Eliminating the use of critical metals in cathode materials can accelerate global adoption rechargeable lithium-ion batteries. Organic materials, derived entirely from earth-abundant elements, are principle ideal alternatives but have not yet challenged inorganic cathodes due to poor conductivity, low practical storage capacity, or cyclability. Here, we describe a layered organic electrode material whose high electrical and complete insolubility enable reversible intercalation Li+ ions,...

Molecular materials must deliver high current densities to be competitive with traditional heterogeneous catalysts. Despite their density of active sites, it has been unclear why the reported O2 reduction reaction (ORR) activity molecularly defined conductive metal–organic frameworks (MOFs) have very low: ca. −1 mA cm–2. Here, we use a combination gas diffusion electrolyses and nanoelectrochemical measurements lift multiscale transport limitations show that intrinsic electrocatalytic ORR...

Recent advancements in quantum sensing have sparked transformative detection technologies with high sensitivity, precision, and spatial resolution. Owing to their atomic-level tunability, molecular qubits ensembles thereof are promising candidates for chemical analytes. Here, we show of lithium ions solution at room temperature an ensemble organic radicals integrated a microporous metal-organic framework (MOF). The exhibit electron spin coherence microwave addressability temperature, thus...

We reveal here the construction of Ni-based metal-organic frameworks (MOFs) and conjugated coordination polymers (CCPs) with different structural dimensionalities, including closely π-stacked 1D chains (Ni-1D), aggregated 2D layers (Ni-2D), a 3D framework (Ni-3D), based on 2,3,5,6-tetraamino-1,4-hydroquinone (TAHQ) its various oxidized forms. These materials have same metal-ligand composition but exhibit distinct electronic properties caused by dimensionalities supramolecular interactions...

We investigated the water H-bond network and its dynamics in Ni2Cl2BTDD, a prototypical MOF for atmospheric harvesting, using linear ultrafast IR spectroscopy. Utilizing isotopic labeling infrared spectroscopy, we found that forms an extensive H-bonding Ni2Cl2BTDD. Further investigation with spectroscopy revealed can reorient confined cone up to ∼50° within 1.3 ps. This large angle reorientation indicates rearrangement, similar bulk water. Thus, although is different from other systems,...

In the presence of water, electrically conductive metal-organic framework (MOF) Cu

Acute traumatic spinal cord injury (SCI) is marked by the enhanced production of local cytokines and pro-inflammatory substances that induce gliosis prevent reinnervation. The transplantation stem cells a promising treatment strategy for SCI. In order to facilitate functional recovery, we employed cell therapy alone or in combination with curcumin, naturally-occurring anti-inflammatory component turmeric (Curcuma longa), which potently inhibits NF-κB. Spinal contusion following laminectomy...

Materials capable of selectively adsorbing or releasing water can enable valuable applications ranging from efficient humidity and temperature control to the direct atmospheric capture potable water. Despite recent progress in employing metal-organic frameworks (MOFs) as privileged sorbents, developing a readily accessible, water-stable MOF platform that be systematically modified for high uptake at low relative remains significant challenge. We herein report development tunable efficiently...

Devices that utilize the reversible capture of water vapor provide solutions to insecurity, increasing energy demand, and sustainability. In all these applications, it is important minimize adsorption–desorption hysteresis. Hysteresis particularly difficult avoid for sorbents bind strongly, such as those take up below 10% relative humidity (RH). Even though theoretical factors affect hysteresis are understood, understanding structure–function correlations dictate hysteretic behavior in...

Two-dimensional conductive metal-organic frameworks (2D cMOFs) are an emerging class of crystalline van der Waals layered materials with tunable porosity and high electrical conductivity. They have been used in a variety applications, such as energy storage conversion, chemiresistive sensing, quantum information. Although designing new 2D cMOFs studying their composition/structure-property relationships attracted significant attention, there still very few examples that exhibit...

The mechanism originally proposed by Fischer and Tropsch for carbon monoxide (CO) hydrogenative catenation involves C–C coupling from a carbide-derived surface methylidene. A single molecular system capable of capturing these complex chemical steps is hitherto unknown. Herein, we demonstrate the sequential addition proton hydride to terminal Mo carbide derived CO. resulting anionic methylidene couples with CO (1 atm) at low temperature (−78 °C) release ethenone. Importantly, synchronized...

Ionic liquids (ILs) are promising materials for application in a new generation of Li batteries. They can be used as electrolyte or interlayer incorporated into other materials. ILs have the ability to form stable solid electrochemical interface (SEI), which plays an important role protecting Li-based electrode from oxidation and extensive decomposition. Experimentally, it is hardly possible elicit fine details SEI structure. To remedy this situation, we performed comprehensive computational...

Atmospheric water capture (AWC) has tremendous potential to address the global shortage of clean drinking water. The Ni2Cl2(BTDD) metal–organic framework (MOF) shown optimal sorption performance under low relative humidity conditions, but its potentially high production costs, stemming in part from lengthy multiday synthesis, hindered widespread implementation. As with most traditional MOF syntheses, original synthesis involves batch reactors that have intrinsic inefficiencies impacting...

Increasing the connectivity of structural units presents a potentially valuable approach to improve hydrolytic stability in metal-organic frameworks (MOFs). We herein leverage this strategy by synthesizing first tritopic benzotriazolate MOF, Zn5(OAc)4(TBTT)2 (H3TBTT = 2,4,6-tris(1H-benzo[d][1,2,3]triazol-5-yl)-1,3,5-triazine), which exhibits open metal sites, high connectivity, porosity, and significant water uptake capacity. The MOF adopts previously unknown topology with...

This paper presents our vision of how to use in silico approaches extract the reaction mechanisms and kinetic parameters for complex condensed-phase chemical processes that underlie important technologies ranging from combustion vapor deposition. The goal is provide an analytic description detailed evolution a system reactants through various intermediates products, so one could optimize efficiency reactive produce desired products avoid unwanted side products. We start with quantum...

Molecular dynamics simulations require accurate force fields (FFs) to describe the physical and chemical properties of complex materials systems. FF parameters for valence interactions can be determined from high-quality Quantum Mechanical (QM) calculations. However, it has been challenging extract long-range nonbonded interaction potentials QM calculations since there is no unambiguous method separate total energy into electrostatics (polarization), van der Waals (vdW), other components....

CO, ethylene, and H2 demonstrate divergent adsorption enthalpies upon interaction with a series of anion-exchanged Ni2X2BTDD materials (X = OH, F, Cl, Br; H2BTDD bis(1H-1,2,3-triazolo[4,5-b][4',5'-i])dibenzo[1,4]dioxin)). The dissimilar responses these conventional π-acceptor gaseous ligands are in contrast the typical behavior that may be expected for gas sorption metal-organic frameworks (MOFs), which generally follows similar periodic trends given set systematic changes to host MOF...

Phosphane, PH3 -a highly pyrophoric and toxic gas-is frequently contaminated with H2 P2 H4 , which makes its handling even more dangerous. The inexpensive metal-organic framework (MOF) magnesium formate, α-[Mg(O2 CH)2 ], can adsorb up to 10 wt % of . -loaded MOF, @α-[Mg(O2 is a non-pyrophoric, recoverable material that allows brief in air, thereby minimizing the hazards associated transport phosphane. ] further plays critical role purifying from : at 25 °C, passes through MOF channels...

We describe the synthesis and properties of Zn3[(Zn4Cl)3(BTT)8]2 (ZnZnBTT, BTT3- = 1,3,5-benzenetristetrazolate), a heretofore unknown member well-known, extensive family metal-organic frameworks (MOFs) with general formula MII3[(MII4Cl)3(BTT)8]2, which adopts an anionic, sodalite-like structure. As previous members in this family, ZnZnBTT presents two crystallographically distinct metal cations: skeletal Zn2+ site, fixed within Zn4Cl(tetrazole)8 secondary building units (SBUs),...

Five-component icosahedral quasicrystals with compositions in the range Al68-73Fe11-16Cu10-12Cr1-4Ni1-2 were recently recovered after shocking metallic CuAl5 and (Mg0.75Fe0.25)2SiO4 olivine a stainless steel 304 chamber, intended to replicate natural shock that affected Khatyrka meteorite. The iron those might have originated either from reduction of Fe2+ or chamber. In this study, we clarify synthesis mechanism through two new recovery experiments. When Fe2+-bearing isolated Ta capsule, no...

Metal-organic frameworks have gained traction as leading materials for water sorption applications due to precise chemical tunability of their well-ordered pores. These include atmospheric capture, heat pumps, desiccation, desalination, humidity control, and thermal batteries. However, the relationships between framework pore structure measurable properties, namely critical relative condensation, maximal capacity, size or temperature onset hysteresis, not been clearly delineated. Herein, we...

Abstract The Khatyrka meteorite contains both icosahedral and decagonal quasicrystals. In our previous studies, quasicrystals have been synthesized recovered from shock experiments at the interface between CuAl 5 stainless steel 304 alloys. this study, we report a new recovery experiment aimed synthesizing similar to decagonite, natural Al 71 Ni 24 Fe . Aluminum 2024 permalloy 80 alloys were stacked together shocked in chamber. Abundant of average composition 73 19 4 Cu 2 Mg 0.6 Mo 0.4 Mn...