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    Тип записи:Публикация,
    First-Principles Modelling of N-Doped Co 3 O 4
    (De Gruyter Open, 2018-10-01) ;
    Yuri A. Mastrikov
    ;
    Eugene A. Kotomin
    Abstract N-doped Co 3 O 4 is a promising electrocatalyst. By means of first-principles calculations, various concentrations and spatial arrangements of N O atoms were modelled. Mutual interaction of the dopant atoms was analysed with respect to single N O atom. Charge redistribution, caused by doping, was calculated.
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