DYNAMICAL LEED ANALYSES OF THE PT(111)-P(2X2)-NO AND THE NI(111)-C(4X2)-2NO STRUCTURES - SUBSTRATE RELAXATION AND UNEXPECTED HOLLOW-SITE ADSORPTION
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abstract
Dynamical LEED analyses of ordered structures of NO molecules chemisorbed on Pt(111) and on Ni(111) conclusively yield threefold-coordinated hollow-site adsorption and reasonable bond lengths. Both metal surfaces exhibit molecular induced substrate relaxations; those in Ni(111) are greater than those in Pt(111). The Pt(111)-p(2 2)-NO structure has NO adsorbed in a threefold fee site with a small buckling of the first metal layer. NO of the Ni(111)-c(4 2)-2NO structure is adsorbed in threefold fee and hep sites with a 0.16 buckling of the first metal layer. The hollow-site adsorption on both metal surfaces invalidates long-standing bridge and top-site assignments based on vibrational spectroscopy measurements, calling that approach into question. The threefold hollow-site adsorption determined for these systems also contrasts with the lower coordinated bridge and top sites generally found for CO molecules on the same metal surfaces. 1994.