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Issue 32, 2013
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Multiscale modelling and numerical simulation of rechargeable lithium ion batteries: concepts, methods and challenges

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Abstract

This review focuses on the role of physical theory and computational electrochemistry for fundamental understanding, diagnostics and design of new electrochemical materials and operation conditions for energy storage through rechargeable Li ion batteries (LIBs). More particularly, deep insight based on multiscale physical modelling techniques, spanning scales from few atoms to the device level, can advise about the materials behaviour and aging and how components with optimal specifications could be made and how they can be integrated into operating devices. Concepts and different existing multiscale modelling methodologies are presented and some of the ongoing efforts within the community to understand from physical multiscale modelling and numerical simulation electrochemical mechanisms and degradation processes in LIBs are discussed. Finally, major challenges and perspectives in multiscale modelling for battery applications are highlighted.

Graphical abstract: Multiscale modelling and numerical simulation of rechargeable lithium ion batteries: concepts, methods and challenges

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Publication details

The article was received on 31 Dec 2012, accepted on 03 Apr 2013 and first published on 03 Apr 2013


Article type: Review Article
DOI: 10.1039/C3RA23502E
Citation: RSC Adv., 2013,3, 13027-13058
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    Multiscale modelling and numerical simulation of rechargeable lithium ion batteries: concepts, methods and challenges

    A. A. Franco, RSC Adv., 2013, 3, 13027
    DOI: 10.1039/C3RA23502E

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