Correlated Disorder on the Mechanical Responses of Fumarate Based Metal Organic Frameworks

Metal-organic frameworks (MOFs) are highly modular, crystalline, porous materials. They have shown promise in several fields with applications ranging from the selective capture of small molecules to catalysis and more recently, energy storage due to the breathing effect of some MOFs. Several studies highlight the significance of composition on the flexibility of such MOFs, but the effects of ligand-dependent correlated disorder remain vastly unknown due to limitations and difficult synthesis. Hence, we turn to computational approaches which can help with the understanding of mechanical responses of breathing MOFs.