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• W285261142 abstract "The catalytic activities, to the reduction of SO2 by CO, of clusters PtlAum (l + m = 2) with or without preadsorbing CO molecules are investigated using first-principles density functional theory. We find that the PtAu(CO)n (n = 1–3) clusters show more excellent catalytic properties than either pure metallic catalysts. Preadsorption of CO to the catalysts could effectively avoid platinum-based catalyst sulfur poisoning; as more CO molecules preadsorbed to the catalysts, the energy barriers for the carbonyl sulfide (COS) molecule’s desorption from the catalyst are remarkably decreased. We propose an ideal catalytic cycle to simultaneously get rid of SO2 and CO over the catalysts PtAu(CO)3." @default.
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• W285261142 date "2012-11-14" @default.
• W285261142 modified "2023-10-16" @default.
• W285261142 title "Catalytic Reduction of SO₂ by CO over Pt_<i>l</i>Au_<i>m</i>(CO)_<i>n</i>: A First-Principles Investigation" @default.
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• W285261142 doi "https://doi.org/10.1021/jp306620b" @default.
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