H₂/CO₂ separations in multicomponent metal-adeninate MOFs with multiple chemically distinct pore environments

Abstract

Metal-organic frameworks constructed from multiple (≥ 3) components often exhibit dramatically increased structural complexity compared to their 2 component (1 metal, 1 linker) counterparts, such as multiple chemically unique pore...

Multivariate sodalite zeolitic imidazolate frameworks: a direct solvent-free synthesis

“…20 This versatility in both the metal and the ligand results in the modulation of properties such as the network exibility, which has shown to be fundamental for key properties, as in catalytic applications, 21,22 and indicates the possibility of ne-tuning the properties through a combination of ligands, 23 as reported in other families of MOFs. [24][25][26][27][28][29] However, other ligands that would normally form different structures are challenging to be incorporated into the SOD structure of ZIF-8 through a direct synthesis. In fact, the mixture of such ligands normally induces changes in the topology.…”

Chemistry-Encoded Convolutional Neural Networks for Predicting Gaseous Adsorption in Porous Materials

“…Metal–organic frameworks (MOFs) are an emerging class of materials that have been widely studied for a few decades. − Owing to their high porosity, large surface area, and selective adsorption, MOFs are considered among the most promising candidates for separation and storage applications including, but are not limited to, carbon capture and methane storage. − To date, tens of thousands of MOFs have been synthesized, while several orders of magnitude more have been predicted by enumerating possible metal clusters and organic ligands coupled with different topological nets. − Identifying promising candidates out of such a large space is therefore exceptionally challenging. While classical molecular simulations represent an important means toward the search of optimal materials, conducting an exhaustive computational screening in a brute-force manner is still resource-demanding.…”

Seed assisted synthesis of an anionic metal–organic framework membrane for selective and permeable hydrogen separation

“…19,20 In recent years, some MOF-based membranes have been assessed in the recovery of hydrogen. 10,21–54 For instance, the first MOF membrane of Cu 3 (BTC) 2 with open copper sites was fabricated for hydrogen separation. 21 Later on, ZIF-7 with a small pore aperture of 3.0 Å was synthesized for selective permeation of hydrogen from other gases.…”