Structural and electronic properties of carbon nanoballs: C-20, C-60, and C-20@C-60

Erkoc S., Turker L.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, cilt.12, sa.9, ss.1391-1399, 2001 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 12 Sayı: 9
  • Basım Tarihi: 2001
  • Doi Numarası: 10.1142/s0129183101002760
  • Dergi Adı: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.1391-1399
  • Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

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.