Constructing covalent organic frameworks with dense thiophene S sites for effective iodine capture

Abstract

. In addition, the DFT calculations proved that both imine N and thiophene S serve as active sites during the iodine adsorption. TAB-COF exposes more active sites on the premise of having a higher surface area, thereby leading to a higher iodine adsorption capacity. The results here indicate improved sorption efficacy by introducing thiophene in COFs for sorption applications in general and especially pave the way for developing stable and effective COF sorbents for iodine capture from various environments.