Boosting Dynamic Nh3 Adsorption Performance of Uio-66 Via Amino-Induced Local Polarization

Abstract

In recent years, the adsorption and separation of ammonia (NH3) from airflow have garnered increasing attention, however, the adsorption ability of adsorbents still need to be further improved. In this study, amino-functionalization of UiO-66 was proposed to explore the dynamic NH3 adsorption performance with varying the type and proportion of organic ligands. It was found that the introduction of amino groups could significantly enhance the ammonia adsorption capacity by 78.5%, although a slight decrease in specific surface area and pore size was observed. Combined with the results of density functional theory and in-situ infrared, the boosting adsorption ability can be ascribed to the functionalization enhancing the polarity in the pore, thereby strengthening interactions with ammonia molecules through weak hydrogen bonding.

Keywords: UiO-66, Amino-functionalization, Dynamic adsorption, Ammonia gas, DFT