<abstract xmlns="http://www.w3.org/1999/xhtml">N-doped Co3O4 is a promising electrocatalyst. By means of first-principles calculations, various concentrations and spatial arrangements of NO atoms were modelled. Mutual interaction of the dopant atoms was analysed with respect to single NO atom. Charge redistribution, caused by doping, was calculated.</abstract>

N-doped Co3O4 is a promising electrocatalyst. By means of first-principles calculations, various concentrations and spatial arrangements of NO atoms were modelled. Mutual interaction of the dopant atoms was analysed with respect to single NO atom. Charge redistribution, caused by doping, was calculated.

First-Principles Modelling of N-Doped Co3O4

Kazakh State Women’s Teacher Training University

Latvian Journal of Physics and Technical Sciences

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

First-Principles Modelling of N-Doped CoO

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N-doped Co3O4 is a promising electrocatalyst. By means of first-principles calculations, various concentrations and spatial arrangements of NO atoms were...

First-Principles Modelling of N-Doped Co₃O₄

Publié en ligne: 30 nov. 2018

Pages: 36 - 42

DOI: https://doi.org/10.2478/lpts-2018-0034

Mots clés
CoO, OER, electrocatalyst

© 2018 G.A. Kaptagay et al., published by Sciendo

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

First-Principles Modelling of N-Doped Co3O4

Publié en ligne: 30 nov. 2018

Pages: 36 - 42

DOI: https://doi.org/10.2478/lpts-2018-0034

Mots clésCoO, OER, electrocatalyst

© 2018 G.A. Kaptagay et al., published by Sciendo

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

First-Principles Modelling of N-Doped Co₃O₄

Mots clés
CoO, OER, electrocatalyst