The DOI matches its Crossref record; 15 of the 15 references it cites were found in a registry or an index.
Stress-Based Model for the Breathing of Metal−Organic Frameworks
Open accessAbstract
Gas adsorption in pores of flexible metal-organic frameworks (MOF) induces elastic deformation and structural transitions associated with stepwise expansion and contraction of the material, known as breathing transitions between large pore (lp) and narrow pore (np) phases. We present here a simple yet instructive model for the physical mechanism of this enigmatic phenomenon considering the adsorption-induced stress exerted on the material as a stimulus that triggers breathing transitions. The proposed model implies that the structural transitions in MOFs occur when the stress reaches a certain critical threshold. We showcase this model by drawing on the example of Xe adsorption in MIL-53 (Al) at 220 K, which exhibits two consecutive hysteretic breathing transitions between lp and np phases. We also propose an explanation for the experimentally observed coexistence of np and lp phases in MIL-53 materials.
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Cites
Functional Porous Coordination Polymers
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Cited by
Thommes, M., Kaneko, K., Neimark, A. V., Olivier, J. P., Rodriguez-Reinoso, F., Rouquerol, J., & Sing, K. S. W. (2015) · Pure and Applied Chemistry · doi:10.1515/pac-2014-1117 · Cited by 21,202
Self-citationDensity functional theory methods for characterization of porous materials
Landers, J., Gor, G. Y., & Neimark, A. V. (2013) · Colloids and Surfaces A: Physicochemical and Engineering Aspects · doi:10.1016/j.colsurfa.2013.01.007 · Cited by 1,239
Self-citationMethane storage in flexible metal–organic frameworks with intrinsic thermal management
Mason, J. A., Oktawiec, J., Taylor, M. K., Hudson, M. R., Rodriguez, J., Bachman, J. E., Gonzalez, M. I., Cervellino, A., Guagliardi, A., Brown, C. M., et al. (2015) · Nature · doi:10.1038/nature15732 · Cited by 1,076
CO2 Capture and Separations Using MOFs: Computational and Experimental Studies
Yu, J., Xie, L.-H., Li, J.-R., Ma, Y., Seminario, J. M., & Balbuena, P. B. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00626 · Cited by 1,047
Structures of Metal–Organic Frameworks with Rod Secondary Building Units
Schoedel, A., Li, M., Li, D., O’Keeffe, M., & Yaghi, O. M. (2016) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00346 · Cited by 909
Metadata
- Authors
- Neimark, A. V., Coudert, F.-X., Boutin, A., & Fuchs, A. H.
- Venue
- The Journal of Physical Chemistry Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2009-12-17
- Volume
- 1
- Issue
- 1
- Pages
- 445-449
- ISSN
- 1948-7185 (ISSN-L)
- OpenAlex
- W2043259109
- Cited by
- 254
- References
- 15
- FWCI
- 9.99
- Type
- journal article
- Language
- en
- Open access
- green
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