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Kim, Sung Youb
Computational Advanced Nanomechanics (CAN) Lab
Research Interests
  • Computational Mechanics
  • Nanomechanics
  • Molecular Dynamics
  • FEM

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Adatom-assisted structural transformations of fullerenes

Cited 27 times inthomson ciCited 17 times inthomson ci
Title
Adatom-assisted structural transformations of fullerenes
Author
Lee, In-H0Jun, SukkyKim, HanchulKim, Sung Youb
Keywords
Dynamic pathways; Graphitic networks; Stone-Wales transformation; Structural transformations
Issue Date
2006-01
Publisher
AMER INST PHYSICS
Citation
APPLIED PHYSICS LETTERS, v.88, no.1, pp.011913 -
Abstract
Microscopic mechanism of autocatalytic structural transformations of fullerenes is investigated by the action-derived molecular dynamics. Dynamic pathways and the corresponding activation energies are obtained for the Stone-Wales transformation in fullerene and the fullerene coalescence, under the presence of extra carbon atoms. The adatom-assisted Stone-Wales transformation is proved to be a highly probable process unit for the structural transformations and annealing treatments of carbon-based graphitic networks. The complex processes of adatom-assisted fullerene coalescence, yielding very low activation energies, are presented.
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DOI
10.1063/1.2161175
ISSN
0003-6951
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