Test of a mechanism for O 2 electroreduction on Pt (111) via dynamic Monte Carlo simulations Conference Paper uri icon


  • Dynamic Monte Carlo simulations are used to study a possible mechanism of oxygen electroreduction on Pt (111) in acid medium. A proposed four-electron process is analyzed using simulated voltammetric scans at 300 K. The process includes oxygen adsorption as O 2- (and its desorption), dissociation of the O 2- adsorbed species, diffusion of adsorbed atomic oxygen, as well as formation of adsorbed OH and water, and water desorption. The calculated cathodic current is compared to experimental results in the kinetic-limited region (potential > 0.7 V, vs. SHE). The analysis yields time evolution of the various adsorbed species as functions of potential.

published proceedings

  • Proceedings - Electrochemical Society

author list (cited authors)

  • Calvo, S., Mainardi, D. S., Jansen, A., Lukkien, J. J., & Balbuena, P. B.

complete list of authors

  • Calvo, S||Mainardi, DS||Jansen, APJ||Lukkien, JJ||Balbuena, PB

publication date

  • December 2005