Figure 4
Top: comparison of the experimental Ni K-edge XANES spectrum for 1 Eq-ML (dots) of NiO on Al2O3 with the theoretical spectra calculated for a 19-atom cluster where Ni atoms have been substituted by Al atoms as labelled in the figure. Bottom: comparison of the experimental Ni K-edge XANES spectrum for 1 Eq-ML (dots) of NiO on Al2O3 with the theoretical spectra calculated for a 19-atom cluster with four Al atoms where the O—Al distances have been varied as labelled in the figure. |