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Modulated self-assembly of an interpenetrated MIL-53 Sc metal–organic framework with excellent volumetric H2 storage and working capacity

DOI: 10.1016/j.mtchem.2022.100887 DOI Help

Authors: A. J. R. Thom (University of Glasgow) , D. G. Madden (University of Cambridge) , R. Bueno-Perez (University of Cambridge) , A.n. Al Shakhs (University of Cambridge) , C. T. Lennon (University of Glasgow) , R. J. Marshall (University of Glasgow) , C. A. Walshe (University of Glasgow) , C. Wilson (University of Glasgow) , C. A. Murray (Diamond Light Source) , S. P. Thompson (Diamond Light Source) , G. F. Turner (The University of Western Australia) , D. Bara (University of Glasgow) , S. A. Moggach (The University of Western Australia) , D. Fairen-Jimenez (University of Cambridge) , R. S. Forgan (University of Glasgow)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Materials Today Chemistry , VOL 24

State: Published (Approved)
Published: June 2022
Diamond Proposal Number(s): 22028

Open Access Open Access

Abstract: To achieve optimal performance in gas storage and delivery applications, metal–organic frameworks (MOFs) must combine high gravimetric and volumetric capacities. One potential route to balancing high pore volume with suitable crystal density is interpenetration, where identical nets sit within the void space of one another. Herein, we report an interpenetrated MIL-53 topology MOF, named GUF-1, where one-dimensional Sc(μ2-OH) chains are connected by 4,4′-(ethyne-1,2-diyl)dibenzoate linkers into a material that is an unusual example of an interpenetrated MOF with a rod-like secondary building unit. A combination of modulated self-assembly and grand canonical Monte Carlo simulations are used to optimise the porosity of GUF-1; H2 adsorption isotherms reveal a moderately high Qst for H2 of 7.6 kJ/mol and a working capacity of 41 g/L in a temperature–pressure swing system, which is comparable to benchmark MOFs. These results show that interpenetration is a potentially viable route to high-performance gas storage materials comprised of relatively simple building blocks.

Journal Keywords: Metal–organic frameworks; Hydrogen storage; Scandium; Coordination modulation; Flexible

Diamond Keywords: Hydrogen Storage

Subject Areas: Materials, Chemistry

Instruments: I11-High Resolution Powder Diffraction

Added On: 13/04/2022 10:16


Discipline Tags:

Chemistry Materials Science Metal-Organic Frameworks Metallurgy Organometallic Chemistry

Technical Tags:

Diffraction X-ray Powder Diffraction