Boosting CO2 Hydrogenation to Formic Acid Through Secondary Metal Promotion in Fe3O‐Based MOF Catalysts
Metal–organic framework (MOF) catalysts are promising platforms for hydrogen energy systems, enabling CO2 conversion to formic acid (HCOOH), a liquid organic hydrogen carrier (LOHC) for hydrogen storage and release. Density functional theory (DFT) calculations (M06‐2X/6‐31G(d)/LANL2DZ) are performed to investigate CO2...