Oriented film and pattern of TCNQ@Cu 3 (BTC) 2 (HKUST-1) fabricated via epitaxial growth exhibit anisotropic electrical properties toward MOF-based (flexible) thin-film smart device applications, such as transistors thermoelectric thin films.

Porous solids with organized multiple porosity are of scientific and technological importance for broadening the application range from traditional areas of catalysis and adsorption/separation to drug release and biomedical imaging. Synthesis of crystalline porous materials offering a network of uniform micro- and mesopores remains a major scientific challenge. One strategy is based on variatio...

An active learning protocol is introduced to sequentially build surrogate models for predicting gas adsorption. The method shown work methane and carbon dioxide adsorption in Cu–BTC MOF isotherms pressure–temperature phase space.

We report a strategy for realizing tunable electrical conductivity in metal-organic frameworks (MOFs) in which the nanopores are infiltrated with redox-active, conjugated guest molecules. This approach is demonstrated using thin-film devices of the MOF Cu3(BTC)2 (also known as HKUST-1; BTC, benzene-1,3,5-tricarboxylic acid) infiltrated with the molecule 7,7,8,8-tetracyanoquinododimethane (TCNQ)...

Nine new coordination polymers: [Cu3(ipO),(pyz)2](5), [Cu3(ipO)2(4-phpy)(H2O)2](6), [Cu(ip)(4-phpy)2] (7), [Cu3(ipO)2(H2O)2](8), [Co(phen)(ip)(H2O)](9), [Co3(1,2,3-btc)2(4,4'-bpy)2(H2O)2].2H2O(10), [Ni(1,2,3-btcH)(4,4'-bpy)(H2O)].H2O(11), [Cd5(1,2,3-btc),(1,2,3-btcH)2(4,4'-bpy)3(H2O)2] (12) and (1,2,3-btcH3)(4,4'-bpy) (13)(1,2,3-btcH3 = 1,2,3-benzenetricarboxylic acid, ipO = 2-hydroxyisophthala...

We use Monte Carlo simulations to study the adsorption and separation of the natural gas components in IRMOF-1 and Cu-BTC metal-organic frameworks. We computed the adsorption isotherms of pure components, binary, and five-component mixtures analyzing the siting of the molecules in the structure for the different loadings. The bulk compositions studied for the mixtures were 50 : 50 and 90 : 10 f...