Fig. 4: Structure-activity relationship determined by operando ATR-SEIRAS and DFT calculations. | Nature Communications

Fig. 4: Structure-activity relationship determined by operando ATR-SEIRAS and DFT calculations.

From: Bipolar ethylene electrosynthesis from CO2 and biowaste acid with total faradaic efficiency over 118%

Fig. 4

Operando ATR-SEIRA spectra of np-Pt in the electrolyte a with and b without 2.0 M PA during positive potential scanning. c Differential charge density distribution of PtO2@Pt(111). Yellow and cyan contours represent charge accumulation and depletion, respectively. d The projected DOS of Pt(111) and PtO2@Pt(111). e Configurations of various reactive species over PtO2@Pt(111) following the non-Kolbe pathway toward C2H4. f Gibbs free energy diagrams of PA decarboxylation to various products over PtO2@Pt(111). g Gibbs free energy diagrams of PA decarboxylation to C2H4 via the non-Kolbe pathway over Pt(111) and PtO2@Pt(111). Source data are provided as a Source data file.

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