Figure 5
Comparison of the experimental Ni K-edge XANES spectra for 1 Eq-ML of NiO on SiO2 and MgO and the theoretical spectra calculated for both a NiO cluster (solid line) and for a second cluster in which four Mg atoms replace Ni in the second coordination shell. In the latter case the Ni(M)—O interatomic distances of the first shell (dots) and both first and second shells (dashes) have been increased (see text for details). |