Adsorption of CO2 using ZIFs can be improved using ionic liquids (ILs) . Ionic liquids (ILs) such as 1-Butyl-3-methylimidazolium Acetate [Bmim][Ac] and 1-Ethyl-3-methylimidazolium Acetate [Emim][Ac] were impregnated into ZIF-8 for CO2 adsorption . [Bmim][Ac]@ZIF-8 with a loading of 30 wt.% IL exhibited high selectivity toward CO2 adsorption. [Bmim][Ac]@ZIF-30 showed higher CO2 uptake with excellent selectivity for all investigated temperatures (303, 313, and 323 K). It offered up to 7 times higher CO2 capacity than the pristine ZIF-8 at 0.2 bar and 303 K . CO2 can be dissolved into ILs. Thus, ZIFs materials containing ILs provided high adsorption capacity. The use of binary ILs enhanced the CO2 selectivity by 3.5-fold compared to simple ILs@ZIF-8 . A binary ILs with both hydrophobic-hydrophobic properties exhibited higher CO2 selectivity. This observation can be attributed to the strong interactions between CO2 and IL anions. Adsorption using simple and binary mixtures of ILs in ZIF-8 was investigated via density functional theory (DFT) and grand canonical Monte Carlo (GCMC) methods. Data analysis revealed that ILs with fluoride and hydrophobic properties exhibited high adsorption of CO2 . ILs encapsulated ZIFs materials exhibited higher adsorption capacity .