Synthesis of high-performance polycrystalline metal-organic framework membranes at room temperature in a few minutes

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Tailoring the interfacial sites between metals and metal oxides can be an essential tool in designing heterogeneous catalysts. These interfacial sites play a vital role in many renewable applications, for instance, catalytic CO2 reduction. Postsynthesis de ...

We study the oxo-hexametallate Li7TaO6 with first-principles and classical molecular dynamics simulations, obtaining a low activation barrier for diffusion of similar to 0.29 eV and a high ionic conductivity of 5.7 x 10(-4) S cm(-1) at room temperature (30 ...

Understanding how crystalline materials are assembled is important for the rational design of metal-organic frameworks (MOFs). Controlling their formation can allow researchers to streamline the synthesis of new materials as well as control their propertie ...

Metal-organic frameworks (MOFs) offer great promise in a variety of gas- and liquid-phase separations. However, the excellent performance on the lab scale hardly translates into pilot- or industrial-scale applications due to the microcrystalline nature of ...

We present force fields developed from periodic density functional theory (DFT) calculations that can be used in classical molecular simulations to model M MOF-74 (M = Co, Fe, Mg, Mn, Ni, Zn) and its extended linker analogs. Our force fields are based on c ...

Metal-Organic Frameworks (MOFs) are a class of porous materials that are applicable in many energy and environmentally relevant areas, due to their unique features including unprecedented internal surface areas and easy chemical tunability. Gas separation ...

Metal organic frameworks or MOFs have witnessed a phenomenal rise owing to a highly tunable synthetic chemistry allowing flexibility in the selection of its constituents, namely metal nodes and linkers. Combined with their superior adsorption and diffusion ...

The electrochemical reduction of CO2 to ethylene provides a carbon-neutral avenue for the conversion of CO2 to value-added fuels and feedstocks, so contributing to the storage of intermittent renewable electricity. The exploration of efficient electrocatal ...

We numerically investigate the conversion of solar energy into chemical energy by integrated photo-electrochemical (IPEC) devices and assess their response to time-dependent changes in the boundary conditions and the material properties. We focus on a devi ...

Iron(II) cage complexes with terminal 4-pyridyl groups can be incorporated in metal-organic frameworks (MOFs) via solvent-assisted ligand exchange (SALE). Paddle -wheeled MOFs with N,N'-di-4-pyridylnaphthalenete-tracarboxydiimide pillars were used as start ...

Metal-organic frameworks are of interest in a number of host-guest applications. However, their weak coordination bonding often leads to instability in aqueous environments, particularly at extreme pH, and hence, is a challenging topic in the field. In thi ...

Synthesis of high-performance polycrystalline metal-organic framework membranes at room temperature in a few minutes

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The solid-state Li-ion conductor Li7TaO6: A combined computational and experimental study

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