Molecular Inhibition for Selective CO ₂ Conversion

Electrochemical CO2 reduction presents a sustainable route to the production of chemicals and fuels. Achieving narrow product distribution with heterogeneous Cu catalysts is challenging conventional material modifications offer limited control over selectivity. Here, we show that surface-immobilised molecular species can act as inhibitors for specific carbon products provide rational distributions. Combined experimental computational results showed anchoring thiol-functionalised pyridine on destabilises surface-bound reaction intermediate energetically block CO-producing pathway, thereby favouring formate production. The nitrogen atom was shown be essential inhibition mechanism. ability molecules selectivity through pathways offers unique approach rationally modify catalysts.