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(a) The diffuse reflectance spectrum of monoclinic . A linear extrapolation to the baseline was used to determine the onset of the conduction band (i.e., ). (b) The -edge XES (solid line) and core-hole corrected TEY-mode -edge XAS (dashed line) spectra of . The derivatives (solid and dashed lines) are plotted underneath, along with the energetic separation between their edges (i.e., ).
(a) The - and -edge PFY-mode XAS. The excitation energies for the emission processes are identified by blue asterisks. (b) The experimental XPS, and core-level shifted XES are plotted with the calculated pDOS underneath (cross-sectioned weighted). Also shown alongside the experimental data are the corresponding Gaussian broadened (full width half ) DOS (dashed lines).
The above threshold -edge XES (blue filled circles) as a function of photon energy. The at , also excited by the excitation of the -edge, is identified. The region has been curve-fitted using four Voigt functions to mimic the four peaks in the calculated pDOS. The inset displays the magnified region to show the bonding state at .
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