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Article . 2009
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Article . 2009
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The co-adsorption of benzene and Co on Co(0001)

descriptionPublicationkeyboard_double_arrow_right Article 01 Oct 2009 Argentina English Publisher:World Scientific Pub Co Pte Ltd
Authors: Gonzalez, Estela Andrea; Jasen, Paula Verónica; Brizuela, Graciela Petra; Juan, Alfredo;

handle: 11336/69673

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

Abstract

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.

Fil: Brizuela, Graciela Petra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina

Fil: Gonzalez, Estela Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina

Fil: Jasen, Paula Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina

Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina

Country
Argentina
Related Organizations
Keywords

Co-Adsorption, Electronic Structure, https://purl.org/becyt/ford/1.3, Benzene, https://purl.org/becyt/ford/1, Dft

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
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