ADVANCED PROPULSION SYSTEMS Calendering computational modeling computational modelling Computed tomography Current distribution Design optimization Electric vehicles Electrochemical analysis Electrochemistry electrode design Electrodes heterogeneity Humanities and Social Sciences Ion transport Lithium Lithium-ion batteries Microstructure multidisciplinary NMC microstructure Particle size distribution Performance enhancement Porosity Rechargeable batteries Science Science (multidisciplinary) Size distribution solid-state diffusion Superposition (mathematics) Three dimensional models Tortuosity X-ray computed tomography
ISSN:	2041-1723, 2041-1723
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Abstract	Driving range and fast charge capability of electric vehicles are heavily dependent on the 3D microstructure of lithium-ion batteries (LiBs) and substantial fundamental research is required to optimise electrode design for specific operating conditions. Here we have developed a full microstructure-resolved 3D model using a novel X-ray nano-computed tomography (CT) dual-scan superimposition technique that captures features of the carbon-binder domain. This elucidates how LiB performance is markedly affected by microstructural heterogeneities, particularly under high rate conditions. The elongated shape and wide size distribution of the active particles not only affect the lithium-ion transport but also lead to a heterogeneous current distribution and non-uniform lithiation between particles and along the through-thickness direction. Building on these insights, we propose and compare potential graded-microstructure designs for next-generation battery electrodes. To guide manufacturing of electrode architectures, in-situ X-ray CT is shown to reliably reveal the porosity and tortuosity changes with incremental calendering steps. The 3D microstructure of the electrode predominantly determines the electrochemical performance of Li-ion batteries. Here, the authors show that the microstructural heterogeneities lead to non-uniform Li insertion and current distribution while graded-microstructures improve the performance.
AbstractList	Driving range and fast charge capability of electric vehicles are heavily dependent on the 3D microstructure of lithium-ion batteries (LiBs) and substantial fundamental research is required to optimise electrode design for specific operating conditions. Here we have developed a full microstructure-resolved 3D model using a novel X-ray nano-computed tomography (CT) dual-scan superimposition technique that captures features of the carbon-binder domain. This elucidates how LiB performance is markedly affected by microstructural heterogeneities, particularly under high rate conditions. The elongated shape and wide size distribution of the active particles not only affect the lithium-ion transport but also lead to a heterogeneous current distribution and non-uniform lithiation between particles and along the through-thickness direction. Building on these insights, we propose and compare potential graded-microstructure designs for next-generation battery electrodes. To guide manufacturing of electrode architectures, in-situ X-ray CT is shown to reliably reveal the porosity and tortuosity changes with incremental calendering steps. Driving range and fast charge capability of electric vehicles are heavily dependent on the 3D microstructure of lithium-ion batteries (LiBs) and substantial fundamental research is required to optimise electrode design for specific operating conditions. Here we have developed a full microstructure-resolved 3D model using a novel X-ray nano-computed tomography (CT) dual-scan superimposition technique that captures features of the carbon-binder domain. This elucidates how LiB performance is markedly affected by microstructural heterogeneities, particularly under high rate conditions. The elongated shape and wide size distribution of the active particles not only affect the lithium-ion transport but also lead to a heterogeneous current distribution and non-uniform lithiation between particles and along the through-thickness direction. Building on these insights, we propose and compare potential graded-microstructure designs for next-generation battery electrodes. To guide manufacturing of electrode architectures, in-situ X-ray CT is shown to reliably reveal the porosity and tortuosity changes with incremental calendering steps. The 3D microstructure of the electrode predominantly determines the electrochemical performance of Li-ion batteries. Here, the authors show that the microstructural heterogeneities lead to non-uniform Li insertion and current distribution while graded-microstructures improve the performance. The 3D microstructure of the electrode predominantly determines the electrochemical performance of Li-ion batteries. Here, the authors show that the microstructural heterogeneities lead to non-uniform Li insertion and current distribution while graded-microstructures improve the performance. Driving range and fast charge capability of electric vehicles are heavily dependent on the 3D microstructure of lithium-ion batteries (LiBs) and substantial fundamental research is required to optimise electrode design for specific operating conditions. Here we have developed a full microstructure-resolved 3D model using a novel X-ray nano-computed tomography (CT) dual-scan superimposition technique that captures features of the carbon-binder domain. This elucidates how LiB performance is markedly affected by microstructural heterogeneities, particularly under high rate conditions. The elongated shape and wide size distribution of the active particles not only affect the lithium-ion transport but also lead to a heterogeneous current distribution and non-uniform lithiation between particles and along the through-thickness direction. Building on these insights, we propose and compare potential graded-microstructure designs for next-generation battery electrodes. To guide manufacturing of electrode architectures, in-situ X-ray CT is shown to reliably reveal the porosity and tortuosity changes with incremental calendering steps.Driving range and fast charge capability of electric vehicles are heavily dependent on the 3D microstructure of lithium-ion batteries (LiBs) and substantial fundamental research is required to optimise electrode design for specific operating conditions. Here we have developed a full microstructure-resolved 3D model using a novel X-ray nano-computed tomography (CT) dual-scan superimposition technique that captures features of the carbon-binder domain. This elucidates how LiB performance is markedly affected by microstructural heterogeneities, particularly under high rate conditions. The elongated shape and wide size distribution of the active particles not only affect the lithium-ion transport but also lead to a heterogeneous current distribution and non-uniform lithiation between particles and along the through-thickness direction. Building on these insights, we propose and compare potential graded-microstructure designs for next-generation battery electrodes. To guide manufacturing of electrode architectures, in-situ X-ray CT is shown to reliably reveal the porosity and tortuosity changes with incremental calendering steps. Driving range and fast charge capability of electric vehicles are heavily dependent on the 3D microstructure of lithium-ion batteries (LiBs) and substantial fundamental research is required to optimise electrode design for specific operating conditions. Here we have developed a full microstructure-resolved 3D model using a novel X-ray nano-computed tomography (CT) dual-scan superimposition technique that captures features of the carbon-binder domain. This elucidates how LiB performance is markedly affected by microstructural heterogeneities, particularly under high rate conditions. The elongated shape and wide size distribution of the active particles not only affect the lithium-ion transport but also lead to a heterogeneous current distribution and non-uniform lithiation between particles and along the through-thickness direction. Building on these insights, we propose and compare potential graded-microstructure designs for next-generation battery electrodes. To guide manufacturing of electrode architectures, in-situ X-ray CT is shown to reliably reveal the porosity and tortuosity changes with incremental calendering steps.The 3D microstructure of the electrode predominantly determines the electrochemical performance of Li-ion batteries. Here, the authors show that the microstructural heterogeneities lead to non-uniform Li insertion and current distribution while graded-microstructures improve the performance.
ArticleNumber	2079
Author	Daemi, Sohrab R. O’Regan, Kieran B. Bertei, Antonio Lu, Xuekun Heenan, Thomas M. M. Shearing, Paul R. Finegan, Donal P. Hinds, Gareth Brett, Dan J. L. Kendrick, Emma Weaving, Julia S. Tan, Chun
Author_xml	– sequence: 1 givenname: Xuekun surname: Lu fullname: Lu, Xuekun organization: Electrochemical Innovation Lab, Department of Chemical Engineering, University College London, National Physical Laboratory, The Faraday Institution – sequence: 2 givenname: Antonio surname: Bertei fullname: Bertei, Antonio organization: Department of Civil and Industrial Engineering, University of Pisa – sequence: 3 givenname: Donal P. orcidid: 0000-0003-4633-560X surname: Finegan fullname: Finegan, Donal P. organization: National Renewable Energy Laboratory – sequence: 4 givenname: Chun orcidid: 0000-0002-0617-9887 surname: Tan fullname: Tan, Chun organization: Electrochemical Innovation Lab, Department of Chemical Engineering, University College London, The Faraday Institution – sequence: 5 givenname: Sohrab R. surname: Daemi fullname: Daemi, Sohrab R. organization: Electrochemical Innovation Lab, Department of Chemical Engineering, University College London – sequence: 6 givenname: Julia S. surname: Weaving fullname: Weaving, Julia S. organization: Electrochemical Innovation Lab, Department of Chemical Engineering, University College London – sequence: 7 givenname: Kieran B. orcidid: 0000-0002-5266-594X surname: O’Regan fullname: O’Regan, Kieran B. organization: The Faraday Institution, School of Metallurgy and Materials, University of Birmingham – sequence: 8 givenname: Thomas M. M. orcidid: 0000-0001-9912-4772 surname: Heenan fullname: Heenan, Thomas M. M. organization: Electrochemical Innovation Lab, Department of Chemical Engineering, University College London, The Faraday Institution – sequence: 9 givenname: Gareth surname: Hinds fullname: Hinds, Gareth organization: National Physical Laboratory – sequence: 10 givenname: Emma orcidid: 0000-0002-4219-964X surname: Kendrick fullname: Kendrick, Emma organization: The Faraday Institution, School of Metallurgy and Materials, University of Birmingham – sequence: 11 givenname: Dan J. L. surname: Brett fullname: Brett, Dan J. L. organization: Electrochemical Innovation Lab, Department of Chemical Engineering, University College London, The Faraday Institution – sequence: 12 givenname: Paul R. surname: Shearing fullname: Shearing, Paul R. email: p.shearing@ucl.ac.uk organization: Electrochemical Innovation Lab, Department of Chemical Engineering, University College London, The Faraday Institution
BackLink	https://www.ncbi.nlm.nih.gov/pubmed/32350275$$D View this record in MEDLINE/PubMed https://www.osti.gov/servlets/purl/1659982$$D View this record in Osti.gov
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Snippet	Driving range and fast charge capability of electric vehicles are heavily dependent on the 3D microstructure of lithium-ion batteries (LiBs) and substantial... The 3D microstructure of the electrode predominantly determines the electrochemical performance of Li-ion batteries. Here, the authors show that the...
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SubjectTerms	119/118 639/166/898 639/301/930/2735 639/4077/4079/891 ADVANCED PROPULSION SYSTEMS Calendering computational modeling computational modelling Computed tomography Current distribution Design optimization Electric vehicles Electrochemical analysis Electrochemistry electrode design Electrodes heterogeneity Humanities and Social Sciences Ion transport Lithium Lithium-ion batteries Microstructure multidisciplinary NMC microstructure Particle size distribution Performance enhancement Porosity Rechargeable batteries Science Science (multidisciplinary) Size distribution solid-state diffusion Superposition (mathematics) Three dimensional models Tortuosity X-ray computed tomography
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Title	3D microstructure design of lithium-ion battery electrodes assisted by X-ray nano-computed tomography and modelling
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