<abstract xmlns="http://www.w3.org/1999/xhtml">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 Cooct and Cotet 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.</abstract>

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 Cooct and Cotet 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.

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

Kazakh National Women’s Teacher Training University

L. N. Gumilyov Eurasian National University

Proceedings of the Latvian Academy of Sciences. Section B. Natural, Exact, and Applied Sciences.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Oxygen Evolution Reaction on a N-Doped Co-Terminated Coo (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...

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

Publié en ligne: 05 janv. 2021

Pages: 396 - 403

Reçu: 26 oct. 2020

Accepté: 16 nov. 2020

DOI: https://doi.org/10.2478/prolas-2020-0058

Mots clés
Cobalt oxide, OER, electrocatalyst, first principles calculations

© 2020 Gulbanu A. Kaptagay et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

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

Publié en ligne: 05 janv. 2021

Pages: 396 - 403

Reçu: 26 oct. 2020

Accepté: 16 nov. 2020

DOI: https://doi.org/10.2478/prolas-2020-0058

Mots clésCobalt oxide, OER, electrocatalyst, first principles calculations

© 2020 Gulbanu A. Kaptagay et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

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

Mots clés
Cobalt oxide, OER, electrocatalyst, first principles calculations