Influence of Structural Determinants on Dihydrogen Adsorption and Isotopologue Separation in Nanoporous Metal–Organic Frameworks

Chetry S, Sarkar P, Bakhtian M, Hirscher M, Krautscheid H (2026)

Publication Type: Journal article

Publication year: 2026

Journal

ACS Applied Materials and Interfaces American Chemical Society

Book Volume: 18

Pages Range: 16854-16862

Journal Issue: 11

DOI: 10.1021/acsami.5c24726

Abstract

Efficient separation of dihydrogen isotopologues, particularly D2, is critical for applications in nuclear energy technology and environmental sciences. Conventional methods, such as cryogenic distillation, are energy-intensive and provide limited selectivity (S ≈ 1.4). Here, we report a systematic evaluation of diverse MOFs with ultramicropores, open metal sites (OMS), and framework flexibility for D2/H2 separation. Thermal desorption spectroscopy (TDS) and adsorption studies revealed that ultramicroporous MOFs enable preferential D2 adsorption via kinetic quantum sieving, while bimetallic Ni-MOF-74(Co) achieves high selectivity (S = 52 at 77 K) through OMS-driven chemical affinity quantum sieving. Flexible MOFs, [Cu2(nPr-trz-ia)2] and [Cu2(Et-trz-ia)2], show temperature-responsive cryogenic flexibility with selectivities of 1.4–2.3 at 77 K. These findings highlight structural design as the key to advancing dihydrogen isotopologue separation at practical temperatures.

Involved external institutions

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

How to cite

APA:

Chetry, S., Sarkar, P., Bakhtian, M., Hirscher, M., & Krautscheid, H. (2026). Influence of Structural Determinants on Dihydrogen Adsorption and Isotopologue Separation in Nanoporous Metal–Organic Frameworks. ACS Applied Materials and Interfaces, 18(11), 16854-16862. https://doi.org/10.1021/acsami.5c24726

MLA:

Chetry, Sibo, et al. "Influence of Structural Determinants on Dihydrogen Adsorption and Isotopologue Separation in Nanoporous Metal–Organic Frameworks." ACS Applied Materials and Interfaces 18.11 (2026): 16854-16862.

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