Advanced Functional Materials · 2021 · 47 citations · 58 references
EngineeringChemistryMaterials ScienceMaterials ChemistryMembrane ScienceNanomaterialsGas Separation MembranesGraphene NanomaterialsMembrane FabricationMembrane MaterialsPolymer MembranesPorous MaterialsChemisorptionGas PermeationGas TransportGas Transport PropertiesGraphene NanoribbonsMetal-organic FrameworksPermeation EnhancementPore Architecture
Abstract Although the pore structures and gas transport properties of metal‐organic frameworks (MOFs) have been tuned mainly by modifying the framework building blocks, a pore‐tuned zeolitic imidazolate framework (ZIF)‐8 layer is directly grown on graphene oxide nanoribbons (GONR)‐treated polymer substrate. Oxygen‐containing functional groups and GONR dangling‐carbon bonds facilitated the spontaneous growth of ZIF‐8 oriented to the (100) grain on the GONR surface and also enhanced the rigidity by strongly anchoring the ZIF‐8 layer by metal‐carbon chemisorption. Gas permeation and molecular simulation results confirmed that the effective aperture size of ZIF‐8 is adjusted to 3.6 Å. As a result, ultrafast H 2 permeance of 7.6 × 10 −7 mol m −2 Pa s is achieved while blocking large hydrocarbon molecules. In particular, the membrane showed exceptionally enhanced hydrogen selectivity for the mixture separation than ideal selectivity, owing to the competitive transport between H 2 and large hydrocarbon molecules, and the separation performance surpassed those of ZIF membranes previously fabricated on polymeric supports.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17