Crystals springing into action: metal-organic framework CUK-1 as a pressure-driven molecular spring.

ABSTRACT: Mercury porosimetry and in situ high pressure single crystal X-ray diffraction revealed the wine-rack CUK-1 MOF as a unique crystalline material capable of a fully reversible mechanical pressure-triggered structural contraction. The near-absence of hysteresis upon cycling exhibited by this robust MOF, akin to an ideal molecular spring, is associated with a constant work energy storage capacity of 40 J g^-1. Molecular simulations were further deployed to uncover the free-energy landscape behind this unprecedented pressure-responsive phenomenon in the area of compliant hybrid porous materials. This discovery is of utmost importance from the perspective of instant energy storage and delivery.

SUBMITTER: Iacomi P 

PROVIDER: S-EPMC8179595 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature