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Instruments / Technical Area	Publication Details	Published	Actions
I19-Small Molecule Single Crystal Diffraction	Efficient capture and separation of xenon/krypton from off-gas by a radiation-resistant metal-organic framework Thien D. Duong , Jiangnan Li , Ruohan Li , Xin Lian , Yinlin Chen , Jiarui Fan , Joseph Hurd , Lixia Guo , Daniel Lee , Mark Warren , Sihai Yang Small 2013 DOI: 10.1002/smll.202508918 Diamond Proposal Number(s): [41123] Show Abstract ▼ Abstract: The capture of xenon (Xe) and krypton (Kr) from the off-gas of used nuclear fuel is of great importance to the treatment of radioactive wastes and production of high purity Xe. Solid sorbents, in particular metal–organic frameworks (MOFs), show promise in gas capture. However, the unknown radiation resistance of MOFs has limited their development. Herein, the efficient capture and separation of Xe/Kr by MFM-520, which strikes a remarkable stability toward 1750 kilogray (kGy) γ-irradiation, is reported. Under ambient conditions, dynamic breakthrough experiments confirm the efficient separation performance, yielding a Xe capacity of 66 and 0.2 mg g−1 from a by-product of air separation (Xe/Kr: 20/80; v/v) and off-gas (Xe/Kr: 400/40 ppm balance in air), respectively. In situ synchrotron X-ray single crystal diffraction and solid-state nuclear magnetic resonance (ssNMR) studies reveal that the optimal micropore of MFM-520 underpins specific host-guest interactions to Xe, resulting in selective Xe capture.	Oct 2025
B22-Multimode InfraRed imaging And Microspectroscopy I19-Small Molecule Single Crystal Diffraction	Adsorption of sulfur dioxide in Cu(II)-carboxylate framework materials: the role of ligand functionalization and open metal sites Weiyao Li , Jiangnan Li , Thien D. Duong , Sergey A. Sapchenko , Xue Han , Jack D. Humby , George F. S. Whitehead , Inigo J. Vitórica-Yrezábal , Ivan Da Silva , Pascal Manuel , Mark D. Frogley , Gianfelice Cinque , Martin Schroeder , Sihai Yang Journal Of The American Chemical Society 12 DOI: 10.1021/jacs.2c03280 Diamond Proposal Number(s): [28479, 23480] Open Access Show Abstract ▼ Abstract: The development of efficient sorbent materials for sulfur dioxide (SO2) is of key industrial interest. However, due to the corrosive nature of SO2, conventional porous materials often exhibit poor reversibility and limited uptake toward SO2 sorption. Here, we report high adsorption of SO2 in a series of Cu(II)-carboxylate-based metal–organic framework materials. We describe the impact of ligand functionalization and open metal sites on the uptake and reversibility of SO2 adsorption. Specifically, MFM-101 and MFM-190(F) show fully reversible SO2 adsorption with remarkable capacities of 18.7 and 18.3 mmol g–1, respectively, at 298 K and 1 bar; the former represents the highest reversible uptake of SO2 under ambient conditions among all porous solids reported to date. In situ neutron powder diffraction and synchrotron infrared microspectroscopy enable the direct visualization of binding domains of adsorbed SO2 molecules as well as host–guest binding dynamics. We have found that the combination of open Cu(II) sites and ligand functionalization, together with the size and geometry of metal–ligand cages, plays an integral role in the enhancement of SO2 binding.	Jul 2022

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