Structural stability of carbon nanocapsules: Molecular-dynamics simulations

Malcıoğlu, Osman Barış
Tanriverdi, V
Yilmaz, A
Erkoc, S
Structural stability of empty and endohedrally doped carbon nanocapsules have 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 empty carbon nanocapsules are relatively more stable with respect to endohedrally doped ones against heat treatment.
Citation Formats
O. B. Malcıoğlu, V. Tanriverdi, A. Yilmaz, and S. Erkoc, “Structural stability of carbon nanocapsules: Molecular-dynamics simulations,” Belek-Antalya, TURKEY, 2003, vol. 169, Accessed: 00, 2020. [Online]. Available: