Fig. 4: In-situ ATR-FTIR measurements of 2e–-WOR and mechanism analysis. | Nature Communications

Fig. 4: In-situ ATR-FTIR measurements of 2e–-WOR and mechanism analysis.

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

Fig. 4: In-situ ATR-FTIR measurements of 2e–-WOR and mechanism analysis.The alternative text for this image may have been generated using AI.

a Schematic illustration of in-situ ATR-FTIR tests. In-situ ATR-FTIR spectra and the corresponding contour images for b, c CAU-17 and e, f UC-CAU-17. Potentials reported without iR correction. d Schematics of different reaction pathways for water oxidation on CAU-17 and UC-CAU-17. g Free energy diagrams of UC-CAU-17 for 4e–-OER and 2e–-WOR processes. h Charge density differences of CAU-17 and UC-CAU-17, yellow and blue contours represent the isosurfaces of electronic charge accumulation and depletion, respectively. The isosurface level of UC-CAU-17 and CAU-7 is 0.000934052 e/bohr3. DOS results of the Bi p orbital in i UC-CAU-17 and j CAU-17 with the OH p orbital. Source data are provided as a Source Data file.

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