Surface Core Level Shift: High Sensitive Probe to Oxygen-Induced Reconstruction of Rh(100)
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- 作者：Laura Bianchettin ; Alessandro Baraldi ; Stefano de Gironcoli ; Erik Vesselli ; Silvano Lizzit ; Giovanni Comelli ; Renzo Rosei
- 刊名：Journal of Physical Chemistry C
- 出版年：2009
- 出版时间：July 30, 2009
- 年：2009
- 卷：113
- 期：30
- 页码：13192-13198
- 全文大小：352K
- 年卷期：v.113,no.30(July 30, 2009)
- ISSN：1932-7455
文摘
Oxygen-induced Rh3d5/2 surface core level shifts were used to probe the local electronic structure of first layer Rh atoms in the (2 × 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.