Revisiting surface core-level shifts for ionic compounds

Surface core-level shifts for simple metals.

Origin of metallic surface core-level shifts.

Surface Core - Level Shifts at an oxygen - rich Ru Surface :

We present density-functional theory calculations of Ru 3d and O 1s surface core-level shifts (SCLSs) at an oxygen-rich Ru(0001) surface, namely for the O(1× 1)/Ru(0001) chemisorption phase and for two surface terminations of fully oxidized RuO2(110). Including final-state effects, the computed SCLSs can be employed for the analysis of experimental X-ray photoelectron spectroscopy (XPS) data en...

Ab initio surface core-level shifts and surface segregation energies.

Surface core-level binding energy shifts for MgO(100).

Theoretical and experimental results for the surface core-level binding energy, BE, shifts, SCLS, for MgO(100) are presented and the anomalous O(1s) SCLS is interpreted in terms of the surface electronic structure. While the Mg(2p) surface BE shifts to a higher value than bulk by ≈1 eV as expected from the different surface and bulk Madelung potentials, the O(1s) SCLS is almost 0 rather than ≈-...