Computer simulation of supported C 60 fullerenes fragmentation by particle beam

Computer simulation of supported C 60 fullerenes fragmentation by particle beam

The computer simulation of the particle beam (electrons, one charged H and Li ions) induced fragmentation of C 60 fullerenes supported by MgO surface was carried out. In particular, we have developed the Monte Carlo simulation of the nuclear and electronic energy loses using the standard CASINO and...

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Bibliographic Details
Published in:Carbon (New York) Vol. 42; no. 5; pp. 987 - 990
Main Authors: Makarets, M.V., Prylutskyy, Yu.I., Ogloblya, O.V., Carta-Abelmann, L., Scharff, P.
Format: Journal Article
Language:English
Published: Elsevier Ltd 2004
Subjects:
A. Fullerene
B. Implantation
C. Computational chemistry
D. Defects
Modelling
B. Implantation
C. Computational chemistry
Modelling
D. Defects
A. Fullerene
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Summary:The computer simulation of the particle beam (electrons, one charged H and Li ions) induced fragmentation of C 60 fullerenes supported by MgO surface was carried out. In particular, we have developed the Monte Carlo simulation of the nuclear and electronic energy loses using the standard CASINO and TRIM packages for random targets. The radiation-induced defects generation, atomic excitation and ionization processes in the C 60 fullerene were calculated using the several interatomic potentials and electron loses approaches.
ISSN:0008-6223
1873-3891
DOI:10.1016/j.carbon.2003.12.013