A microkinetic model of the oxygen reduction reaction (ORR) on Pt(111) under a gaseous H 2 and O 2 atmosphere is used to predict and explain which compositions of H 2 and O 2 lead to the fastest rate of water formation for temperatures between 600 and 900 K. For a stoichiometric (2:1) mixture of H 2 and O 2 the rate-determing step is found to transition from O ¿ hydrogenation to O 2 ¿ dissociation over this same temperature range. These results are explained in terms of the temperature dependence of the surface coverages of O ¿ and H ¿ and are shown to be consistent with kinetic models aimed at understanding the ORR under electrochemical conditions.
Fantauzzie, D., Zhu, T., Müller, J. E., Filot, I. A. W., Hensen, E. J. M., & Jacob, T. (2015). Microkinetic modeling of the oxygen reduction reaction at the Pt(111)/gas interface. Catalysis Letters, 145(1), 451-457. https://doi.org/10.1007/s10562-014-1448-5