Published Online: Nov 30, 2018
Page range: 36 - 42
DOI: https://doi.org/10.2478/lpts-2018-0034
Keywords
© 2018 G.A. Kaptagay et al., published by Sciendo
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.
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.