Promoting effect of tungsten carbide on the catalytic activity of Cu for CO2reduction

The adsorption of H, CO2, HCOO, O and CO on copper monolayers and submonolayers supported on hexagonal WC(0001) surfaces has been investigated. Calculations have been performed using density functional theory with the Perdew-Burke-Ernzerhof exchange correlation functional and D2 van der Waals correc...

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Autores:

Tipo de recurso:

Fecha de publicación:

2020

Institución:

Universidad de Medellín

Repositorio:

Repositorio UDEM

Idioma:

eng

OAI Identifier:

oai:repository.udem.edu.co:11407/5996

Acceso en línea:

http://hdl.handle.net/11407/5996

Palabra clave:

Adsorption
Binding energy
Carbon
Carbon dioxide
Catalyst activity
Catalyst deactivation
Catalyst poisoning
Copper
Density functional theory
Dissociation
Monolayers
Tungsten carbide
Van der Waals forces
Catalytic properties
Dissociation barrier
Dissociation products
Perdew-Burke-Ernzerhof exchange-correlation functional
Promoting effect
Reaction paths
Surface poisoning
Van der Waals correction
Copper compounds

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License

http://purl.org/coar/access_right/c_16ec