Journal article
Adsorbate-induced lattice deformation in IRMOF-74 series
Nature communications, Vol.8(1), 13945
01/09/2017
DOI: 10.1038/ncomms13945
PMCID: PMC5228029
PMID: 28067222
Abstract
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.
Details
- Title: Subtitle
- Adsorbate-induced lattice deformation in IRMOF-74 series
- Creators
- Sudi Jawahery - University of California, BerkeleyCory M. Simon - University of California, BerkeleyEfrem Braun - University of California, BerkeleyMatthew Witman - University of California, BerkeleyDavide Tiana - École Polytechnique Fédérale de LausanneBess Vlaisavljevich - Northwestern UniversityBerend Smit - École Polytechnique Fédérale de Lausanne
- Resource Type
- Journal article
- Publication Details
- Nature communications, Vol.8(1), 13945
- Publisher
- Springer Nature
- DOI
- 10.1038/ncomms13945
- PMID
- 28067222
- PMCID
- PMC5228029
- ISSN
- 2041-1723
- eISSN
- 2041-1723
- Number of pages
- 9
- Grant note
- NSF Graduate Research Fellowship; National Science Foundation (NSF) 666983 / European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme; European Research Council (ERC) DE-SC0001015 / Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences; United States Department of Energy (DOE) National Center of Competence in Research (NCCR) 'Materials Revolution: Computational Design and Discovery of Novel Materials (MARVEL)' of the Swiss National Science Foundation (SNSF) DE-AC02-05CH11231 / Office of Science of the U.S. Department of Energy; United States Department of Energy (DOE)
- Language
- English
- Date published
- 01/09/2017
- Academic Unit
- Chemistry
- Record Identifier
- 9984618511302771
Metrics
13 Record Views