GONZÁLEZ, ESTELA A.; JASEN, PAULA V.; PIERINI, JORGE; … - In: Surface Review and Letters (SRL) 16 (2009) 05, pp. 749-755
The co-adsorption of carbon monoxide and benzene on Co(0001) has been studied using density functional calculations. We … 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 …