Adsorbate-induced lattice deformation in IRMOF-74 series.
Sudi JawaheryCory M SimonEfrem BraunMatthew WitmanDavide TianaBess VlaisavljevichBerend SmitPublished in: Nature communications (2017)
IRMOF-74 analogues are among the most widely studied metal-organic frameworks (MOFs) for adsorption applications because of their one-dimensional channels and high metal density. Most studies involving the IRMOF-74 series assume that the crystal lattice is rigid. This assumption guides the interpretation of experimental data, as changes in the crystal symmetry have so far been ignored as a possibility in the literature. Here, we report a deformation pattern, induced by the adsorption of argon, for IRMOF-74-V. This work has two main implications. First, we use molecular simulations to demonstrate that the IRMOF-74 series undergoes a deformation that is similar to the mechanism behind breathing MOFs, but is unique because the deformation pattern extends beyond a single unit cell of the original structure. Second, we provide an alternative interpretation of experimental small-angle X-ray scattering profiles of these systems, which changes how we view the fundamentals of adsorption in this MOF series.
Keyphrases
- metal organic framework
- aqueous solution
- high resolution
- systematic review
- stem cells
- magnetic resonance imaging
- computed tomography
- drug induced
- molecular dynamics
- electronic health record
- oxidative stress
- cell therapy
- big data
- mesenchymal stem cells
- magnetic resonance
- diabetic rats
- high glucose
- molecular docking
- single molecule
- deep learning
- data analysis
- dual energy
- monte carlo