INVESTIGADORES
BRIZUELA Graciela Petra
artículos
Título:
The co-adsorption of benzene and CO on Co(0001)
Autor/es:
ESTELA A. GONZÁLEZ; PAULA V. JASEN; JORGE PIERINI; GRACIELA BRIZUELA; ALFREDO JUAN
Revista:
SURFACE REVIEW AND LETTERS
Editorial:
WORLD SCIENTIFIC PUBL CO PTE LTD
Referencias:
Lugar: Singapore; Año: 2009 vol. 16 p. 749 - 755
ISSN:
0218-625X
Resumen:
The co-adsorption of carbon monoxide and benzene on Co(0001) has been studied using density functional calculations.We used the ordered ()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 Co-Co 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 CO-benzene interaction is shown by the changes in the C-O (CO) and C-H (benzene) bonds.