摘要：SummaryBiomimetic catalysts have drawn broad research interest owing to both high specificity and excellent catalytic activity. Herein, we report a series of biomimetic catalysts by the integration of biomolecules (hemin or ferrous phthalocyanine) onto well-defined Au/CeO2, which leads to the high-performance CO oxidation catalysts. Strong electronic interactions among the biomolecule, Au, and CeO2were confirmed, and the CO uptake over hemin-Au/CeO2was roughly about 8 times greater than Au/CeO2. Based on the Au/CeO2(111) and hemin-Au/CeO2(111) models, the density functional theory calculations reveal the mechanisms of the biomolecules-assisted catalysis process. The theoretical prediction suggests that CO and O2molecules preferentially bind to the surface of noncontacting Au atoms (low-coordinated sites) rather than the biomolecule sites, and the accelerating oxidation of Au-bound CO occurs via either the Langmuir-Hinshelwood mechanism or the Mars-van Krevelen mechanism. Accordingly, the findings provide useful insights into developing biomimetic catalysts with low cost and high activity.Graphical AbstractDisplay OmittedHighlights•Biomimetic catalysts were prepared by the integration of biomolecules with Au/CeO2•The experimental TOF of hemin-Au/CeO2was ca. 30 times higher than that of Au/CeO2•Strong electronic interactions facilitate the adsorption and activation of CO molecule•DFT calculations reveal the mechanisms of enhanced activity of biomimetic catalystsChemistry; Inorganic Chemistry: Catalysis; Engineering
