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Dr. Hai-Bei Li, Dr. Alister J. Page, Prof. Dr. Stephan Irle and Prof. Dr. Keiji Morokuma Theoretical Insights into Chirality-Controlled SWCNT Growth from a Cycloparaphenylene Template ChemPhysChem 13

Version of Record online: 5 MAR 2012 | DOI: 10.1002/cphc.201200055

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Exquisite control: A self-assembled, C2H-radical-mediated low-temperature SWCNT formation mechanism starting from an organic [6]CPP template is proposed based on nonequilibrium QM/MD simulations (see picture). This bottom-up organic approach may potentially yield chirality- and diameter-controlled SWCNT growth.

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