Precision pore engineering <i>via</i> fit-topology assembly in a Zn-porphyrin MOF for selective C <sub>2</sub> H <sub>2</sub> capture
Zhenliang Zhu, Jianfei Xiao, Min Zhang, Yaoqi Huang, Shaojun Yuan
Abstract
). Computational studies attribute the selectivity to confinement-enhanced van der Waals interactions and electrostatic alignment at the porphyrin-Zn interface and methyl-decorated channels. This work establishes a topology-driven pore engineering strategy for PMOFs, advancing the design of next-generation adsorbents for challenging gas separations.
Topics & Concepts
van der Waals forceMaterials scienceAdsorptionStructural rigidityNanotechnologyRigidity (electromagnetism)SelectivityMetal-organic frameworkRational designChemical engineeringPorphyrinChemical physicsInterface (matter)ChemistryElectrostaticsMolecular dynamicsWork (physics)Self-assemblyMoleculeTopology (electrical circuits)Computer scienceScience, technology and societyMonolayerInteraction energyHoneycombMetal-Organic Frameworks: Synthesis and ApplicationsNanoporous metals and alloysCatalytic Processes in Materials Science