Accurate voltage prediction for lithium and sodium-ion full-cell development
The cell balance, negative to positive (N:P) electrode ratio, and voltage limits determine the first cycle loss and reversible capacity at different rates and can influence degradation mechanisms and cycle life. This balance needs optimizing for each cell chemistry, electrode mass loading, and cell...
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Elsevier
2024-10-01
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| Series: | Next Energy |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949821X24000711 |
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| author | Yongxiu Chen Yazid Lakhdar Lin Chen Brij Kishore Jaehoon Choi Ethan Williams Dimitra Spathara Roksana Jackowska Emma Kendrick |
| author_facet | Yongxiu Chen Yazid Lakhdar Lin Chen Brij Kishore Jaehoon Choi Ethan Williams Dimitra Spathara Roksana Jackowska Emma Kendrick |
| author_sort | Yongxiu Chen |
| collection | DOAJ |
| description | The cell balance, negative to positive (N:P) electrode ratio, and voltage limits determine the first cycle loss and reversible capacity at different rates and can influence degradation mechanisms and cycle life. This balance needs optimizing for each cell chemistry, electrode mass loading, and cell format, typically performed through empirical optimization. This work provides an accurate predictive tool for calculating full-cell voltages by decoupling the independent electrode potential under the same operating conditions. Full-cell NMC622//Graphite voltages are accurately predicted from low-rate half-cell voltage profiles (pseudo-open circuit voltages) and validated for different N:P ratios, rates, material types, and cell formats. The application of this methodology to several chemistries, including sodium-ion cell chemistry, high power (NMC622//MoNb12O33), and high energy (NMC920305//Graphite-SiOx), is also demonstrated. In addition, each electrode's key thermodynamic and kinetic parameters are extracted from the observed voltage and overpotentials for the negative and positive electrodes at different rates. Elucidating the rate-limiting electrodes and providing further cell balancing information to achieve high power, energy, and lifetime. The extracted parameters can be used in multi-scale models to optimise cell design and performance limitations further. This method promises new and quicker routes for cell optimization for different chemistries and formats. |
| format | Article |
| id | doaj-art-7785a3c960d84c32bc4a71f43d0a5e2b |
| institution | Kabale University |
| issn | 2949-821X |
| language | English |
| publishDate | 2024-10-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Next Energy |
| spelling | doaj-art-7785a3c960d84c32bc4a71f43d0a5e2b2024-12-08T06:13:49ZengElsevierNext Energy2949-821X2024-10-015100166Accurate voltage prediction for lithium and sodium-ion full-cell developmentYongxiu Chen0Yazid Lakhdar1Lin Chen2Brij Kishore3Jaehoon Choi4Ethan Williams5Dimitra Spathara6Roksana Jackowska7Emma Kendrick8School of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, BT15 2TT, UK; The Faraday Institution, Quad One, Becquerel Avenue, Harwell Campus, Didcot, OX11 0RA, UK; Corresponding authors at: School of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, BT15 2TT, UKSchool of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, BT15 2TT, UKSchool of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, BT15 2TT, UKSchool of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, BT15 2TT, UKSchool of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, BT15 2TT, UK; The Faraday Institution, Quad One, Becquerel Avenue, Harwell Campus, Didcot, OX11 0RA, UKSchool of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, BT15 2TT, UK; The Faraday Institution, Quad One, Becquerel Avenue, Harwell Campus, Didcot, OX11 0RA, UKSchool of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, BT15 2TT, UK; The Faraday Institution, Quad One, Becquerel Avenue, Harwell Campus, Didcot, OX11 0RA, UKSchool of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, BT15 2TT, UK; The Faraday Institution, Quad One, Becquerel Avenue, Harwell Campus, Didcot, OX11 0RA, UKSchool of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, BT15 2TT, UK; The Faraday Institution, Quad One, Becquerel Avenue, Harwell Campus, Didcot, OX11 0RA, UK; Corresponding authors at: School of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, BT15 2TT, UKThe cell balance, negative to positive (N:P) electrode ratio, and voltage limits determine the first cycle loss and reversible capacity at different rates and can influence degradation mechanisms and cycle life. This balance needs optimizing for each cell chemistry, electrode mass loading, and cell format, typically performed through empirical optimization. This work provides an accurate predictive tool for calculating full-cell voltages by decoupling the independent electrode potential under the same operating conditions. Full-cell NMC622//Graphite voltages are accurately predicted from low-rate half-cell voltage profiles (pseudo-open circuit voltages) and validated for different N:P ratios, rates, material types, and cell formats. The application of this methodology to several chemistries, including sodium-ion cell chemistry, high power (NMC622//MoNb12O33), and high energy (NMC920305//Graphite-SiOx), is also demonstrated. In addition, each electrode's key thermodynamic and kinetic parameters are extracted from the observed voltage and overpotentials for the negative and positive electrodes at different rates. Elucidating the rate-limiting electrodes and providing further cell balancing information to achieve high power, energy, and lifetime. The extracted parameters can be used in multi-scale models to optimise cell design and performance limitations further. This method promises new and quicker routes for cell optimization for different chemistries and formats.http://www.sciencedirect.com/science/article/pii/S2949821X24000711Lithium/sodium-ion batteriesCell optimizationFull-cell voltage predictionIndependent electrode potentialThermodynamic limitationsRate-limiting electrode |
| spellingShingle | Yongxiu Chen Yazid Lakhdar Lin Chen Brij Kishore Jaehoon Choi Ethan Williams Dimitra Spathara Roksana Jackowska Emma Kendrick Accurate voltage prediction for lithium and sodium-ion full-cell development Next Energy Lithium/sodium-ion batteries Cell optimization Full-cell voltage prediction Independent electrode potential Thermodynamic limitations Rate-limiting electrode |
| title | Accurate voltage prediction for lithium and sodium-ion full-cell development |
| title_full | Accurate voltage prediction for lithium and sodium-ion full-cell development |
| title_fullStr | Accurate voltage prediction for lithium and sodium-ion full-cell development |
| title_full_unstemmed | Accurate voltage prediction for lithium and sodium-ion full-cell development |
| title_short | Accurate voltage prediction for lithium and sodium-ion full-cell development |
| title_sort | accurate voltage prediction for lithium and sodium ion full cell development |
| topic | Lithium/sodium-ion batteries Cell optimization Full-cell voltage prediction Independent electrode potential Thermodynamic limitations Rate-limiting electrode |
| url | http://www.sciencedirect.com/science/article/pii/S2949821X24000711 |
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