Adsorption Contraction Mechanics: Understanding Breathing Energetics in Isoreticular Metal-Organic Frameworks
Krause S, Evans JD, Bon V, Senkovska I, Ehrling S, Stoeck U, Yot PG, Iacomi P, Llewellyn P, Maurin G, Coudert FX, Kaskel S (2018)
Publication Type: Journal article
Publication year: 2018
Journal
Book Volume: 122
Pages Range: 19171-19179
Journal Issue: 33
Abstract
A highly porous metal-organic framework DUT-48, isoreticular to DUT-49, is reported with a high surface area of 4560 m2·g-1 and methane storage capacity up to 0.27 g·g-1 (164 cm3·cm-3) at 6.5 MPa and 298 K. The flexibility of DUT-48 and DUT-49 under external and internal (adsorption-induced) pressure is analyzed and rationalized using a combination of advanced experimental and computational techniques. While both networks undergo a contraction by mechanical pressure, only DUT-49 shows adsorption-induced structural transitions and negative gas adsorption of n-butane and nitrogen. This adsorption behavior was analyzed by microcalorimetry measurements and molecular simulations to provide an explanation for the lack of adsorption-induced breathing in DUT-48. It was revealed that for DUT-48, a significantly lower adsorption enthalpy difference and a higher framework stiffness prevent adsorption-induced structural transitions and negative gas adsorption. The mechanical behavior of both DUT-48 and DUT-49 was further analyzed by mercury porosimetry experiments and molecular simulations. Both materials exhibit large volume changes under hydrostatic compression, demonstrating noteworthy potential as shock absorbers with unprecedented high work energies.
Involved external institutions
Technische Universität Dresden
Germany (DE)
University of Montpellier / Université Montpellier
France (FR)
Aix-Marseille University / Aix-Marseille Université
France (FR)
PSL Research University / Université de recherche Paris Sciences et Lettres
France (FR)
Germany (DE)
University of Montpellier / Université Montpellier
France (FR)
Aix-Marseille University / Aix-Marseille Université
France (FR)
PSL Research University / Université de recherche Paris Sciences et Lettres
France (FR)
How to cite
APA:
Krause, S., Evans, J.D., Bon, V., Senkovska, I., Ehrling, S., Stoeck, U.,... Kaskel, S. (2018). Adsorption Contraction Mechanics: Understanding Breathing Energetics in Isoreticular Metal-Organic Frameworks. Journal of Physical Chemistry C, 122(33), 19171-19179. https://doi.org/10.1021/acs.jpcc.8b04549
MLA:
Krause, Simon, et al. "Adsorption Contraction Mechanics: Understanding Breathing Energetics in Isoreticular Metal-Organic Frameworks." Journal of Physical Chemistry C 122.33 (2018): 19171-19179.
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