Cover Feature: Revealing the Mechanistic Features of an Electrosynthetic Catalytic Reaction and the Role of Redox Mediators through DFT Calculations and Microkinetic Modeling (ChemPhysChem 15/2024)

The Cover Feature illustrates an electrocatalytic reaction, showing the two electrodes and the reactions taking place at each of them. At the anode (left), iodide is oxidized to a diiodine radical, the active mediator responsible for oxidizing the copper catalyst. Then, the catalyst releases pivalic acid, which is reduced to molecular hydrogen and pivalate at the cathode (right). The detailed mechanism of this process has been characterized by computational chemistry. More information can be found in the Research Article by F. Maseras and co-workers (DOI: 10.1002/cphc.202400402).