Comparative first principles-based molecular dynamics study of catalytic mechanism and reaction energetics of water oxidation reaction on 2D-surface

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 42(2021), 16 vom: 15. Juni, Seite 1138-1149
Auteur principal: Priyadarsini, Adyasa (Auteur)
Autres auteurs: Mallik, Bhabani S
Format: Article en ligne
Langue:English
Publié: 2021
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article 2D-surface catalysis first principles molecular dynamics simulations oxygen evolution reaction water oxidation reaction