“…Recently, metal–organic frameworks (MOFs), covalent–organic frameworks (COFs), and hydrogen-bonded organic frameworks (HOFs) have been investigated. − Among these materials, MOFs, a new class of functional material constructed by rigid organic linkers and metal ions/metal clusters, were considered as the promising candidates for Xe and Kr separation due to their high surface area, tailorable pore structures, and versatile functionalities. MOFs were used in different fields such as ion-exchange, photonics, sensors, and especially gas storage and separation. − Until now, several MOFs were studied as adsorbents for Xe/Kr separation in both experimental and computational aspects. − Thallapally and co-workers synthesized a microporous MOF (SBMOF-2) to separate Xe and Kr . Wang et al reported a 3D thorium MOF (SCU-11) which exhibited a unique 10-coordinate geometry for metal ion of Th 4+ , resulting in superior Xe/Kr uptake and separation .…”