info:eu-repo/semantics/article
The co-adsorption of benzene and Co on Co(0001)
Fecha
2009-10Registro en:
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
0218-625X
CONICET Digital
CONICET
Autor
Gonzalez, Estela Andrea
Jasen, Paula Verónica
Brizuela, Graciela Petra
Juan, Alfredo
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.