Modeling of Stresses and Strains during (De)Lithiation of Ni₃Sn₂-Coated Nickel Inverse-Opal Anodes

Journal Article · 28 April 2017 · ACS Applied Materials and Interfaces

DOI: https://doi.org/10.1021/acsami.7b01640 · OSTI ID:1464821

Cho, Hoon-Hwe  ^[1]; Glazer, Matthew P. B. ^[1]; Dunand, David C. ^[1]

---

1. Northwestern Univ., Evanston, IL (United States)

Tin alloy-based anodes supported by inverse-opal nanoscaffolds undergo large volume changes from (de)lithiation during cyclic battery (dis)charging, affecting their mechanical stability. In this work we perform continuum mechanics-based simulation to study the evolution of internal stresses and strains as a function of the geometry of the active layer(s): (i) thickness of Ni₃Sn₂ single layer (30 and 60 nm) and (ii) stacking sequence of Ni₃Sn₂ and amorphous Si in bilayers (60 nm thick). For single Ni3Sn2 active layers, a thinner layer displays higher strains and stresses, which are relevant to mechanical stability, but causes lower strains and stresses in the Ni scaffold. For Ni₃Sn₂-Si bilayers, the stacking sequence significantly affects the deformation of the active layers and thus its mechanical stability due to different lithiation behaviors and volume changes.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
• Sponsoring Organization: USDOE Office of Science (SC); Hanbat National University
• OSTI ID: 1464821
• Journal Information: ACS Applied Materials and Interfaces, Vol. 9, Issue 18; ISSN 1944-8244
• Publisher: American Chemical Society (ACS)Copyright Statement
• Country of Publication: United States
• Language: ENGLISH