Abstract
X-ray absorption near-edge structure (XANES) signals at the oxygen K edge in polycrystallineα-MoO3 andamorphous a-MoO3 thin film were analysed within the full-multiple-scattering (FMS) formalism. Significantly differentXANES signals were found for non-equivalent oxygen atoms in low-symmetry layered-typeα-MoO3 structure. The obtained results are in agreement with theexperimental data and allow us to interpret all XANES peaks forα-MoO3. Besides, the FMS XANES simulations, performed for several fragments ofα-MoO3 structure, allowed us to explain the O K-edge XANES in amorphousa-MoO3 thin film. We found that although the crystallographic structures ofα-MoO3 and a-MoO3 are strongly different, a cluster consisting of sixMoO6 octahedra joined by vertices produces the main contribution to both XANES signals.
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