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Modeling and Techno-Economic Optimization of a Tetraamine-Appended Metal–Organic Framework for NGCC-Based CO 2 Capture Using Fixed Bed Contactors
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Fine Tuning the Pore Surface in Zirconium Metal–Organic Frameworks for Selective Ethane/Ethylene Separation
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Using Machine Learning and Data Mining to Leverage Community Knowledge for the Engineering of Stable Metal–Organic Frameworks
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Roles of Alkali Metals and Ionic Networks in Directing the Formation of Anionic Metal–Organic Frameworks
Integrating different types of fundamental chemical interactions to direct the self-assembly processes and to control the dimension of the network formed by each type of interactions is a promising strategy to develop advanced functional materials. Here, the ionic interaction of alkali metals (Na, K, Cs) towards multi-functional 2,2’-disulfo-4,4’-oxydibenzoic acid is utilized in two solvent systems, aqueous-amide and uro-amide, to synthesize six novel anionic framework materials with dramatically different features and dimensionalities: (Na 3 [Zn 4 O(L 4- ) 3 (e-murea)(H 2 O) 3 ](H 2 N(CH 3 ) 2 +) 3 (CPM-s1), [Zn 4 O(L 4- ) 3 (DMF)]((NH 2 (CH 3 ) 2 +) 6 ) (CPM-s2), Na 6 [(Zn 2 OH 2 ) 3 (L 3- ) 6 ](H 2 O) 3 (CPM-s3), K 3 [Zn 2 (L 4- ) 2 ](H 2 N(CH 3 ) 2 +)(e-murea) 2 (H 2 O) 3 (CPM-s4), K 4 [Zn(L 3- ) 2 ](H 2 O) 2 (CPM-s5), and Cs 6 [Zn(L 4- ) 2 ](H 2 O) 2 (CPM-s6), L 4- = 2,2’-disulfo-4,4’-oxydibenzoate, DMF = N,N-dimethylformamide, e-murea = 1,3-dimethyl-1-2-imidazolidinone). In CPM-s1 to CPM-s6, the alkali-sulfonate ionic bonding networks transformed from 0D clusters with Na + to 1D chains and 2D sheets with K + , and 3D network with Cs + . These vastly differing ionic domains influenced the coordination modes and spatial arrangements of the metal-carboxylate linkers, which consequently, directed the dimensionality of the coordination networks from 3D with Na + to 1D with Cs + . CPM-s1 and CPM-s2, made from tetrameric Zn 4 O clusters are rare examples of anionic MOF-5-type structures. CPM-s3 features an unprecedented hexameric Zn 6 cluster. Even though a large portion of the charge-balancing cations in these materials would hamper hydrogen bonding networks, some of them still exhibit very high ionic conductivity (e.g. 1.25 x 10 -3 S cm -1 in CPM-s3), suggesting the potential of these materials as solid-state electrolytes.
Spin Crossover and Exchange Effects on Oxygen Evolution Reaction Catalyzed by Bimetallic Metal Organic Frameworks
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Quantifying Ligand Binding to the Surface of Metal–Organic Frameworks
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Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery
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Metal–Organic Frameworks Constructed from Branched Oligomers
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A Potential Roadmap to Integrated Metal Organic Framework Artificial Photosynthetic Arrays
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Thermal Treatment Effect on CO and NO Adsorption on Fe(II) and Fe(III) Species in Fe 3 O-Based MIL-Type Metal–Organic Frameworks: A Density Functional Theory Study
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Challenge of Small Energy Differences in Metal–Organic Framework Reactivity
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Rapid Exciton Transport and Structural Defects in Individual Porphyrinic Metal Organic Framework Microcrystals
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Snowflake porous multi-metal oxide nanocatalysts from metallocene@metal organic framework precursors
We report a general approach to prepare ‘snowflake’ porous metal oxide nanostructured catalysts using tailored precursors consisting of metallocenes embedded within MOFs via thermal treatment under air. The resulting well-dispersed multi-metallic nanocatalysts show improved activity for ammonia synthesis at low temperature.
The Surface Chemistry of Metal Oxide Clusters: From Metal–Organic Frameworks to Minerals
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Expanding the Design Space of Polymer–Metal Organic Framework (MOF) Gels by Understanding Polymer–MOF Interactions
The fabrication of polymer-MOF composite gels holds great potential to provide emergent properties for drug delivery, environmental remediation, and catalysis. To leverage the full potential of these composites, we investigated how the presence and chemistry of polymers impact MOF formation within the composites and, in turn, how MOFs impact polymer gelation. We show that polymers with a high density of strongly metal-binding carboxylic acids inhibit MOF formation; however, reducing the density of carboxylic acids or substituting them with weaker metal-binding hydroxyl groups permits both MOF formation and gelation within composites. Preparing composites with poly(ethylene glycol) (PEG), which does not bind MOF zirconium (Zr)-oxo clusters, and observing gelation suggests that MOFs can entrap polymer chains to create cross-links in addition to cross-linking them through polymer-Zr-oxo interactions. Both simulations and experiments show composite hydrogels formed with poly(vinyl alcohol) (PVA) to be more stable than those made with PEG, which can reptate through MOF pores upon heating. We demonstrate the generalizability of this composite formation process across different Zr-based MOFs (UiO-66, NU-901, UiO-67, and MOF-525) and by spin-coating gels into conformable films. PVA-UiO-66 composite hydrogels demonstrated high sorption and sustained release of methylene blue relative to the polymer alone (3× loading, 28× slower release), and PVA-MOF-525 composite hydrogels capably sorb the therapeutic peptide Angiotensin 1–7. By understanding the influence of polymer-MOF interactions on the structure and properties of composite gels, this work informs and expands the design space of this emerging class of materials.