Dynamic Monte Carlo studies of oxygen electroreduction

1
Dynamic Monte Carlo studiesof oxygen
electroreduction

• Daniela S. Mainardi and Perla B. Balbuena

2
Temperature programmed O2 adsorption,
dissociation, desorption, and O diffusion are
investigated on a Pt(111) surface. Heating rate
is 2 K/sec, and total pressure 1Pa.
3
Proposed mechanism for Oxygen electroreduction on
Pt(111)
Surface compositions of OH, O, O2, and H2O as
functions of the cathode overpotential,
calculated with Dynamic Monte Carlo simulations.
(Mainardi, Balbuena, Jansen, Lukkien, JCP,
submitted).