Ca substitution improves the catalytic activity of perovskite LaCoO 3 toward toluene: comprehension of electronic structure alteration.

For perovskite La 1- x Ca x CoO 3 (Ca- x , x = 0-0.3), Ca-0.2 with the closest O p band center to the Fermi level, displays the best catalytic activity for toluene oxidation. The O p band center determines the reducibility and active oxygen content. This finding is beneficial for the design of highly active perovskite catalysts.