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

Abstract

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.

Authors:
ORCiD logo [1];  [1];  [1]
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  1. Northwestern Univ., Evanston, IL (United States)
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
USDOE Office of Science (SC); Hanbat National University
OSTI Identifier:
1464821
Resource Type:
Accepted Manuscript
Journal Name:
ACS Applied Materials and Interfaces
Additional Journal Information:
Journal Volume: 9; Journal Issue: 18; Journal ID: ISSN 1944-8244
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
ENGLISH
Subject:
36 MATERIALS SCIENCE; tin anodes; lithiation strain; diffusion-stress coupling; active layer; stacking sequence

Citation Formats

Cho, Hoon-Hwe, Glazer, Matthew P. B., and Dunand, David C. Modeling of Stresses and Strains during (De)Lithiation of Ni3Sn2-Coated Nickel Inverse-Opal Anodes. United States: N. p., 2017. Web. doi:10.1021/acsami.7b01640.
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Cho, Hoon-Hwe, Glazer, Matthew P. B., & Dunand, David C. Modeling of Stresses and Strains during (De)Lithiation of Ni3Sn2-Coated Nickel Inverse-Opal Anodes. United States. https://doi.org/10.1021/acsami.7b01640
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Cho, Hoon-Hwe, Glazer, Matthew P. B., and Dunand, David C. Fri . "Modeling of Stresses and Strains during (De)Lithiation of Ni3Sn2-Coated Nickel Inverse-Opal Anodes". United States. https://doi.org/10.1021/acsami.7b01640. https://www.osti.gov/servlets/purl/1464821.
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@article{osti_1464821,
title = {Modeling of Stresses and Strains during (De)Lithiation of Ni3Sn2-Coated Nickel Inverse-Opal Anodes},
author = {Cho, Hoon-Hwe and Glazer, Matthew P. B. and Dunand, David C.},
abstractNote = {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.},
doi = {10.1021/acsami.7b01640},
journal = {ACS Applied Materials and Interfaces},
number = 18,
volume = 9,
place = {United States},
year = {Fri Apr 28 00:00:00 EDT 2017},
month = {Fri Apr 28 00:00:00 EDT 2017}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1021/acsami.7b01640
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Citation Metrics:
Cited by: 15 works
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Figures / Tables:

Figure 1 Figure 1: (a) Three-dimensional (3D) mesh structure of the RVE for a Ni inverse-opal electrode coated with a 30 nm thick Ni3Sn2 active layer (thin layer). The Ni3Sn2 and Ni structures have 9063 and 696 tetrahedral elements, respectively. (b) Comparison of the computed and measured strain evolution in the Nimore » scaffold over five lithiation−delithiation cycles (marked L and D) starting from the fourth cycle. The two solid lines indicate the computed strains (the black and red lines correspond to the minimum principal strain and one-third of the volumetric strain, respectively); the hollow symbols represent measured strain data: in-plane average crystallographic strains measured from Ni (200) and (311) diffraction peaks (blue square and magenta circle, for two different volumes in the same specimens, labeled I and III) to illustrate reproducibility. The sizes of the symbols for the experimental data are larger than the uncertainty of the measured strains.« less
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    Works referencing / citing this record:

    The Influence of Surface Stress on the Chemo-Mechanical Behavior of Inverse-Opal-Structured Electrodes for Lithium-Ion Batteries
    journal, January 2020

    • Stein, Peter; Wissel, Sebastian; Xu, Bai-Xiang
    • Journal of The Electrochemical Society, Vol. 167, Issue 1
    • DOI: 10.1149/2.0292001jes
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