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• W4310209077 abstract "Surface oxidation chemistry involves the formation and breaking of metal–oxygen (M–O) bonds. Ideally, the M–O bonding strength determines the rate of oxygen absorption and dissociation. Here, we design reactive bridging O2– species within the atomic Cu–O–Fe site to accelerate such oxidation chemistry. Using in situ X-ray absorption spectroscopy at the O K-edge and density functional theory calculations, it is found that such bridging O2– has a lower antibonding orbital energy and thus weaker Cu–O/Fe–O strength. In selective NH3 oxidation, the weak Cu–O/Fe–O bond enables fast Cu redox for NH3 conversion and direct NO adsorption via Cu–O–NO to promote N–N coupling toward N2. As a result, 99% N2 selectivity at 100% conversion is achieved at 573 K, exceeding most of the reported results. This result suggests the importance to design, determine, and utilize the unique features of bridging O2– in catalysis." @default.
• W4310209077 created "2022-11-30" @default.
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• W4310209077 date "2022-11-29" @default.
• W4310209077 modified "2023-10-14" @default.
• W4310209077 title "Designing Reactive Bridging O^2– at the Atomic Cu–O–Fe Site for Selective NH₃ Oxidation" @default.
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• W4310209077 doi "https://doi.org/10.1021/acscatal.2c04863" @default.
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