Surface of High-Entropy perovskite catalyst La(CoCuFeAlCe)0.2O3 (100) : Experimental study of methanol steam reforming for hydrogen production and DFT mechanism research
High-entropy perovskite catalyst was synthesized and utilized for the first time in the MSR catalytic reaction. Among the HEPs, La(CoCuFeAlCe)0.2O3 exhibited excellent MSR activity and high selectivity. The mechanism of the MSR reaction on the catalyst (100) surface was studied by employing DFT. The results indicate that the surface of La(CoCuFeAlCe)0.2O3 catalyst has the lowest energy barrier, wh