190 citations · 383 across the 3 of their papers we have counts for
6 papers
Stability of sub-surface oxygen at Rh(111)
M. Veronica Ganduglia-Pirovano, Karsten Reuter, Matthias Scheffler
Using density-functional theory (DFT) we investigate the incorporation of oxygen directly below the Rh(111) surface. We show that oxygen incorporation will only commence after near…
Metastable precursors during the oxidation of the Ru(0001) surface
Karsten Reuter, M. Veronica Ganduglia-Pirovano, Catherine Stampfl +1
Using density-functional theory, we predict that the oxidation of the Ru(0001) surface proceeds via the accumulation of sub-surface oxygen in two-dimensional islands between the fi…
Surface Core Level Shifts of Clean and Oxygen Covered Ru(0001)
S. Lizzit, A. Baraldi, A. Groso +8
We have performed high resolution XPS experiments of the Ru(0001) surface, both clean and covered with well-defined amounts of oxygen up to 1 ML coverage. For the clean surface we…
Adlayer core-level shifts of random metal overlayers on transition-metal substrates
M. V. Ganduglia-Pirovano, J. Kudrnovsky, M. Scheffler
We calculate the difference of the ionization energies of a core-electron of a surface alloy, i.e., a B-atom in a A_(1-x) B_x overlayer on a fcc-B(001)-substrate, and a core-electr…
Potential, core-level and d band shifts at transition metal surfaces
M. V. Ganduglia-Pirovano, V. Natoli, M. H. Cohen +2
We have extended the validity of the correlation between the surface 3d-core-level shift (SCLS) and the surface d band shift (SDBS) to the entire 4d transition metal series and to…
Adlayer core-level shifts of admetal monolayers on transition metal substrates and their relation to the surface chemical reactivity
Dieter Hennig, Maria Veronica Ganduglia-Pirovano, Matthias Scheffler
Using density-functional-theory we study the electronic and structural properties of a monolayer of Cu on the fcc (100) and (111) surfaces of the late 4d transition metals, as well…