Interfacial synergistic effect of the Cu monomer or CuO dimer modified CeO₂(111) catalyst for CO oxidation

Kenneth Wong, Qinghua Zeng, Aibing Yu

    Research output: Contribution to journalArticlepeer-review

    25 Citations (Scopus)

    Abstract

    The synergistic effect at the interface of the bilayer Cu monomer or CuO dimer modified CeO 2(111) catalyst for CO oxidation is investigated with density functional theory calculation. Important factors related to the synergistic effect such as interfacial ionicity, electron transfer, and charge partitioning of the Cu modifications are analyzed in detail for better understanding and control of this catalyst system.
    Original languageEnglish
    Pages (from-to)408-412
    Number of pages5
    JournalChemical Engineering Journal
    Volume174
    Issue number1
    DOIs
    Publication statusPublished - 2011

    Keywords

    • CO oxidation
    • catalysis
    • molecular simulation
    • synergistic effects

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