Endohedal fullerenes C60 and C82 with silver
| dc.creator | Gurin, V. S. | |
| dc.date | 2004-11-22 | |
| dc.date.accessioned | 2026-07-07T03:02:16Z | |
| dc.date.available | 2026-07-07T03:02:16Z | |
| dc.description | The models of endofullerenes C60 and C82 with silver atom or diatomic silver are calculated with ab initio SCF Hartree-Fock methods including the full geometry optimization. Ag@C60 is a bound system with positive binding energy while Ag2@C60 is not because strong geometrical strain. Silver atom is located at some distance from the cage center in the lower-energy model, and the structure reduces the symmetry. The endo-structures with the C82 cage can exist with both mono- and diatomic silver. Electronic charge transfer in all structures occurs from the carbon cage to silver. | |
| dc.description | 8 pages, 2 figures | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0411566 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0411566 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/25339 | |
| dc.subject | Materials Science | |
| dc.title | Endohedal fullerenes C60 and C82 with silver | |
| dc.type | text |