First-Principles Modelling of N-Doped Co3O4

G.A. Kaptagay; Yu.A. Mastrikov; E.A. Kotomin

doi:10.2478/lpts-2018-0034

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First-Principles Modelling of N-Doped Co3O4

Latvian Journal of Physics and Technical Sciences

Volume 55 (2018): Issue 5 (October 2018)

By: G.A. Kaptagay, Yu.A. Mastrikov and E.A. Kotomin

Open Access

|Nov 2018

Abstract

N-doped Co₃O₄ is a promising electrocatalyst. By means of first-principles calculations, various concentrations and spatial arrangements of N_O atoms were modelled. Mutual interaction of the dopant atoms was analysed with respect to single N_O atom. Charge redistribution, caused by doping, was calculated.

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Articles in this issue

DOI: https://doi.org/10.2478/lpts-2018-0034 | Journal eISSN: 2255-8896 | Journal ISSN: 0868-8257

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Language: English

Page range: 36 - 42

Published on: Nov 30, 2018

Published by: Institute of Physical Energetics

In partnership with: Paradigm Publishing Services

Publication frequency: 6 issues per year

Keywords:

CoO,

OER,

electrocatalyst

Related subjects:

Physics,

Technical and applied physics

© 2018 G.A. Kaptagay, Yu.A. Mastrikov, E.A. Kotomin, published by Institute of Physical Energetics
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Volume 55 (2018): Issue 5 (October 2018)