Zeolite-supported single-atom catalysts (SACs) have emerged as a novel class of cheap and tuneable that can exhibit high activity, selectivity stability. In this work, we conduct an extensive screening by means density functional theory calculations to determine the usefulness 3d, 4d 5d transition metal (TM) SACs-supported in MFI-type Silicalite-1 zeolite for CO2 conversion. Two reaction mechan...