Single atom alloys <i>vs.</i> phase separated alloys in Cu, Ag, and Au atoms with Ni(111) and Ni, Pd, and Pt atoms with Cu(111): a theoretical exploration

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  • Junqing Yin
    Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Goryo-Ohara 1-30, Nishikyo-ku, Kyoto 615-8245, Japan
  • Masahiro Ehara
    Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Goryo-Ohara 1-30, Nishikyo-ku, Kyoto 615-8245, Japan
  • Shigeyoshi Sakaki
    Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Goryo-Ohara 1-30, Nishikyo-ku, Kyoto 615-8245, Japan

Description

<jats:p>Combination of 3d metal host and 5d metal guest tends to form single-atom alloy. That of 3d metal host and 3d metal guest tends to form phase-separated alloy. The 4d metal guest exhibits intermediate behavior between 3d and 5d metal guests.</jats:p>

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