Theoretical study on oxygen dissociation reaction on LaSrCoO3

T. Ishimoto, K. Sato, T. Tada, K. Amezawa, M. Koyama

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

    2 Citations (Scopus)

    Abstract

    Doped lanthanum cobaltite and its derivatives are used as cathode materials in solid oxide fuel cell. It is expected that the high catalytic materials for oxygen adsorption and dissociation on oxide surface are found by the controlling the electronic structure of doped lanthanum cobaltite. In this study, we analyzed the stability of oxygen vacancy and surface reaction of oxygen under different spin states of Co ion in Sr doped LaCoO3 by using density functional theory. We clearly found that the difference of oxygen vacancy position and spin state of Co ion affects the reactivity of oxygen on surface.

    Original languageEnglish
    Title of host publicationSolid Oxide Fuel Cells 14, SOFC 2015
    EditorsS. C. Singhal, K. Eguchi
    PublisherElectrochemical Society Inc.
    Pages651-655
    Number of pages5
    Edition1
    ISBN (Electronic)9781607685395
    DOIs
    Publication statusPublished - Jan 1 2015
    Event14th International Symposium on Solid Oxide Fuel Cells, SOFC 2015; held as part of the Electrochemical Society, ECS Conference on Electrochemical Energy Conversion and Storage - Glasgow, United Kingdom
    Duration: Jul 26 2015Jul 31 2015

    Publication series

    NameECS Transactions
    Number1
    Volume68
    ISSN (Print)1938-6737
    ISSN (Electronic)1938-5862

    Other

    Other14th International Symposium on Solid Oxide Fuel Cells, SOFC 2015; held as part of the Electrochemical Society, ECS Conference on Electrochemical Energy Conversion and Storage
    Country/TerritoryUnited Kingdom
    CityGlasgow
    Period7/26/157/31/15

    All Science Journal Classification (ASJC) codes

    • Engineering(all)

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