MLFT approach with p-d hybridization for ab initio simulations of the pre-edge XANES
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DOI: 10.1016/j.radphyschem.2018.12.025
Abstract: Abstract Ab initio simulations of the pre-edge XAS spectra and other related resonance spectroscopies require taking into account 3d-4p hybridization on the 3d metal site. While the hybridization Hamiltonian could be parameterized on the basis… read more here.
Keywords: initio simulations; simulations pre; hybridization; pre edge ... See more keywords
Rutile- and anatase-type temperature-dependent pre-edge peak intensities in K-edge XANES spectra for AO (A = Mn), A2O3 (A = Sc, Cr and Mn) and AO2 (A = Ti and V).
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DOI: 10.1107/s1600577518006902
Abstract: Pre-edge peaks in 3d transition-metal element (Sc, Ti, V, Cr and Mn) K-edge XANES (X-ray absorption near-edge structure) spectra in AO2 (A = Ti and V), A2O3 (A = Sc, Cr and Mn) and AO (A = Mn) are measured at… read more here.
Keywords: temperature; xanes spectra; edge; peak ... See more keywords
Quantitative microscale Fe redox imaging by multiple energy X-ray fluorescence mapping at the Fe K pre-edge peak
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DOI: 10.2138/am-2020-7359
Abstract: Abstract Fe oxidation/reduction reactions play a fundamental role in a wide variety of geological processes. In natural materials, Fe redox state commonly varies across small spatial scales at reaction interfaces, yet the approaches available for… read more here.
Keywords: state; redox imaging; redox; pre edge ... See more keywords