First-principles study on oxygen reduction reaction over La1-xSrxCoO3-δ

M. Koyama, T. Ishimoto

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

    2 Citations (Scopus)


    Understanding the electrode kinetics in solid oxide fuel cells is important to realize the highly efficient system. Doped lanthanum cobaltite and its derivatives are used as cathode materials in solid oxide fuel cell. As results of considerable number of studies, it is generally accepted that the dissociative adsorption of oxygen at the cathode surface is one of the rate-determining steps. Toward the rational design of cathode materials, we discuss how the electronic structure affects the surface kinetics of doped cobaltite in this study. We focus on La0.5Sr0.5CoO3-δ (LSC) as cathode material and discuss the properties (001) surface with LaO termination based on density functional theory method. We investigated the oxygen adsorption energy and vacancy formation energy by changing the spin states of Co in LSC. The calculated properties are discussed in the context of the kinetic process of oxygen reduction at LSC surface together with future perspectives.

    Original languageEnglish
    Title of host publicationSolid-Gas Electrochemical Interfaces 2 - SGEI 2
    EditorsB. Yildiz, S. Adler, E. Ivers-Tiffee, T. Kawada
    PublisherElectrochemical Society Inc.
    Number of pages6
    ISBN (Electronic)9781607688136
    Publication statusPublished - 2017
    EventSymposium on Solid-Gas Electrochemical Interfaces 2, SGEI 2017 - 231st ECS Meeting 2017 - New Orleans, United States
    Duration: May 28 2017Jun 1 2017

    Publication series

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


    OtherSymposium on Solid-Gas Electrochemical Interfaces 2, SGEI 2017 - 231st ECS Meeting 2017
    Country/TerritoryUnited States
    CityNew Orleans

    All Science Journal Classification (ASJC) codes

    • General Engineering


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