Lifting the discrepancy between experimental results and the theoretical predictions for the catalytic activity of RuO2(110) towards oxygen evolution reaction

Abstract

Developing new efficient catalyst materials for the oxygen evolution reaction (OER) is essential for widespread proton exchange membrane water electrolyzer use. Both RuO₂(110) and IrO₂(110) have been shown to be highly active OER catalysts, however DFT predictions have been unable to explain the high activity of RuO₂. We propose that this discrepancy is due to RuO₂ utilizing a different reaction pathway, as compared to the conventional IrO₂ pathway. This hypothesis is supported by comparisons between experimental data, DFT data and the proposed reaction model.