Research Article
Cerium-Doped Endohedral Fullerene: A Density-Functional Theory Study
Table 1
A comparison between the Ce and some other metal-doped fullerene is presented.
| Metal C60 | Metal-C (Å) | Double C–C (Å) | Single C–C (Å) | Energy gap (eV) |
| Ce | 2.52 | 1.4115 | 1.467 | 0.2 | Po | | 1.4 | 1.455 | 1.09 | Be | | 1.3943 | 1.4626 | 1.25 | Ca | | 1.4082 | 1.465 | 0.5 | Ni | 1.805 | 1.43 | 1.46 | |
|
|