Dynamical LEED analyses of the Pt(111)-p(2× 2)-NO and the Ni(111)-c(4 × 2)-2NO structures: substrate relaxation and unexpected hollow-site adsorption Academic Article uri icon


  • 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 Å 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.

author list (cited authors)

  • Materer, N., Barbieri, A., Gardin, D., Starke, U., Batteas, J. D., Van Hove, M. A., & Somorjai, G. A.

citation count

  • 96

publication date

  • February 1994