title: Driving forces for self-organized coadsorption: C6H6/2O and C6H6/2CO on Ni[111].
abstract: The self-organized (2log3 x 2log3) coadsorbed phases of C(6)H(6) with O and with CO are investigated within first-principles density functional theory. The main driving force for formation of the C(6)H(6)/2O phase is found to be the reduction of O adatom repulsive interactions, while for the C(6)H(6)/2CO phase it is the interspecies attractive interactions and benzene-benzene repulsive interactions which are most important.
authors.affiliation: Contribution from the National Metrology Institute of Japan.
authors.forename: S
authors.initials: S
authors.lastname: Yamagishi
authors.forename: S J
authors.initials: SJ
authors.lastname: Jenkins
authors.forename: D A
authors.initials: DA
authors.lastname: King