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ЭНЕРГОЭФФЕКТИВНОСТЬ ФТОР ДОПИРОВАННОЙ (100) ПОВЕРХНОСТИ Co 3 O 4 ДЛЯ РАСЩЕПЛЕНИЯ ВОДЫ
Автор(ы)
Дата публикации
22 марта 2021 г.
Тип
journal article
Выпуск
3
Первая страница
46
Последняя страница
53
Аннотация
We report the results of theoretical investigations of water adsorption on undoped and fluorine-doped Co 3 O 4 (100) surface by means of the plane-wave periodic density functional theory (DFT) calculations combined with the Hubbard-U approach and statistical thermodynamics. We discuss the effect of fluorine-doping of the Co 3 O 4 (100) surface and calculated oxygen evolution reaction overpotential based on the Gibbs free-energy diagram of undoped and F-doped surfaces.
Области науки (FoS)