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Stability and lifetime of diffusion-trapped oxygen in oxide-derived copper CO2 reduction electrocatalysts - Nature Catalysis

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Stability and lifetime of diffusion-trapped oxygen in oxide-derived copper CO2 reduction electrocatalysts - Nature Catalysis

Oxide-derived Cu has an excellent ability to promote C–C coupling in the electrochemical carbon dioxide reduction reaction. However, these materials largely rearrange under reaction conditions; therefore, the nature of the active site remains controversial. Here we study the reduction process of oxide-derived Cu via large-scale molecular dynamics with a precise neural network potential trained on first-principles data and introducing experimental conditions.

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Stability and lifetime of diffusion-trapped oxygen in oxide-derived copper CO2 reduction electrocatalysts - Nature Catalysis

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Stability and lifetime of diffusion-trapped oxygen in oxide-derived copper CO2 reduction electrocatalysts - Nature Catalysis

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