Chemistry of Materials · 2008 · 45 citations · 44 references
Natural SciencesChemistryMaterials ScienceMaterials ChemistryNanomaterialsPolymer ChemistryCarbon NanomaterialsCarbon NanotubesComposite MaterialsNanocompositesNanotubesPolymer-matrix CompositesCarbon NanocompositesCarbon Nanotube Composite MaterialsCarbon Nanotube CompositesCarbon Nanotube NanocompositesCoordinationIn Situ PolymerizationLigand Electron DonationNanotube Functionalization
In this work, we achieved the production of pristine multiwalled carbon nanotube (MWCNT)/polyethylene (PE) composites composed of uniformly dispersed, PE-coated MWCNT strands, by the in situ polymerization of ethylene with Cp 2 ZrCl 2 immobilized onto the sidewalls of pristine MWCNTs as a catalyst. The prepared composites showed a highly increased Young’s modulus (359%) as compared to homopolyethylene, due to well-dispersed pristine MWCNTs in the PE matrices. Electronic interactions and binding modes between zirconocenes and CNTs were investigated by theoretical and experimental methods, and both methods indicated that the sidewalls of CNTs could form a coordination bond with the positively charged active species and act as a ligand with strong electron donation.
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Density-functional thermochemistry. III. The role of exact exchange
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