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Recent experimental findings suggest that the catalytic activity of Co 3 O 4  for oxygen evolution reaction (OER) could be improved by nitrogen doping. We present preliminary OER modelling on a N-doped Co 3 O 4  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 Co 3 O 4  surface. The largest calculated overpotential value for a N-doped surface was ~1V.

proceedings of the latvian academy of sciences. section b, natural sciences/latvijas zinātņu akadēmijas vēstis. a daļa, humanitārās un sociālās zinātnes

Oxygen Evolution Reaction on a N-Doped Co0.5-Terminated Co3o4 (001) Surface

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