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Abstract
This work is devoted to evaluating the relationship between oxygen content and catalytic activity on the CO oxidation process of the 6H-type BaFeO3-δ system, showing that a higher Fe oxidation state improved the catalytic performance of the oxides, confirming the involvement of the lattice oxygen in the catalytic process. The redox behavior of the catalyst, followed mainly by neutron thermodiffraction under different atmospheres, allows us to determine the structure of the anionic and cationic sublattices showing a structural transition from the hexagonal symmetry (P63/mmc) of the ideal 6H type to orthorhombic (Cmcm) caused for the octahedra distortion when the Fe3+ concentration increases up to 40% (δ values higher than 0.2) The redox process is topotactic and the 6H basic structure is maintained in the δ range (0<δ<0.4).
Supplementary materials
Title
Supplementary Information
Description
Supplementary Information. Chemical composition and cell parameters of 6H-BaFeO2.96, 6H-BaFeO2.90 and 6H-BaFeO2.78. XPS data of 6H-BaFeO2.96, 6H-BaFeO2.90 and 6H-BaFeO2.78. EELS data of 6H-BaFeO2.96 and 6H-BaFeO2.78. Neutron diffraction insets and Rietveld refinement and structural parameters of the reduction and oxidation steps. Rietveld refinement data for the revisited BaFeO2.78 neutron data under the new orthorhombic symmetry. SAED and HRTEM data during the reduction process of 6H-BaFeO2.96 and simulated SAED for the tentative structural model. SEM images of 6H-BaFeO2.96, 6H-BaFeO2.90 and 6H-BaFeO2.78. Physisorption isotherms and BET values for 6H-BaFeO2.90 and 6H-BaFeO2.78. Catalytic activity of 6H-BaFeO2.96.
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