(Invited) understanding and controlling chemo-mechanical coupling in perovskite oxides

N. H. Perry, D. Marrocchelli, S. R. Bishop, H. L. Tuller

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    3 Citations (Scopus)

    Abstract

    Mixed ionic and electronic conducting perovskites that can readily exchange oxygen with the atmosphere exhibit a chemo-mechanical coupling between their oxygen content and their lattice dimensions. The lattice dilation accompanying oxygen loss, termed "chemical expansion," causes large chemical stresses in devices during operation that can lead to mechanical failure. This paper describes our work aimed at understanding, across multiple length scales, which factors impact chemical expansion coefficients in perovskites. Polycrystalline gallate and titanate perovskites containing multivalent Ni, Fe, and Co have been studied using in situ thermogravimetry, dilatometry, and diffraction to probe the chemical expansion process at macroscopic and crystal structure levels. Density functional theory, molecular dynamics, and empirical simulations have provided atomistic insight into changes taking place on the anion and cation sublattices during oxygen loss. Factors impacting the magnitude of the chemo-mechanical coupling, including oxygen vacancy radii, charge localization on cations, temperature, and crystal symmetry have been identified.

    Original languageEnglish
    Title of host publicationMechano-Electro-Chemical Coupling in Energy Related Materials and Devices 2
    EditorsS. R. Bishop, P. Mukherjee, Y.-T. Cheng, J. Rupp
    PublisherElectrochemical Society Inc.
    Pages1-8
    Number of pages8
    Edition24
    ISBN (Electronic)9781607687511
    ISBN (Print)9781623323936
    DOIs
    Publication statusPublished - 2016
    EventSymposium on Mechano-Electro-Chemical Coupling in Energy Related Materials and Devices 2 - 229th ECS Meeting - San Diego, United States
    Duration: May 29 2016Jun 2 2016

    Publication series

    NameECS Transactions
    Number24
    Volume72
    ISSN (Print)1938-6737
    ISSN (Electronic)1938-5862

    Other

    OtherSymposium on Mechano-Electro-Chemical Coupling in Energy Related Materials and Devices 2 - 229th ECS Meeting
    CountryUnited States
    CitySan Diego
    Period5/29/166/2/16

    All Science Journal Classification (ASJC) codes

    • Engineering(all)

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