Driving forces for self-organized coadsorption: C6H6/2O and C6H6/2CO on Ni[111].
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.
Yamagishi
S
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Contribution from the National Metrology Institute of Japan.
Jenkins
S J
SJ
King
D A
DA