Stability of C-60 chains: molecular dynamics simulations

Date

2005-01-01

Author

Malcıoğlu, Osman Barış
Erkoc, MS

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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

Citation Formats

O. B. Malcıoğlu and M. Erkoc, “Stability of C-60 chains: molecular dynamics simulations,” JOURNAL OF MOLECULAR GRAPHICS & MODELLING, vol. 23, no. 4, pp. 367–371, 2005, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/36086.