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Instruments / Technical Area	Publication Details	Published	Actions
B18-Core EXAFS I11-High Resolution Powder Diffraction	Flexibility-frustrated porosity for enhanced selective CO2 adsorption in an ultramicroporous metal-organic framework Xu Chen , Dhruv Menon , Xiaoliang Wang , Meng He , Mohammad Reza Alizadeh Kiapi , Mehrdad Asgari , Yuexi Lyu , Xianhui Tang , Luke L. Keenan , William Shepard , Lik H. Wee , Sihai Yang , Omar K. Farha , David Fairen-Jimenez Chem 1 DOI: 10.1016/j.chempr.2024.11.020 Diamond Proposal Number(s): [32566, 34552] Open Access Show Abstract ▼ Abstract: Selective CO2 capture from industry is crucial for reducing emissions from fossil fuel combustion. Flexible metal-organic frameworks (MOFs) have shown promise for CO2 adsorption via differential binding and size-exclusion mechanisms. However, achieving precise pore-size control to selectively capture CO2, particularly in the presence of N2 and water, remains a challenge. Here, we demonstrate a strategy for frustrating framework flexibility in a MOF to create an optimal, confined pore environment that enhances selective CO2 recognition while maintaining high working capacity. We designed a flexible MOF, Cambridge University (CU)-4, by using a bulky cubane-derived ligand and In3+ ions that undergo dynamic breathing with a 2 Å contraction upon solvent exchange and removal. In situ synchrotron X-ray diffraction and molecular simulations reveal that the stable narrow-pore configuration creates a hydrogen-rich cavity that selectively binds CO2 via multiple hydrogen bonds. This physisorption-based CO2 recognition remains effective even at 80% humidity, making CU-4 promising for post-combustion carbon capture.	Jan 2025

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B18-Core EXAFS
I11-High Resolution Powder Diffraction

Flexibility-frustrated porosity for enhanced selective CO2 adsorption in an ultramicroporous metal-organic framework