Metal Organic Frameworks and Derived Materials for Advanced Applications

The employment of metal-organic frameworks in powder form is undesirable from an industrial perspective due to process and safety issues. This work is devoted to evaluating the impact of compression on the textural and structural properties of CPO-27(Ni). For this purpose, CPO-27(Ni) was synthesized under hydrosolvothermal conditions and characterized. Then, the resulting powder was compressed into binderless pellets using variable compression forces ranging from 5–90 kN (37–678 MPa) and characterized by means of nitrogen adsorption/desorption, thermogravimetric analysis and powder X-ray diffraction to evaluate textural, thermal and structural changes. Both textural and structural properties decreased with increasing compression force. Thermal stability was impacted in pellets compressed at forces over 70 kN. CPO-27(Ni) pelletized at 5, 8 and 10 kN, and retained more than 94% of its initial textural properties, while a loss of about one-third of the textural property was observed for the two most compressed samples (70 and 90 kN) compared to the starting powder. Full article

Zinc–air batteries (ZABs) have garnered significant interest as a viable substitute for lithium-ion batteries (LIBs), primarily due to their impressive energy density and low cost. However, the efficacy of zinc–air batteries is heavily dependent on electrocatalysts, which play a vital role in enhancing reaction efficiency and stability. This scholarly review article highlights the crucial significance of electrocatalysts in zinc–air batteries and explores the rationale behind employing Fe-Co-Ni-Zn-based metal–organic framework (MOF)-derived hybrid materials as potential electrocatalysts. These MOF-derived electrocatalysts offer advantages such as abundancy, high catalytic activity, tunability, and structural stability. Various synthesis methods and characterization techniques are employed to optimize the properties of MOF-derived electrocatalysts. Such electrocatalysts exhibit excellent catalytic activity, stability, and selectivity, making them suitable for applications in ZABs. Furthermore, they demonstrate notable capabilities in the realm of ZABs, encompassing elevated energy density, efficacy, and prolonged longevity. It is imperative to continue extensively researching and developing this area to propel the advancement of ZAB technology forward and pave the way for its practical implementation across diverse fields. Full article

The UiO-6x family of metal-organic frameworks has been extensively studied for applications in chemical warfare agent (CWA) capture and destruction. An understanding of intrinsic transport phenomena, such as diffusion, is key to understanding experimental results and designing effective materials for CWA capture. However, the relatively large size of CWAs and their simulants makes diffusion in the small-pored pristine UiO-66 very slow and hence impractical to study directly with direct molecular simulations because of the time scales required. We used isopropanol (IPA) as a surrogate for CWAs to investigate the fundamental diffusion mechanisms of a polar molecule within pristine UiO-66. IPA can form hydrogen bonds with the ${\mu }_3$-OH groups bound to the metal oxide clusters in UiO-66, similar to some CWAs, and can be studied by direct molecular dynamics simulations. We report self, corrected, and transport diffusivities of IPA in pristine UiO-66 as a function of loading. Our calculations highlight the importance of the accurate modeling of the hydrogen bonding interactions on diffusivities, with about an order of magnitude decrease in diffusion coefficients when the hydrogen bonding between IPA and the ${\mu }_3$-OH groups is included. We found that a fraction of the IPA molecules have very low mobility during the course of a simulation, while a small fraction are highly mobile, exhibiting mean square displacements far greater than the ensemble average. Full article