Lattice-driven gating in a Cu-based zeolitic imidazolate framework for efficient high-temperature hydrogen isotope separation

Abstract For the separation of hydrogen isotopes (H2/D2), traditional kinetic quantum sieving (KQS) takes advantage of the diffusion barriers created by the flexibility of organic linkers and the breathing frameworks in porous solids. While the phenomena have been observed typically below 77 K, in t...

Full description

Saved in:
Bibliographic Details
Main Authors: Minji Jung, Jaewoo Park, Raeesh Muhammad, Taeung Park, Sung-Yeop Jung, Jungwon Yi, Cheolwon Jung, Jacques Ollivier, Anibal J. Ramirez-Cuesta, Jitae T. Park, Jaheon Kim, Margarita Russina, Hyunchul Oh
Format: Article
Language:English
Published: Nature Portfolio 2025-02-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-56649-5
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1849726601419292672
author Minji Jung
Jaewoo Park
Raeesh Muhammad
Taeung Park
Sung-Yeop Jung
Jungwon Yi
Cheolwon Jung
Jacques Ollivier
Anibal J. Ramirez-Cuesta
Jitae T. Park
Jaheon Kim
Margarita Russina
Hyunchul Oh
author_facet Minji Jung
Jaewoo Park
Raeesh Muhammad
Taeung Park
Sung-Yeop Jung
Jungwon Yi
Cheolwon Jung
Jacques Ollivier
Anibal J. Ramirez-Cuesta
Jitae T. Park
Jaheon Kim
Margarita Russina
Hyunchul Oh
author_sort Minji Jung
collection DOAJ
description Abstract For the separation of hydrogen isotopes (H2/D2), traditional kinetic quantum sieving (KQS) takes advantage of the diffusion barriers created by the flexibility of organic linkers and the breathing frameworks in porous solids. While the phenomena have been observed typically below 77 K, in this study, we present that a copper-based zeolite imidazolate framework (Cu-ZIF-gis) can show KQS above 120 K. Since Cu-ZIF-gis has narrow channels with ca. 2.4 Å in aperture, the small pore size itself acts as a diffusion barrier. This barrier changes with temperatures, leading to pore contraction or expansion through lattice-driven gating (LDG). The H2 adsorption isotherms measured at 40 – 150 K reflect the temperature sensitivity of the pore properties. Quasi-elastic neutron scattering (QENS) experiments indicate a notable difference in the molecular mobility of H2 and D2, even at temperatures exceeding 150 K. Temperature-variation powder X-ray diffraction measurements at 20 – 300 K show a small but gradual increase in the unit cell volume, indicating that LDG gives rise to the KQS at temperatures above 120 K. These findings can be applied to develop sustainable isotope separation technologies using existing LNG cryogenic infrastructure.
format Article
id doaj-art-6f6d6644df244c38b22f9504a9c9cf55
institution DOAJ
issn 2041-1723
language English
publishDate 2025-02-01
publisher Nature Portfolio
record_format Article
series Nature Communications
spelling doaj-art-6f6d6644df244c38b22f9504a9c9cf552025-08-20T03:10:07ZengNature PortfolioNature Communications2041-17232025-02-0116111110.1038/s41467-025-56649-5Lattice-driven gating in a Cu-based zeolitic imidazolate framework for efficient high-temperature hydrogen isotope separationMinji Jung0Jaewoo Park1Raeesh Muhammad2Taeung Park3Sung-Yeop Jung4Jungwon Yi5Cheolwon Jung6Jacques Ollivier7Anibal J. Ramirez-Cuesta8Jitae T. Park9Jaheon Kim10Margarita Russina11Hyunchul Oh12Department of Chemistry, Ulsan National Institute of Science and Technology (UNIST)Department of Chemistry, Ulsan National Institute of Science and Technology (UNIST)Department of Chemistry, Ulsan National Institute of Science and Technology (UNIST)Graduate School of Carbon Neutrality, Ulsan National Institute of Science and Technology (UNIST)Department of Chemistry, Ulsan National Institute of Science and Technology (UNIST)Department of Chemistry, Ulsan National Institute of Science and Technology (UNIST)Department of Chemistry, Soongsil UniversityInstitute Laue-Langevin, 71 avenue des Martyrs CS 20156, 38042Neutron Scattering Division, Oak Ridge National LaboratoryHeinz Maier-Leibnitz Zentrum (MLZ), Technische Universität MünchenDepartment of Chemistry, Soongsil UniversityHelmholtz Zentrum Berlin fur Materialien und Energie Hahn-Meitner-Platz 1Department of Chemistry, Ulsan National Institute of Science and Technology (UNIST)Abstract For the separation of hydrogen isotopes (H2/D2), traditional kinetic quantum sieving (KQS) takes advantage of the diffusion barriers created by the flexibility of organic linkers and the breathing frameworks in porous solids. While the phenomena have been observed typically below 77 K, in this study, we present that a copper-based zeolite imidazolate framework (Cu-ZIF-gis) can show KQS above 120 K. Since Cu-ZIF-gis has narrow channels with ca. 2.4 Å in aperture, the small pore size itself acts as a diffusion barrier. This barrier changes with temperatures, leading to pore contraction or expansion through lattice-driven gating (LDG). The H2 adsorption isotherms measured at 40 – 150 K reflect the temperature sensitivity of the pore properties. Quasi-elastic neutron scattering (QENS) experiments indicate a notable difference in the molecular mobility of H2 and D2, even at temperatures exceeding 150 K. Temperature-variation powder X-ray diffraction measurements at 20 – 300 K show a small but gradual increase in the unit cell volume, indicating that LDG gives rise to the KQS at temperatures above 120 K. These findings can be applied to develop sustainable isotope separation technologies using existing LNG cryogenic infrastructure.https://doi.org/10.1038/s41467-025-56649-5
spellingShingle Minji Jung
Jaewoo Park
Raeesh Muhammad
Taeung Park
Sung-Yeop Jung
Jungwon Yi
Cheolwon Jung
Jacques Ollivier
Anibal J. Ramirez-Cuesta
Jitae T. Park
Jaheon Kim
Margarita Russina
Hyunchul Oh
Lattice-driven gating in a Cu-based zeolitic imidazolate framework for efficient high-temperature hydrogen isotope separation
Nature Communications
title Lattice-driven gating in a Cu-based zeolitic imidazolate framework for efficient high-temperature hydrogen isotope separation
title_full Lattice-driven gating in a Cu-based zeolitic imidazolate framework for efficient high-temperature hydrogen isotope separation
title_fullStr Lattice-driven gating in a Cu-based zeolitic imidazolate framework for efficient high-temperature hydrogen isotope separation
title_full_unstemmed Lattice-driven gating in a Cu-based zeolitic imidazolate framework for efficient high-temperature hydrogen isotope separation
title_short Lattice-driven gating in a Cu-based zeolitic imidazolate framework for efficient high-temperature hydrogen isotope separation
title_sort lattice driven gating in a cu based zeolitic imidazolate framework for efficient high temperature hydrogen isotope separation
url https://doi.org/10.1038/s41467-025-56649-5
work_keys_str_mv AT minjijung latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT jaewoopark latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT raeeshmuhammad latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT taeungpark latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT sungyeopjung latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT jungwonyi latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT cheolwonjung latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT jacquesollivier latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT anibaljramirezcuesta latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT jitaetpark latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT jaheonkim latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT margaritarussina latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation
AT hyunchuloh latticedrivengatinginacubasedzeoliticimidazolateframeworkforefficienthightemperaturehydrogenisotopeseparation