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

dc.creatorGonzalez, Estela Andrea
dc.creatorJasen, Paula Verónica
dc.creatorBrizuela, Graciela Petra
dc.creatorJuan, Alfredo
dc.date.accessioned2019-02-07T18:15:28Z
dc.date.accessioned2022-10-15T09:56:24Z
dc.date.available2019-02-07T18:15:28Z
dc.date.available2022-10-15T09:56:24Z
dc.date.created2019-02-07T18:15:28Z
dc.date.issued2009-10
dc.identifierGonzalez, 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
dc.identifier0218-625X
dc.identifierhttp://hdl.handle.net/11336/69673
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/4372916
dc.description.abstractThe 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.
dc.languageeng
dc.publisherWorld Scientific
dc.relationinfo:eu-repo/semantics/altIdentifier/url/https://www.worldscientific.com/doi/pdf/10.1142/S0218625X09013104
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1142/S0218625X09013104
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectBENZENE
dc.subjectCO-ADSORPTION
dc.subjectDFT
dc.subjectELECTRONIC STRUCTURE
dc.titleThe co-adsorption of benzene and Co on Co(0001)
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:ar-repo/semantics/artículo
dc.typeinfo:eu-repo/semantics/publishedVersion


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