Brittle-to-ductile transition of lithiated silicon electrodes: Crazing to stable nanopore growth
Using first principle calculations, we uncover the underlying mechanisms explaining the
brittle-toductile transition of LixSi electrodes in lithium ion batteries with increasing Li
content. We show that plasticity initiates at x=∼ 0.5 with the formation of a craze-like network
of nanopores separated by Si–Si bonds, while subsequent failure is still brittle-like with the
breaking of Si–Si bonds. Transition to ductile behavior occurs at x⩾ 1 due to the increased
density of highly stretchable Li–Li bonds, which delays nanopore formation and stabilizes …
brittle-toductile transition of LixSi electrodes in lithium ion batteries with increasing Li
content. We show that plasticity initiates at x=∼ 0.5 with the formation of a craze-like network
of nanopores separated by Si–Si bonds, while subsequent failure is still brittle-like with the
breaking of Si–Si bonds. Transition to ductile behavior occurs at x⩾ 1 due to the increased
density of highly stretchable Li–Li bonds, which delays nanopore formation and stabilizes …
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