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Stability of C-60 chains: molecular dynamics simulations
Date
2005-01-01
Author
Malcıoğlu, Osman Barış
Erkoc, MS
Metadata
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This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
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A linearly aligned structure of three C-60 fullerene, interconnected by two benzorods of same size, have been investigated under heat treatment. The overall structure resembles a section of a beaded string. Nine different lengths of benzorods have been considered, and the effect on the thermal stability have been investigated by means of molecular dynamics method. It has been found that the structure is thermally stable up to elevated temperatures, and the linear alignment of the structure is persistent, up to the temperature of decomposition.
Subject Keywords
Benzorod
,
Fullerene
,
Molecular-dynamics
,
Empirical potential
URI
https://hdl.handle.net/11511/36086
Journal
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
DOI
https://doi.org/10.1016/j.jmgm.2004.11.002
Collections
Department of Physics, Article