Exploring the potential of perovskite LaBO3 (B = Co, Fe, Cu, Al) as an efficient and durable hydrogen production catalyst for methanol steam reforming: Experimental and DFT studies

Abstract

In this study, LaBO₃ (B = Co, Fe, Cu, Al) perovskite catalysts were introduced for Methanol Steam Reforming (MSR). Results showed that LaCoO₃ displayed a 100 % methanol conversion efficiency and a notable hydrogen production rate of 7.86 mol/min/g_cat, maintaining stability for more than 40 h at 600 °C. Theoretical computations indicate that the CH₃O dehydrogenation to CH₂O (a rate-determining process) occurs without methanol breaking down into methane and coke, thus ensuring its long-lasting stability. The fusion of experimental findings with theoretical forecasts underscores the prowess of LaCoO₃ as a remarkable perovskite catalyst and its extensive possibilities in the realm of methanol hydrogen generation.