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• W4223993963 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." @default.
• W4223993963 created "2022-04-19" @default.
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• W4223993963 date "2022-04-15" @default.
• W4223993963 modified "2023-10-17" @default.
• W4223993963 title "Isotope-selective pore opening in a flexible metal-organic framework" @default.
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• W4223993963 doi "https://doi.org/10.1126/sciadv.abn7035" @default.
• W4223993963 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35417239" @default.
• W4223993963 hasPublicationYear "2022" @default.
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