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.
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
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© 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.