Aliphatic amine-modified recombinant endoskeleton UiO-66 efficiently enhances CO2 capture performance

Rational chemical modification engineering of metal-organic frameworks (MOFs) is an effective means to improve their CO 2 capture efficiency. In this study, we prepare UiO-66 MOF impregnated with different types of aliphatic amines using solvothermal and impregnation techniques, respectively, and investigated their performances in CO 2 adsorption and CO 2 /N 2 separation using the isothermal adsorption method. Aliphatic amines successfully chemically modifies UiO-66, and their molecules effectively occupied the pores of the UiO-66 framework, which has been confirmed by material characterization, experiments, and DFT-FMO calculations. There are significant improvements in the ability to capture CO 2 when aliphatic amines were added to UiO-66 compared to pure UiO-66 (1.39 mmol/g up to 2.11 mmol/g-2.53 mmol/g), attributed to the different types and numbers of amines, and there were also differences in the Zr metal clusters and BDC ligands. Meanwhile, The material has better CO 2 /N 2 adsorption IAST selectivity(98) because its surface area is changed and N 2 does not interact specifically with the adsorbent. Furthermore, the CO 2 adsorption capacity remains constant across multiple adsorption cycles, highlighting the adsorbent's stability and reliability during repetitive CO 2 capture. This study provides new ideas and perspectives for improving the CO 2 capture efficiency of UiO-66.