Synergetic effect of calcium doping on catalytic activity of manganese ferrite: DFT study and oxidation of hydrocarbon

Abstract

Manganese ferrite (MnFe2O4) and calcium-doped manganese ferrite (Ca-MnFe2O4) were synthesized, characterized, and tested for oxidation of hydrocarbons (CH) in a self-designed gas blow rotating (GBR) reactor. The uniformly sized and thermally stable MnFe2O4 nanoparticles (molar ratio, 1/284.5) showed a reasonable catalytic activity (productivity: 366.17 mmolg−1h−1) with 60% selectivity at 80 °C, which was further enhanced by calcium doping (productivity: 379.38 mmolg−1h−1). The suspicious behavior of Ca-MnFe2O4 was disclosed experimentally and theoretically as well.