UiO-66 is a well-known metal organic framework that proved to be promising for various separation applications. In this report we study the molecular mobility and transport of n-butane and isobutane through the UiO-66. We show that n-butane propagates through the material significantly faster than isobutane both in terms of energetics (diffusion barrier is 25 kJ mol-1 for n-butane and 50 kJ mol-1 for isobutane) and rate (Di(303 K)/Dn(303 K) = 1700). This result allows expecting very high kinetic driven separation selectivity of n-butane/isobutane mixture in UiO-66.
Novel MOF-based polymer nanocomposite films were successfully prepared using Zr-based UiO-67 as a metal-organic framework (MOF) and polyurethane (PU) as a polymeric matrix. Synchrotron X-ray powder diffraction (SXRPD) analysis confirms the improved stability of the UiO-67 embedded nanocrystals and scanning electron microscopy images confirm their homogeneous distribution (average crystal size ~100-200 nm) within the 50-um thick film. Accessibility to the inner porous structure of the embedded MOFs was completely suppressed for N2 at cryogenic temperatures. However, ethylene adsorption measurem…
UiO-66 (Zr) is a metal-organic framework known for its thermal and chemical stability and wide range of possible applications. In particular, this material has high separation selectivity of various hydrocarbon mixtures. Moreover, it is was shown that the performance depends on the hydroxylation state of material (reversible phase transition $Zr_{6}O_{4}(OH)_{4} {\longrightarrow} Zr_{6}O_{6}$ at 250 - 300 $°C)$. Despite all the attention the UiO-66 received over past few years, the impact of the dehydroxylation on its properties remains poorly understood. In this contribution we apply $^{2}$H …
Connecting Defects and Amorphization in UiO-66 and MIL-140 Metal-organic Frameworks: A Combined Experimental and Computational Study
通过固态13 C NMR和对分布函数（PDF）研究，研究了金属有机框架（MOFs）UiO-66、MIL-140 B和MIL-140 C在球磨时的结构崩溃的机制和产物，发现在每种情况下通过一部分金属-配体键合的断裂进行非晶化。无定形产物含有使人联想到结晶相的无机-有机键合图案。虽然UiO-66的无机Zr 6 O 4（OH）4簇在结构崩溃时保持完整，但MIL-140框架的ZrO骨架经历了实质性的扭曲。用密度泛函理论计算了MIL-140 B的缺陷模型，并通过计算和实验的~（13）C NMR谱的比较表明，材料中的非晶化和缺陷是有联系的。
Combined Experimental and Theoretical Studies on Iodine Capture of Zr-based Metal-Organic Frameworks: Effect of N-functionalization and Adsorption Mechanism
Data-driven Design of Metal-Organic Frameworks with Tunable Negative Thermal Expansion
University of California, Berkeley（加州大学伯克利分校）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）；Università degli Studi di Roma La Sapienza（罗马第一大学）；Science and Technology Facilities Council（科学与技术设施委员会）；Argonne National Laboratory（阿贡国家实验室）
The practical application of sodium-ion hybrid capacitors is limited by their low energy densities resulted from the kinetics mismatch between cathodes and anodes, and the fire safety related to the flammable electrolyte-separator system. Hence, we report a rational design of metal-organic frameworks (MOFs, UiO-66) modified PVDF-HFP separator. High tensile strength and dimensional thermal stability of the separator reduce the risk of electrode short circuit caused by the separator deformation. MCC test demonstrates a reduction of 75% in peak heat release rate (pHRR), indicating an enhanced fir…
