Oxygen-induced Rh3d(5/2) surface core level shifts were used to probe the local electronic structure of first layer Rh atoms in the (2 x 2)pg reconstructed phase formed upon oxygen adsorption. By comparison of the computed shifts for differently reconstructed geometries with the experimental shifts obtained from high-energy resolution photoemission measurements, we confirm that the reconstructed phase is formed by Rh atoms single- and double-bonded to oxygen, yielding a shift from the bulk component of -185 and +140 meV, respectively. We find that the core level shifts are affected by the local rhomboidal distortion of the surface lattice, Moreover, we show that, on Rh(100), the oxygen-induced surface core level shifts are dominated by initial state effects and proportional to the calculated shift of the d-band center. The latter is therefore correlated to the local surface chemical reactivity, as already found for other adsorbate systems on transition metals.
|Titolo:||Surface core level shift: High sensitive probe to oxygen-induced reconstruction of Rh(100)|
|Autori:||Bianchettin, L.; Baraldi, A.; de Gironcoli, S.; Vesselli, E.; Lizzit, S.; Comelli, G.; Rosei, R.|
|Data di pubblicazione:||2009|
|Digital Object Identifier (DOI):||10.1021/jp901223d|
|Appare nelle tipologie:||1.1 Journal article|