Understanding the role of Cu+/Cu0sites at Cu2O based catalysts in ethanol production from CO2electroreduction -A DFT study

Cu + site facilitates the adsorption and stabilization of *CO. The preferable formation of *CHO on Cu + makes C–C coupling reaction happen with *CO on the adjacent Cu 0 under a lower energy barrier. The Cu + /Cu 0 sites favor the pathway toward ethanol.