Adatom-assisted structural transformations of fullerenes
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- Adatom-assisted structural transformations of fullerenes
- Lee, In-H0; Jun, Sukky; Kim, Hanchul; Kim, Sung Youb
- Dynamic pathways; Graphitic networks; Stone-Wales transformation; Structural transformations
- Issue Date
- AMER INST PHYSICS
- APPLIED PHYSICS LETTERS, v.88, no.1, pp.011913 -
- 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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