Fig. 5: Theoretical investigations regarding the electronic structures and reaction mechanism for CO2RR.
From: Small PdCx interstitial compound for efficient acidic CO2 electroreduction to formic acid
In situ FTIR spectra of a PdC0.13/CNT and b Pd/CNT at different potentials. Free energy profile of CO2 electroreduction to c CO and d HCOOH for the Pd (111) and PdC0.13 (111) at −0.9 V vs. RHE. e Dissociation energy of C-O and Pd-O bond on PdC0.13 (111). f The free energy profiles of Heyrovsky step in HER on Pd and PdC0.13.
