Isotope-selective pore opening in a flexible metal-organic framework

Bondorf L, Fiorio JL, Bon V, Zhang L, Maliuta M, Ehrling S, Senkovska I, Evans JD, Joswig JO, Kaskel S, Heine T, Hirscher M (2022)

Publication Type: Journal article

Publication year: 2022

Journal

Science Advances American Association for the Advancement of Science

Book Volume: 8

Article Number: eabn7035

Journal Issue: 15

DOI: 10.1126/sciadv.abn7035

Abstract

Flexible metal-organic frameworks that show reversible guest-induced phase transitions between closed and open pore phases have enormous potential for highly selective, energy-efficient gas separations. Here, we present the gate-opening process of DUT-8(Ni) that selectively responds to D2, whereas no response is observed for H2 and HD. In situ neutron diffraction directly reveals this pressure-dependent phase transition. Low-temperature thermal desorption spectroscopy measurements indicate an outstanding D2-over-H2 selectivity of 11.6 at 23.3 K, with high D2 uptake. First-principles calculations coupled with statistical thermodynamics predict the isotope-selective gate opening, rationalized by pronounced nuclear quantum effects. Simulations suggest DUT-8(Ni) to remain closed in the presence of HT, while it also opens for DT and T2, demonstrating gate opening as a highly effective approach for isotopolog separation.

Involved external institutions

Max Planck Institute for Intelligent Systems (MPI-IS) / Max-Planck-Institut für Intelligente Systeme

Germany (DE) Technische Universität Dresden

Germany (DE)

How to cite

APA:

Bondorf, L., Fiorio, J.L., Bon, V., Zhang, L., Maliuta, M., Ehrling, S.,... Hirscher, M. (2022). Isotope-selective pore opening in a flexible metal-organic framework. Science Advances, 8(15). https://doi.org/10.1126/sciadv.abn7035

MLA:

Bondorf, Linda, et al. "Isotope-selective pore opening in a flexible metal-organic framework." Science Advances 8.15 (2022).

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