Fig. 5: Reaction pathway of e-C2H2R to 1,3-BD.
From: Selective electroreduction of acetylene to 1,3-butadiene on iodide-induced Cuδ+–Cu0 sites
a, Schematic representation of the reaction pathway of acetylene reduction to 1,3-BD with water as the proton source. Carbon and hydrogen atoms appear in brown and grey, copper is shown in beige. b–j, The active sites considered in the computational models are a square-symmetry stripe on top of a Cu(100) terrace (b), stripe + *I (c), stripe + *O (d), stripe + *O + *I (e), stripe + *O + *Cl (f), stripe + *O + *HSO4 (g), Cu2O(111) (h), Cu2O(111) + *I (i) and Cu2O(111) + *Cl (j).
