Mechanisms of Carbon-Carbon Coupling in CO2 Electroreduction on Cu(211)

C-C coupled species produced in CO2 electroreduction on Cu have high utility as potential chemical feedstocks. Using DFT, we present energetics of possible intermediary processes to C2H4 formation on Cu.  We identify trends of decreasing kinetic barriers as intermediates become hydrogenated, providing a basis for catalytic design of new materials.