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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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We report a general method for the synthesis of free-standing, self-assembled MOF monolayers (SAMMs) at an air–water interface using polymer-brush coated MOF nanoparticles.
Colour is at the core of chemistry and has been fascinating humans since ancient times. It is also a key descriptor of optoelectronic properties of materials and is often used to assess the success of a synthesis. However, predicting the colour of a material based on its structure is challenging. In this work, we leverage subjective and categorical human assignments of colours to build a model that can predict the colour of compounds on a continuous scale. In the process of developing the model, we also uncover inadequacies in current reporting mechanisms. For example, we show that the majority of colour assignments are subject to perceptive spread that would not comply with common printing standards. To remedy this, we suggest and implement an alternative way of reporting colour—and chemical data in general. All data is captured in an objective, and standardised, form in an electronic lab notebook and subsequently automatically exported to a repository in open formats, from where it can be interactively explored by other researchers. We envision this to be key for a data-driven approach to chemical research.
A robust In-MOF, In(tcpp), demonstrates sensitive detection of the fluorinated chemical species F − and PFOA via distinctly different luminescence signal change, and effective adsorption and removal of both species from aqueous solution.
Chemically and hydrolytically stable MOFs have shown promising water-vapor adsorption properties. However, MOFs that can simultaneously satisfy the following three requirements for effective water harvesting from low-humidity air are quite rare: (1) high water-uptake capacity; (2) hydrolytic and mechanical stability; (3) complete uptake at ~20–30% relative humidity (RH). Here we show that incorporating free halide ions is effective for enabling a representative Zr-MOF to meet these requirements for water harvesting. As-synthesized MOF-808 initially exhibits very good capacity at RH ≥ 30%, but quickly suffers large capacity losses due to water-evacuation-induced pore collapse. Via a framework-charging and free counter-ion inclusion approach, we were able to replace node-ligated formate anions with charge-neutral aqua ligands and site desired water-sorbing free-halide ions within the large pores of MOF-808 . In this study, altered samples show increased gravimetric water uptake, show beneficial shifts of water sorption isotherms toward lower water-vapor partial pressure, eliminate undesirable sorption/desorption isotherm hysteresis, and render MOF-808-Br indefinitely recyclable for ambient-temperature uptake of water vapor and lower-temperature liquid-water release.
To understand the exceptional adsorption of ammonia (NH 3 ) in MFM-300(Sc) (19.5 mmol g -1 at 273 K and 1 bar without hysteresis), we report a systematic investigation of the mechanism of adsorption by a combination of in situ neutron powder diffraction, inelastic neutron scattering, synchrotron infrared microspectroscopy, and solid-state 45 Sc NMR spectroscopy. These complementary techniques reveal the formation of reversible host–guest supramolecular interactions, which explains directly the observed excellent reversibility of this material over 90 adsorption–desorption cycles.
A novel microporous indium-based MOF material with unique 3-way rod-shaped secondary building units (SBUs), UTSA-22, was reported and exhibited high methane (CH 4 ) and hydrogen (H 2 ) storage. At 298 K and 65 bar, the total CH 4 volumetric uptake of UTSA-22 is 174 cm 3 (STP) cm -3 . Moreover, UTSA-22 shows a high CH 4 working capacity of 146 cm 3 (STP) cm -3 in a pressure range of 5–65 bar at 298 K. Additionally, UTSA-22 shows a high H 2 gravimetric storage capacity (1.2 wt%) at 298 K and 100 bar.
Identifying the relationship between structure and energetics in a uranium MOF isomer system reveals how non-equilibrium synthetic conditions can be used as a strategy to target metastable MOFs.
This review highlights the promising prospects of defective zirconium-based MOFs in addressing challenging energy- and environment-related problems, positioning them as versatile tools toward a cleaner and more sustainable future.
It is found that the thermal expansion behaviors are highly dependent on the framework topologies for indium biphenyl tetracarboxylate based MOFs.
A comprehensive examination of mmen-Mg 2 (dobpdc) as a direct air capture adsorbent to determine its practical feasibility and performance for potential industrialization in mitigating climate change by reducing atmospheric CO 2 levels.
Secondary linkers with different length are installed in a stepwise fashion inside rare-earth MOFs consisting of less connected RE 6 clusters.
A novel MOF [Zn 2 (L)(DMF)] was synthesized showing high crystallinity and stability up to 250 °C. Its nitrogen-rich pyrazole linkers enable good CO 2 adsorption with a low isosteric enthalpy. Adsorption results were validated by DFT calculations.
Designing sorbents with sub-angstrom pore control is challenging due to the inherent flexibility of MOFs. We explore two systems with varying linker bulkiness to delineate types of flexibility (local or global) based on the energetics driving them.
OligoMOFs based on the IRMOF-1 structure type were prepared with functionalized tethers that enable new MOF characteristics and handles for postsynthetic modification.
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