First-principles calculations of the anodic oxidation reactions of solid oxide fuel cell: Oxygen potential effect on nickel (111) surface

S. Liu, T. Ishimoto, H. Kohno, Michihisa Koyama

    Research output: Contribution to journalArticlepeer-review

    Abstract

    The anodic reactions of solid oxide fuel cells are examined by density functional theory method under different oxygen coverage on the Ni(111) surface. The oxidation reactions H, OH and CO are calculated and the reaction barriers are affected by the oxygen potential. The concept of oxygen potential is introduced to discuss the effect of the surface chemical potential to the oxidation reactions. The results are valuable for estimating the reaction rate of anodic reactions under different oxygen potential near the anodic three phase boundary.

    Original languageEnglish
    Pages (from-to)2429-2436
    Number of pages8
    JournalECS Transactions
    Volume57
    Issue number1
    DOIs
    Publication statusPublished - Jan 1 2013

    All Science Journal Classification (ASJC) codes

    • Engineering(all)

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