Speaker: Mauricio Portiolli Franco
Title: From CO2 to acetate: Insights into electrochemical CO2 reduction with a manganese corrole catalyst
Abstract: Electrochemical CO2 reduction on a Mn–corrole catalyst was investigated using DFT to map the full reaction network, identifying key proton‑coupled electron transfer steps and the intermediates leading to CO, methanol, and acetate formation. The calculations reveal a potential‑dependent selectivity controlled by a C–C coupling pathway via a carbene intermediate, rationalizing the experimentally observed Faradaic efficiencies for acetate and other products.