A coupled electrochemomechanical model for the cycling of a Cu15Si[formula omitted]-hosted silicon nanowire.

In this paper, we present and analyse a coupled electrochemomechanical model for the cycling of a nanowire composed of amorphous Si coated on Cu 15 Si 4 , 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. • Model for massive swelling of Cu 15 Si 4 -hosted Si nanowire in a Li-ion battery anode. • Model linked to experimental half-cell results at three charging rates. • Density Function Theory computations to determine unknown parameters. • Unexpected charging behaviour at the Cu 15 Si 4 -silicon interface. [ABSTRACT FROM AUTHOR]