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Microscopic mechanism of fullerene fusion

Title
Microscopic mechanism of fullerene fusion
Authors
Han S.Yoon M.Berber S.Park N.Osawa E.Ihm J.Tomanek D.
Ewha Authors
한승우
Issue Date
2004
Journal Title
Physical Review B - Condensed Matter and Materials Physics
ISSN
0163-1829JCR Link
Citation
Physical Review B - Condensed Matter and Materials Physics vol. 70, no. 11, pp. 113402 - 1-113402-4
Indexed
SCOPUS WOS scopus
Document Type
Article
Abstract
Combining total energy calculations with a search of phase space, we investigate the microscopic fusion mechanism of C60 fullerenes. We find that the (2 + 2) cycloaddition reaction, a necessary precursor for fullerene fusion, may be accelerated inside a nanotube. Fusion occurs along the minimum energy path as a finite sequence of Stone-Wales transformations, determined by a graphical search program. Search of the phase space using the "string method" indicates that Stone-Wales transformations are multistep processes, and provides detailed information about the transition states and activation barriers associated with fusion.
DOI
10.1103/PhysRevB.70.113402
Appears in Collections:
자연과학대학 > 물리학전공 > Journal papers
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