Browsing Zinātniskie raksti (CFI) / Scientific articles by Subject "electrocatalyst"
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First-Principles Modelling of N-Doped Co3O4
(Sciendo, 2018)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 ... -
Oxygen evolution reaction on a N-doped Co0.5-terminated Co3O4 (001) surface
(De Gruyter, Latvian Academy of Sciences, 2020)Recent experimental findings suggest that the catalytic activity of Co3O4 for oxygen evolution reaction (OER) could be improved by nitrogen doping. We present preliminary OER modelling on a N-doped Co3O4 surface, with ...