Adsorbate-induced lattice deformation in IRMOF-74 series
| Autor: | Davide Tiana, Matthew Witman, Sudi Jawahery, Cory M. Simon, Bess Vlaisavljevich, Efrem Braun, Berend Smit |
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| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
Work (thermodynamics)
Materials science Design Science General Physics and Astronomy 02 engineering and technology Crystal structure Deformation (meteorology) 010402 general chemistry 01 natural sciences General Biochemistry Genetics and Molecular Biology Article Molecular dynamics Adsorption MOF-74 Molecular-dynamics Multidisciplinary Energy Series (mathematics) Scattering Water General Chemistry Metal-organic frameworks 021001 nanoscience & nanotechnology 3. Good health 0104 chemical sciences Pores Chemical physics Augmented-wave method Carbon-dioxide Metal-organic framework 0210 nano-technology |
| Zdroj: | Jawahery, S; Simon, CM; Braun, E; Witman, M; Tiana, D; Vlaisavljevich, B; et al.(2017). Adsorbate-induced lattice deformation in IRMOF-74 series. Nature Communications, 8. doi: 10.1038/ncomms13945. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/6501w966 Nature communications, vol 8, iss 1 Nature Communications Nature Communications, Vol 8, Iss 1, Pp 1-9 (2017) |
| Popis: | 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. IRMOF-74 materials have thus far been thought to undergo only simple crystal lattice expansion upon gas adsorption. Here, Smit and co-workers demonstrate that these MOFs undergo a unique complex deformation upon argon uptake, changing how we view the fundamentals of adsorption in this series. |
| Databáze: | OpenAIRE |
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