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American Physical Society, Physical Review Letters, 18(88), 2002

DOI: 10.1103/physrevlett.88.185502

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Microscopic Formation Mechanism of Nanotube Peapods

Journal article published in 2002 by Savas Berber, Young-Kyun Kwon ORCID, David Tománek
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Using molecular dynamics calculations, we investigate the absorption of a C(60) molecule in a (10,10) nanotube either through the open end or a large defect in the tube wall as possible scenarios for the hierarchical self-assembly of (C(60))(n)@(10,10) "nano-peapods." We find the absorption through a defect to be significantly more efficient than the end-on absorption. This process occurs most likely within a narrow launch velocity range for the fullerene that agrees well with the observed optimum temperature window for peapod formation.