Theoretical study on oxygen vacancy formation at LSC/GDC interface

T. Ishimoto, K. Sato, M. Koyama

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


    One of the important factors to improve the cathode activity is the electronic structure of cathode materials in solid oxide fuel cell. In this study, we analyzed the formation energy of oxygen vacancy (VO) near the La1-xSrxCoO3-d (LSC) surface in CeO2 or gadolinium-doped CeO2 (GDC)-LSC interface model by using the density functional theory. We found the electron transfer from CeO2 to LSC region due to the difference of density of states. Stable formation energy of VO from LSC surface in CeO2-LSC interface model was obtained. The formation energy of VO in LSC near GDC interface was more stable than CeO2 interface. We clearly found that the different electronic structure in CeO2/GDCLSC interface affects the difference of VO formation in LSC.

    Original languageEnglish
    Title of host publicationECS Transactions
    EditorsS. C. Singhal, T. Kawada
    PublisherElectrochemical Society Inc.
    Number of pages6
    ISBN (Electronic)9781607688150, 9781607688150
    Publication statusPublished - May 30 2017
    Event15th International Symposium on Solid Oxide Fuel Cells, SOFC 2017 - Hollywood, United States
    Duration: Jul 23 2017Jul 28 2017

    Publication series

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


    Other15th International Symposium on Solid Oxide Fuel Cells, SOFC 2017
    Country/TerritoryUnited States

    All Science Journal Classification (ASJC) codes

    • General Engineering


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