Theoretical investigation of hydrogen absorption properties of rhodium-silver alloys

Tomoe Yayama, Takayoshi Ishimoto, Michihisa Koyama

    研究成果: Contribution to journalArticle査読

    4 被引用数 (Scopus)

    抄録

    The density of states and the H absorption energy of AgxRh1-x alloys were theoretically investigated by the first-principles method. The electronic structure of the alloys near the Fermi edge was similar to that of Pd, which is known as hydrogen-storage metal, and this indicated the electronic state at the part plays important role to determine the H absorption property. The results showed that the H absorption into the AgxRh1-x alloys was thermodynamically stable and the trend of composition dependence agreed well with the experimental observation. Considering the atomic configuration of alloys, homogeneous structure is found to be a key in the emergence of H absorption nature in this alloy system.

    本文言語英語
    ページ(範囲)404-408
    ページ数5
    ジャーナルJournal of Alloys and Compounds
    662
    DOI
    出版ステータス出版済み - 3 25 2016

    All Science Journal Classification (ASJC) codes

    • Mechanics of Materials
    • Mechanical Engineering
    • Metals and Alloys
    • Materials Chemistry

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