ESI_C6CC05303C.pdf (8.19 MB)
Download fileUnidirectional Transit of Zeolite Channel Openings
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posted on 2016-07-27, 14:33 authored by gloria tabacchigloria tabacchi, ettore fois, gion calzaferriElectronic Supplementary Information (ESI) for the article:
One-Dimensional Self-Assembly of Perylene-Diimide Dyes by Unidirectional Transit of Zeolite Channel OpeningsPublished in:
ChemComm 2016, DOI: 10.1039/C6CC05303C
A popular summary and a blog post explaining this paper can be found at the links below
Funding
Italian MIUR: FIRB “ImPACT” (RBFR12CLQD); INFOCHEM project PRIN 2010CX2TLM_006. Insubria FAR 2014. CINECA (Bologna, Italy) - ISCRA computing grant (“DENARI” HP10B6JTDP)
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Keywords
zeoliteshybrid compositescomposite materialsmaterials sciencenanosciencenanotechnologynanocompositesorganic-inorganicdye-zeolite compositeschromophoresdiffusion processesporous materialscomputational modelsdensity functional theoryfirst-principles molecular dynamicsmodeling and simulationsmetadynamicsunidirectional motionmolecular vibrationsreticular vibrationscrystal vibrationsinterface effectsencapsulation processinclusion processperylene-diimidesperylene bisimide unitscompositesluminescentphoto-excitedartificial photosynthesissolar energy applicationsbiomedical applicationsfunctional materialsnanoporous materialszeolite channelszeolite frameworktransitmolecular encapsulationinclusionhost-guest materialshost-guest compositeshost-guest interactionsChemical Sciences not elsewhere classifiedChemical Thermodynamics and EnergeticsColloid and Surface ChemistryComputational ChemistryInorganic Chemistry not elsewhere classifiedMacromolecular and Materials Chemistry not elsewhere classifiedMolecular PhysicsNanochemistry and Supramolecular ChemistryOrganic Chemistry not elsewhere classifiedPhysical Chemistry of MaterialsPhysical Chemistry not elsewhere classifiedPhysical Organic ChemistryQuantum ChemistrySolid State ChemistrySupramolecular ChemistryTransport Properties and Non-equilibrium ProcessesTheory and Design of MaterialsTheoretical and Computational Chemistry not elsewhere classifiedSynthesis of MaterialsMolecular and Organic ElectronicsNanofabrication, Growth and Self AssemblyNanoelectronicsNanobiotechnologyNanomaterialsNanomanufacturingNanomedicineNanophotonicsNanoscale CharacterisationNanotechnology not elsewhere classifiedNanotoxicology, Health and SafetyComputational PhysicsComplex Physical SystemsCondensed Matter Modelling and Density Functional TheoryCondensed Matter PhysicsCondensed Matter Physics not elsewhere classifiedOptical Physics not elsewhere classifiedSurfaces and Structural Properties of Condensed Matter
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