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Researchers Achieve Record Hydrogen Isotope Separation via Isotopologue-Driven Dynamics（英語版のみ）

A research team led by Linda Zhang at Tohoku University has developed a novel metal-organic framework (MOF) that enables record-breaking separation of hydrogen isotopes, achieving a D₂/H₂ selectivity of 32.5 at 60 K.

The findings, published in Nature Communications on July 1, 2025, represent a major advance in the quest for energy-efficient deuterium production.

Deuterium, a stable isotope of hydrogen, is indispensable for a wide range of technologies, including nuclear fusion reactors, semiconductor processing, optical fibers, and deuterium-labeled pharmaceuticals. However, its chemical similarity to ordinary hydrogen makes isotopic separation extremely challenging. Traditional methods such as cryogenic distillation operate at -250°C and consume large amounts of energy, making them environmentally and economically costly.

The reported MOF, based on a triazolate ligand and manganese ions, demonstrates exceptional selectivity by leveraging isotopologue-specific structural dynamics. In this novel mechanism, the framework responds differently depending on whether it hosts hydrogen or deuterium. When exposed to a gas mixture containing less than 5% deuterium (natural abundance), the material successfully concentrated it to 75% in a single separation cycle, proving its practical potential.

Neutron powder diffraction experiments conducted at the Australian Nuclear Science and Technology Organisation (ANSTO) and Oak Ridge National Laboratory (ORNL) revealed the material’s two distinct adsorption sites: site 1: small pockets surrounded by triazole ligands, and site 2: larger framework channels. At low temperatures, hydrogen fills one site first before migrating to the second, while deuterium simultaneously occupies both. This unexpected behavior arises from differences in how each isotope interacts with the lattice, inducing subtle but measurable framework expansion. “This work shows how fine-tuned host–guest dynamics at the atomic level can be exploited for real-world applications,” said senior author Michael Hirscher of the Max Planck Institute (also affiliated with WPI-AIMR, Tohoku University). “It offers a pathway toward practical isotope separation systems that are both scalable and energy-efficient.”

“Our study demonstrates that even small differences between isotopes can be amplified through responsive material behavior,” added Zhang, who was also lead author of the paper. “This provides a new strategy for isotope separation using materials-based approaches rather than relying solely on large-scale physical processes.”

Beyond its performance, the MOF stands out for its practical viability. It is constructed from commercially available ligands and built upon a modular framework type, which can be readily adapted to different metals. These characteristics, combined with its exceptional selectivity, suggest strong potential for future scaling and industrial integration.

This project was the result of a close international collaboration involving researchers from Japan, Germany, Australia, and the United States. It also exemplifies the importance of interdisciplinary research, combining expertise in materials chemistry, condensed matter physics, neutron scattering, and computational modeling. By combining diverse expertise, the team revealed mechanisms of isotope-selective adsorption that would remain hidden within any single field.

論文情報

タイトル：	Isotopologue-induced structural dynamics of a triazolate metal-organic framework for efficient hydrogen isotope separation
著者：	inda Zhang, Richard Rööß-Ohlenroth, Vanessa K. Peterson, Samuel G. Duyker, Cheng Li, Jhonatan Luiz Fiorio, Jan-Ole Joswig, Robert Dinnebier, Dirk Volkmer, Michael Hirscher
掲載誌：	Nature Communications
DOI：	10.1038/s41467-025-61107-3

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