Fluorine-Doped IrO2: A Potential Electrocatalyst for Water Electrolysis

Using an ab initio approach, fluorine-doped IrO 2 IrO 2:F has been studied for the first time for its electrocatalytic activity and ability to serve as an electrocatalyst in PEM-based electrolyzers. Detailed study conducted of all the intermediate steps during the electrolytic water splitting demonstrates an improved catalytic activity of IrO 2 doped with fluorine in comparison with pure undoped iridium oxide which has been confirmed by the appropriate experimental study exhibiting 20% increase in the catalytic activity of IrO 2:F vs pure IrO 2 . The study allows one to conclude that fluorine-doped iridium oxide could be a promising oxygen evolution electrocatalyst for PEM-based water electrolysis.