Twinning in fcc lattice creates low-coordinated catalytically active sites in porous gold

Marian Krajčí, Satoshi Kameoka, An Pang Tsai

    研究成果: Article査読

    10 被引用数 (Scopus)

    抄録

    We describe a new mechanism for creation of catalytically active sites in porous gold. Samples of porous gold prepared by de-alloying Al2Au exhibit a clear correlation between the catalytic reactivity towards CO oxidation and structural defects in the fcc lattice of Au. We have found that on the stepped {211} surfaces quite common twin boundary defects in the bulk structure of porous gold can form long close-packed rows of atoms with the coordination number CN = 6. DFT calculations confirm that on these low-coordinated Au sites dioxygen chemisorbs and CO oxidation can proceed via the Langmuir-Hinshelwood mechanism with the activation energy of 37 kJ/mol or via the CO-OO intermediate with the energy barrier of 19 kJ/mol. The existence of the twins in porous gold is stabilized by the surface energy.

    本文言語English
    論文番号084703
    ジャーナルJournal of Chemical Physics
    145
    8
    DOI
    出版ステータスPublished - 2016 8 28

    ASJC Scopus subject areas

    • 物理学および天文学(全般)
    • 物理化学および理論化学

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