Fig. 1: Theoretical predictions for selective 2e−-WOR using different coordination constructions. | Nature Communications

Fig. 1: Theoretical predictions for selective 2e−-WOR using different coordination constructions.

From: Coordinatively unsaturated bismuth sites accelerate in-situ hydrogen peroxide electrochemical formation for efficient butanone oxime synthesis

Fig. 1: Theoretical predictions for selective 2e−-WOR using different coordination constructions.The alternative text for this image may have been generated using AI.

a Selective 2e−-WOR pathway by adjusting suitable OH* adsorption on catalytically active sites. Constructed models of b CAU-17 and c UC-CAU-17 structures (purple: Bi atom; yellow: O atom; green: C atom; pink: H atom). d The free energy diagrams of CAU-17 and UC-CAU-17 for 2e–-WOR process. Source data are provided as a Source Data file.

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