Fig. 5: In situ measurements and theoretical calculations. | Nature Communications

Fig. 5: In situ measurements and theoretical calculations.

From: Atomically precise Ni clusters inducing active NiN2 sites with uniform-large vacancies towards efficient CO2-to-CO conversion

Fig. 5: In situ measurements and theoretical calculations.The alternative text for this image may have been generated using AI.

a–c In situ ATR-FTIR over NiN2-Nin (n = 5, 6, 10) at different potentials in 0.5 M KHCO3. d Schematic illustrations of reaction intermediates on optimized NiN2 with large vacancy (NiN2-Nin). Ni, N, O, C, and H atoms are in green, blue, red, gray, pink, respectively. e Calculated free-energy diagram for CO2 reduction to CO in different models. f Comparison of GH*-GCO2* at different applied potentials (U) between NiN2-Nin and NiN2-SV. Note: The value of GH*-GCO2* could reveal the competitive relationship between HER and CO2 reduction, especially for the adsorption of H and CO2 at the first step. Source data for (a–c) and (e, f) are provided as a Source Data file.

Back to article page