Artículo

The co-adsorption of benzene and Co on Co(0001)

Gonzalez, Estela AndreaIcon ; Jasen, Paula VerónicaIcon ; Brizuela, Graciela PetraIcon ; Juan, AlfredoIcon
Fecha de publicación: 10/2009
Editorial: World Scientific
Revista: Surface Review And Letters
ISSN: 0218-625X
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

The co-adsorption of carbon monoxide and benzene on Co(0001) has been studied using density functional calculations. We used the ordered (7 × 7) R19° surface unit cell. A comparison of the co-adsorption with CO and benzene two-dimensional networks is also given. The electronic structure reveals that the CO orbitals interact with benzene and Co layer. Regarding the bonding, the CoCo overlap population decrease 18% after benzene adsorption and increase a little after CO adsorption with a net 14.6% decrease in the co-adsorption system. The CObenzene interaction is shown by the changes in the CO (CO) and CH (benzene) bonds.
Palabras clave: Benzene , Co-Adsorption , Dft , Electronic Structure
 
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
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URI: http://hdl.handle.net/11336/69673
URL: https://www.worldscientific.com/doi/pdf/10.1142/S0218625X09013104
DOI: http://dx.doi.org/10.1142/S0218625X09013104
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Citación
Gonzalez, Estela Andrea; Jasen, Paula Verónica; Brizuela, Graciela Petra; Juan, Alfredo; The co-adsorption of benzene and Co on Co(0001); World Scientific; Surface Review And Letters; 16; 5; 10-2009; 749-755
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