Journal of Materials Chemistry A · 2023 · 46 citations · 42 references
Natural SciencesChemistryMaterials ScienceCatalysisOrganic ChemistrySupramolecular ChemistryMolecular Orbital TheoryOrientation EffectsPhotocatalysisPhotochemistryPhotoelectrochemical MaterialsPhotoelectrochemistryCharge SeparationCovalent Organic FrameworksExciton DelocalizationExciton DissociationHydrogen EvolutionHydrogen Evolution CatalystsPhotocatalyst DesignPhotocatalytic Materials
The N-atom orientation of imine bonds towards the acceptor in COFs may induce local charge polarization and delocalization, which could fundamentally improve the exciton dissociation and charge separation, thus achieving the promoted photocatalytic H 2 evolution.
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VMD: Visual molecular dynamics
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Multiwfn: A multifunctional wavefunction analyzer
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