Fig. 4: Proposed reaction pathways for electrocatalytic reduction of vinyl alcohol on Cu.
From: Unraveling the electrocatalytic reduction mechanism of enols on copper in aqueous media
a–c Free energies of the initial (IS), transition (TS), and final states (FS) for the C-O bond-breaking processes of adsorbed vinyl alcohol on Cu(100), Cu(211), Pt(100), respectively. Eact values correspond to the calculated NEB barriers with ZPE correction. d Proposed reaction pathway for vinyl alcohol reduction to ethylene, ethane, and ethanol on Cu(100) and Cu(211). All ΔG values are given at 0 V vs. RHE based on CHE model. Solid arrows indicate proposed pathway and dashed arrow denotes unlikely pathway. Color code: hydrogen in white, oxygen in red, carbon in brown, copper in orange, platinum in gray.
