Interpretation of the NEXAFS Spectra of Adsorbates Using Multiple Scattering Calculations
Near edge x-ray absorption fine structure (NEXAFS) spectroscopy is proving to be a powerful tool for investigating the geometric and electronic structure of chemisorbed molecules [5.1]. The polarization dependence of NEXAFS resonances gives information on the orientation of the adsorbed molecules with respect to the surface, and the position of certain resonances can be used to measure intramolecular bond lengths [5.2]. However, except for diatomic or pseudodiatomic adsor-bates, the near edge region presents a complex structure that is difficult to interpret in many cases. For a full interpretation it is often necessary to compare the experimental NEXAFS spectrum with a calculated spectrum for some model of the adsorbed species.
KeywordsShape Resonance Core Hole Edge Spectrum Multiple Scattering Method Multiple Scatter Theory
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