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Structural and electronic properties of carbon nanoballs: C-20, C-60, and C-20@C-60
Date
2001-11-01
Author
Erkoç, Şakir
Turker, L
Metadata
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This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
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The structural stability of carbon nanoballs (fullerenes) C-20, C-60, and onion type C-20@C-60 has been investigated by performing molecular-dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that C-20 is relatively resistive to heat treatment, however, the onion type structure is relatively less strong against heat treatment. The electronic structure of the systems considered has been also studied by performing density functional theory type calculations.
Subject Keywords
Molecular dynamics
,
Density functional theory
,
Carbon nanoballs
,
Empirical potential
URI
https://hdl.handle.net/11511/56489
Journal
INTERNATIONAL JOURNAL OF MODERN PHYSICS C
DOI
https://doi.org/10.1142/s0129183101002760
Collections
Department of Physics, Article