Microscopic formation mechanism of nanotube peapods.
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.
Berber
Savas
S
Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1116, USA.
Kwon
Young-Kyun
YK
Tománek
David
D