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

Gulbanu A. Kaptagay; Nazira A. Sandibaeva; Talgat M. Inerbaev; Yuri A. Mastrikov; Eugene A. Kotomin

doi:10.2478/prolas-2020-0058

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

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

Volume 74 (2020): Issue 6 (December 2020)

By: Gulbanu A. Kaptagay, Nazira A. Sandibaeva, Talgat M. Inerbaev, Yuri A. Mastrikov and Eugene A. Kotomin

Open Access

|Jan 2021

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 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.

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Articles in this issue

DOI: https://doi.org/10.2478/prolas-2020-0058 | Journal eISSN: 2255-890X | Journal ISSN: 1407-009X

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Language: English

Page range: 396 - 403

Submitted on: Oct 26, 2020

Accepted on: Nov 16, 2020

Published on: Jan 5, 2021

Published by: Latvian Academy of Sciences

In partnership with: Paradigm Publishing Services

Publication frequency: 6 issues per year

Keywords:

Cobalt oxide,

OER,

electrocatalyst,

first principles calculations

Related subjects:

General interest,

Mathematics,

General mathematics

© 2021 Gulbanu A. Kaptagay, Nazira A. Sandibaeva, Talgat M. Inerbaev, Yuri A. Mastrikov, Eugene A. Kotomin, published by Latvian Academy of Sciences
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Volume 74 (2020): Issue 6 (December 2020)