First-Principles Modelling of N-Doped Co3O4

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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.

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Latvian Journal of Physics and Technical Sciences

The Journal of Institute of Physical Energetics

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CiteScore 2018: 0.32

SCImago Journal Rank (SJR) 2018: 0.147
Source Normalized Impact per Paper (SNIP) 2018: 0.325

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