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D-Orbital Occupancy Of Transition Metal Oxides By X-Ray Absorption Near Edge Structure (Xanes), Eric Kurywczak
D-Orbital Occupancy Of Transition Metal Oxides By X-Ray Absorption Near Edge Structure (Xanes), Eric Kurywczak
Seton Hall University Dissertations and Theses (ETDs)
XANES L2 and L3-edge X-Ray Absorption Near Edge Spectra (XANES) for 4d and 5d row transition metals (TM) oxides are assumed to be directly reflecting unoccupied d orbitals influenced by the local symmetry of the metal ion. XANES L2- and L3-edge data analysis through non-linear curve fitting allows for a unique, efficient look at the structural eccentricities of transition metal oxides. In this way it is possible to determine the oxidation state of a material as well as its site symmetry. We have used non-linear least-squares fitting across the near-edge region …