Exploration of Hierarchically Porous Perovskite Ba_0.5Sr_0.5FeO₃ Catalyst Through Experimental and Computational Investigations for Sustainable Synthesis of Acrolein

Ba_0.5Sr_0.5FeO₃, SrMn_0.5Fe_0.5O_3, and BaMn_0.5Fe₀.₅O₃ perovskite catalysts were synthesized via the hydrothermal method. The developing perovskite catalysts with dual bed, redox and acid/base sites, for direct oxidation reactions is one of the recent/important research ideas. Therefore, this study deals with the impact of substituting A and/ or B sites on the catalytic oxidative reactivity of mixed oxides perovskite catalysts. Then, their reactivity was tested in a single reactor oxidative coupling of methanol/ethanol mixture for sustainable acrolein production. The Ba_0.5Sr_0.5FeO₃ perovskite sample has the highest catalytic performance at low temperatures (300^○C) with 78% acrolein selectivity, followed by SrMn_0.5Fe_0.5O₃ (65%), then BaMn_0.5Fe_0.5O₃ (58%). The enhanced catalytic reactivity of Ba_0.5Sr_0.5FeO₃ is associated with its effective acidic property and the ability to form O-vacancies easily, so, the strong proclivity for C–C coupling formation.