Thermodynamic Separation of Hydrogen Isotopes Using Hofmann-Type Metal-Organic Frameworks with High-Density Open Metal Sites

Junsu Ha, Minji Jung, Jaewoo Park, Hyunchul Oh, Hoi Ri Moon

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15 Scopus citations


Hydrogen isotope separation with nanoporous materials is a very challenging yet promising approach. To overcome the limitation of the conventional isotope separation strategy, quantum sieving-based separation using nanoporous materials has been investigated recently. In this study, to see the thermodynamic deuterium separation phenomena attributed to the chemical affinity quantum sieving effect, we examine Hofmann-type metal-organic frameworks (MOFs), Co(pyz)[M(CN)4] (pyz = pyrazine, M = Pd2+, Pt2+, and Ni2+), which have microporosity (4.0 × 3.9 Å2) and an extraordinarily high density of open metal sites (∼9 mmol/cm3). Owing to the preferential adsorption of D2 over H2 at strongly binding open metal sites, the Hofmann-type MOF, Co(pyz)[Pd(CN)4] exhibited a high selectivity (SD2/H2) of 21.7 as well as a large D2 uptake of 10 mmol/g at 25 K. This is the first study of Hofmann-type MOFs to report high selectivity and capacity, both of which are important parameters for the practical application of porous materials toward isotope separation.

Original languageEnglish
Pages (from-to)30946-30951
Number of pages6
JournalACS Applied Materials and Interfaces
Issue number27
StatePublished - 13 Jul 2022

Bibliographical note

Funding Information:
This work was supported by a National Research Foundation of Korea (NRF) Grant funded by the Ministry of Science and ICP (nos. NRF-2016R1A5A1009405, 2020R1A2C3008908, 2022R1A2C3005978). J.H. and M.J. were supported by the Basic Science Research Program through the NRF Grant funded by the Ministry of Education (NRF-2020R1A6A3A13076214, 2021R1A6A3A13043910, respectively).

Publisher Copyright:
© 2022 American Chemical Society.


  • deuterium
  • gas separation
  • hydrogen isotopes
  • isotope separation
  • metal-organic frameworks
  • MOFs
  • open metal sites
  • quantum sieving


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