Ca substitution improves the catalytic activity of perovskite LaCoO3 toward toluene: comprehension of electronic structure alteration

For perovskite La1-xCaxCoO3 (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.

Automated summary

For perovskite La1-xCaxCoO3 (Ca-x, x = 0-0.3), Ca-0.2 with the closest O p band center to the Fermi level, exhibits the highest catalytic activity for toluene oxidation. The O p band center plays a crucial role in determining reducibility and active oxygen content. This discovery is beneficial for designing highly active perovskite catalysts.