Adsorbate reorganization at steps: NO on Pd(211)
Adsorbate reorganization at steps: NO on Pd(211)¶
by B. Hammer and J. K. Nørskov.
Phys. Rev. Lett, 79, 4441 (1997).
The interaction of nitric oxide, NO, with the stepped Pd(211) surface is studied using density functional theory slab calculations. Calculated chemisorption energies and geometries reveal that surface sites are not populated in a sequential manner as the NO coverage is increased. This comes about through the mutual NO interactions that make the adsorbates reorganize during the adsorption. The finding of non-sequential site population allows a reinterpretation of existing experimental data.