Adatom-assisted structural transformations of fullerenes | Zendy

In−Ho Lee | Zendy; Sukky Jun | Zendy; Hanchul Kim | Zendy; Sung Youb Kim | Zendy; Youngmin Lee | Zendy

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Adatom-assisted structural transformations of fullerenes

Author(s) -

In−Ho Lee,

Sukky Jun,

Hanchul Kim,

Sung Youb Kim,

Youngmin Lee

Publication year - 2006

Publication title -

applied physics letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.182

H-Index - 442

eISSN - 1077-3118

pISSN - 0003-6951

DOI - 10.1063/1.2161175

Subject(s) - fullerene , coalescence (physics) , chemical physics , annealing (glass) , materials science , autocatalysis , molecular dynamics , nanotechnology , chemistry , computational chemistry , physics , catalysis , biochemistry , organic chemistry , astrobiology , composite material

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.open271

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