Electrocatalytic CO₂ Reduction

In recent years, the Goddard group has turned to electrocatalysts as ideal systems for catalyst design where one can combine anode and cathode electrodes, with electrolytes, and applied fields to provide the flexibility to control complex reactions. In addition to the oxygen reduction reaction (ORR) at the cathode of the hydrogen fuel cell discussed in Chap. 64 and the water-splitting reactions, HER and OER discussed in Chap. 65, the other the main applications relate to CO₂ reduction (CO₂R) to form fuels or hydrocarbon products. These studies validate the level of DFT theory and the level of explicit solvent that can be used for the design of improved electrocatalysts.