Periodic DFT study of water adsorption on m-WO<inf>3</inf>(001), m-WO<inf>3</inf>(100), h-WO<inf>3</inf>(001) and h-WO<inf>3</inf>(100). Role of hydroxyl groups on the stability of polar hexagonal surfaces

Article

Abstract: Water adsorption on the (001) and (100) surfaces of monoclinic and hexagonal WO3 was studied using a

Palabras claves:

Adsorption, DFT, Hexagonal WO 3, Monoclinic WO 3, OH groups, WATER

Autores:

Alba Beatriz Vidal, Añez R., Hurtado-Aular O., Sierraalta A.

Fuentes:

scopus