| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5358639 | Applied Surface Science | 2011 | 6 Pages |
Abstract
⺠The encapsulated Con clusters inside C60 (Ih) and C82 (C2v) cages, except Co7@C60, are energetically favorable. ⺠The encapsulation does not change significantly the structure of the enclosed clusters. ⺠The magnetic moment of the encapsulated clusters reduces due to a stronger Co-C hybridization for the larger clusters. ⺠It is found that for all complexes, additional peaks contributed by the Con atomic orbitals appear in the HOMO-LUMO gap (Eg) of the host fullerene.
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Authors
M. Bezi Javan, N. Tajabor, M. Rezaee-Roknabadi, M. Behdani,