Just Accepted – Devine et al. – A coupled electrochemomechanical model for the cycling of a Cu15Si-hosted silicon nanowire – Journal of Power Sources, 2022, Volume 529, 1 May 2022, 231197

Kevin M. Devinea1, D. O’Kielya, Michael Vynnyckya, F. Silverib, A. Tommasib, S. Abinayac,d, H. Geaneyc,d, K. M. Ryanc, d

aMathematics Applications Consortium for Science and Industry (MACSI), Department of Mathematics and Statistics, University of Limerick, Limerick, V94 T9PX, IrelandbGemmate Technologies SRL, Via Reano 31, Buttigliera Alta 10090, ItalycDepartment of Chemical Sciences, University of Limerick, Limerick, V94 T9PX, IrelanddBernal Institute, University of Limerick, Limerick, V94 T9PX, Ireland

Received 23 November 2021, Revised 19 January 2022, Accepted 15 February 2022, Available online 9 March 2022, Version of Record 9 March 2022.
Link to Paper:

Abstract:
In this paper, we present and analyse a coupled electrochemomechanical model for the cycling of a nanowire composed of amorphous Si coated on Cu15Si4, using large-deformation theory. This study is motivated by a recent novel design for the anode current collector in a lithium-ion battery, and the modelling efforts are linked to half-cell experiments at three different charging rates (C/10,C/2,2C). The model predicts that nanowire buckling should occur on the first charging cycle, and this agrees with the appearance of fracturing on the corresponding transmission electron microscopy image. In addition, the model predicts some new behaviours that were not discussed in earlier electrochemomechanical models of similar type; among these is the possibility that the electrode may locally reach full charge first in its interior, rather than at its outer surface.

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