Topology-enhanced mechanical stability of swelling nanoporous electrodes

Grossman-Ponemon, Benjamin E.; Mesgarnejad, Ataollah; Karma, Alain

doi:10.1038/s41524-023-01047-y

Title: Topology-enhanced mechanical stability of swelling nanoporous electrodes

Journal Article · 28 June 2023 · npj Computational Materials

DOI: https://doi.org/10.1038/s41524-023-01047-y · OSTI ID:1987720

Grossman-Ponemon, Benjamin E.; Mesgarnejad, Ataollah; Karma, Alain

Abstract Materials like silicon and germanium offer a 10-fold improvement in charge capacity over conventional graphite anodes in lithium-ion batteries but experience a roughly threefold volume increase during lithiation, which challenges ensuring battery integrity. Nanoporous silicon, created by liquid-metal-dealloying, is a potentially attractive anode design to mitigate this challenge, exhibiting both higher capacity and extended cycle lifetimes. However, how nanoporous structures accommodate the large volume change is unknown. Here, we address this question by using phase-field modeling to produce nanoporous particles and to investigate their elastoplastic swelling behavior and fracture. Our simulations show that enhanced mechanical stability results from the network topology consisting of ligaments connected by bulbous, sphere-like nodes. The ligaments forcefully resist elongation while the nodes, behaving like isolated spherical particles, experience large stresses driving fracture. However, being smaller compared to a sphere of the same volume as the entire nanoporous particle, the nodes are more protected against fracture.

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Research Organization:: Northeastern Univ., Boston, MA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-07ER46400

OSTI ID:: 1987720

Journal Information:: npj Computational Materials, Journal Name: npj Computational Materials Journal Issue: 1 Vol. 9; ISSN 2057-3960

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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