Computational study on impurities poisoning and degradation of an SOFC anode based on density functional theory

T. Ogura, K. Nakao, T. Ishimoto, M. Koyama

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

    1 Citation (Scopus)

    Abstract

    Solid oxide fuel cells (SOFCs) are expected to be the most efficient and versatile system for chemical to electrical energy conversion. One of advantages of SOFC is the possibility of direct utilization of various types of hydrocarbon fuels. It is however well known that fuel impurities in practical SOFC fuels such as sulfur compounds could cause SOFC poisoning or degradation. Therefore, understanding the effect of impurities on an atomic scale is essential to develop impurity-tolerant SOFCs with long-term durability. Here, we have studied the poisoning and degradation mechanisms of nickel anode by typical impurities, i.e. hydrogen sulfide, hydrogen chloride, etc., using density functional theory method.

    Original languageEnglish
    Title of host publicationSolid Oxide Fuel Cells 12, SOFC XII
    Pages853-858
    Number of pages6
    Edition2 PART 2
    DOIs
    Publication statusPublished - Dec 1 2011
    Event12th International Symposium on Solid Oxide Fuel Cells, SOFC-XII - 219th ECS Meeting - Montreal, QC, Canada
    Duration: May 1 2011May 6 2011

    Publication series

    NameECS Transactions
    Number2 PART 2
    Volume35
    ISSN (Print)1938-5862
    ISSN (Electronic)1938-6737

    Other

    Other12th International Symposium on Solid Oxide Fuel Cells, SOFC-XII - 219th ECS Meeting
    Country/TerritoryCanada
    CityMontreal, QC
    Period5/1/115/6/11

    All Science Journal Classification (ASJC) codes

    • Engineering(all)

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