ELECTRONIC-ENERGY CALCULATION OF C-60 CLUSTERS

KATIRCIOGLU S., ERKOC S., HALICIOGLU T.

MATERIALS CHEMISTRY AND PHYSICS, vol.34, no.1, pp.78-80, 1993 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 34 Issue: 1
  • Publication Date: 1993
  • Doi Number: 10.1016/0254-0584(93)90124-5
  • Journal Name: MATERIALS CHEMISTRY AND PHYSICS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.78-80
  • Middle East Technical University Affiliated: Yes

Abstract

The ground-state total electronic energy of the Buckminsterfullerene (BF) and truncated dodecahedron (TD) models of C60 has been calculated using the empirical tight-binding (ETB) method. it was found that the BF model was energetically more stable than the TD model Of C60.