Oxygen Evolution Reaction on a N-Doped Co_0.5-Terminated Co₃o₄ (001) Surface

Recent experimental findings suggest that the catalytic activity of Co₃O₄ for oxygen evolution reaction (OER) could be improved by nitrogen doping. We present preliminary OER modelling on a N-doped Co₃O₄ surface, with varying concentration of the dopant and its spatial distribution around Co_oct and Co_tet adsorption sites. The overpotential was calculated for two adsorption sites on seven types of N-doped Co₃O₄ surface. The largest calculated overpotential value for a N-doped surface was ~1V.