Perovskite oxides of the formula ABO<sub>3</sub> are catalysts investigated for conversion of organic oxygenates. These catalysts are of interest due to their ability to be 'tuned' by cation substitution, and also due their reducibility that enables oxygen vacancies to form at the surface. These oxygen vacancies can participate in catalytic cycles. In this presentation the results of recent work will be presented for catalytic conversion of ethanol. In the first subtopic, it was found that adjacent oxygen vacancies lead to acetaldehyde production while non-adjacent vacancies lead to ethene production[1]. In the second subtopic, ethanol conversion to C3 and C4 products that require CC coupling (acetone and crotonaldehyde) is explored, and evidence is presented that oxygen vacancies and aldol coupling play a role. Single crystal and powder studies have been conducted. In both subtopics, new transition states have been located, using density functional theory calculations, that are consistent with the experiments.

Conversion of ethanol over LaSrMnO<sub>3</sub> catalysts:Mechanistic insights from single crystals to powders on the roles of oxygen vacancies

ACS Spring 2022

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Conversion of ethanol over LaSrMnO3 catalysts:Mechanistic insights from single crystals to powders on the roles of oxygen vacancies

Conversion of ethanol over LaSrMnO₃ catalysts:Mechanistic insights from single crystals to powders on the roles of oxygen vacancies