Adsorption dynamics and intrinsic mechanism of POPs on corrole-based COF: A computational study
Chaofeng Zhao, Lu Sun, Yuejie Ai, Weiwei Liu
Topics & Concepts
AdsorptionCorroleMoietyChemistryMoleculeMolecular dynamicsDensity functional theoryvan der Waals forceComputational chemistryNanotechnologyChemical physicsChemical engineeringOrganic chemistryMaterials scienceEngineeringCovalent Organic Framework ApplicationsMetal-Organic Frameworks: Synthesis and ApplicationsLuminescence and Fluorescent Materials