DFT computational study of the tetragonal (P4/nmm) WO 3 (001) Surface.

(Eng) Tetragonal WO 3 is important for catalytic reactions such as the hydration of ethylene, which is an alternative choice to ethanol production by fermentation. However, very little is known about the structural and electronic properties of the tetragonal WO 3 surfaces with possible catalytic act...

Full description

Autores:

Loaiza Orduz, Álvaro
Araujo López, Eduard
Urresta, Julián D.
Llano Restrepo, Mario Andrés

Tipo de recurso:

Article of journal

Fecha de publicación:

2018

Institución:

Universidad del Valle

Repositorio:

Repositorio Digital Univalle

Idioma:

eng

OAI Identifier:

oai:bibliotecadigital.univalle.edu.co:10893/18101

Acceso en línea:

https://hdl.handle.net/10893/18101

Palabra clave:

DFT
DOS
Superficie (001)
Optimización estructural
WO 3 tetragonal
DFT
DOS
Structural optimization
Tetragonal WO 3

Rights

closedAccess

License

http://purl.org/coar/access_right/c_14cb