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La 1−x Ca x CoO 3 (x=0, 0.2, 0.4, 0.5) perovskite-type oxides were prepared by the citrate method and characterised by different techniques. Thermogravimetry, X-ray diffraction (XRD), and specific surface area results were used to choose the best synthesis conditions. From the XRD results, the crystalline structure was refined with the Rietveld method. Substitution of Ca for...
The role of vanadyl and peroxovanadate oxygen species in the oxidative dehydrogenation of propane (ODP) was analyzed by density functional theory (DFT). The dehydrogenation of C 3 H 8 to C 3 H 6 and the oxidation of C 3 H 6 occurred over vanadyl oxygen of VO x species, yielding reduced VO x species. The vanadyl oxygen species were restored...
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