Mechanisms behind high CO2/CH4 selectivity using ZIF-8 metal organic frameworks with encapsulated ionic liquids: A computational study

High propene/propane selectivity in isostructural metal-organic frameworks with high densities of open metal sites.

Crystalline metal–organic frameworks (MOFs) have attracted great attention in the past decade due to their modular, tailorable structures, as well as their potential in applications such as gas storage and separations. Open metal sites in some MOFs provide special adsorption sites, which are favorable for H2 storage, [4] CO2 capture, [5] and CO2 separations. Propene is an important commercial p...

High-throughput computational screening of metal-organic frameworks.

There is an almost unlimited number of metal-organic frameworks (MOFs). This creates exciting opportunities but also poses a problem: how do we quickly find the best MOFs for a given application? Molecular simulations have advanced sufficiently that many MOF properties - especially structural and gas adsorption properties - can be predicted computationally, and molecular modeling techniques are...

Interactions between Organic Compounds and Ionic Liquids. Selectivity and Capacity Characteristics of Ionic Liquids

Structure-directing effects of ionic liquids in the ionothermal synthesis of metal–organic frameworks

Traditional synthesis of metal-organic frameworks (MOFs) involves the reaction of a metal-containing precursor with an organic linker in an organic solvent at an elevated temperature, in what is termed a 'solvothermal' reaction. More recently, many examples have been reported of MOF synthesis in ionic liquids (ILs), rather than an organic solvent, in 'ionothermal' reactions. The high concentrat...

A family of metal-organic frameworks exhibiting size-selective catalysis with encapsulated noble-metal nanoparticles.

The encapsulation of noble-metal nanoparticles (NPs) in metal-organic frameworks (MOFs) with carboxylic acid ligands, the most extensive branch of the MOF family, gives NP/MOF composites that exhibit excellent shape-selective catalytic performance in olefin hydrogenation, aqueous reaction in the reduction of 4-nitrophenol, and faster molecular diffusion in CO oxidation. The strategy of using fu...