Oxygen is an important reagent in many applications which include chemical looping combustion, syngas preparation, and nonaerobic oxidation. The perovskite family of oxides, offer a unique combination of properties that make them ideal for oxygen delivery such as compositional flexibility and tunable reducibility. Perovskites of the general formula ABO<sub>3</sub> are capable of being synthesized with nonstoichiometric quantities of oxygen when a transition metal with multiple oxidation states is used as the element on the B-site. We have used a combination of experimental and computational methods to investigate chemical substitution on the B-site in perovskite systems in an attempt to optimize oxygen delivery and reactivity. These compounds were prepared using a high-temperature solid state method and the resulting products were characterized using X-ray diffraction, X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, thermogravimetric analysis, and temperature programmed desorption experiments. Computational methods including density functional theory and numerical modelling have been used to investigate the energetics associated with chemical substitutional and oxygen desorption. These results of these investigations demonstrate tunable oxygen delivery that is intimately linked to both structure and composition.

Developing perovskite materials for oxidation reactions

254th National Meeting (2017)

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