Discovery of a molecular adsorbent for efficient CO(2)/CH(4) separation using a computation-ready experimental database of porous molecular materials

The development and sharing of computational databases for metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) have significantly accelerated the exploration and application of these materials. Recently, molecular materials have emerged as a notable subclass of porous materials, characterized by their crystallinity, modularity, and processability. Among these, macrocycles and cages stand out as representative molecules. Experimental discovery of a target molecular material...