Theoretical study of support effect of Au catalyst for glucose oxidation of alkaline fuel cell anode

Takayoshi Ishimoto, Yumi Hamatake, Hiroki Kazuno, Takayuki Kishida, Michihisa Koyama

    研究成果: ジャーナルへの寄稿学術誌査読

    24 被引用数 (Scopus)

    抄録

    We theoretically analyzed the glucose oxidation reaction mechanism and reaction activity of Au catalyst supported by carbon (graphite(0 0 0 1), (1 0 1¯ 0), and (1 1 2¯ 0)) and oxide (ZrO2(1 1 1) and SnO2(1 1 0)) in alkaline solution environment by using density functional theory method. We observed large stabilization of Au catalyst on support materials due to the electron transfer in the case of graphite(1 1 2¯ 0) and SnO2(1 1 0) systems. The catalytic activity for glucose oxidation reaction over Au supported by graphite(1 0 1¯ 0) and (1 1 2¯ 0) is calculated to be low in comparison with those of unsupported system. We found that SnO2(1 1 0) supported Au catalyst shows high activity toward the glucose oxidation. One of the main factors for the observed high catalytic activity is charge transfer from Au catalyst to support materials. When the atomic charge of Au catalyst becomes positive by the support effect, the activity of glucose oxidation reaction on Au catalyst is improved.

    本文言語英語
    ページ(範囲)76-81
    ページ数6
    ジャーナルApplied Surface Science
    324
    DOI
    出版ステータス出版済み - 1月 1 2015

    !!!All Science Journal Classification (ASJC) codes

    • 化学 (全般)
    • 凝縮系物理学
    • 物理学および天文学(全般)
    • 表面および界面
    • 表面、皮膜および薄膜

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