| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395326 | Computational and Theoretical Chemistry | 2011 | 5 Pages |
Abstract
We investigate the structural and electronic properties of KnC60 (n ⩽ 12) clusters in the framework of density-functional theory. The behavior of the potassium atoms over the C60 surface is analyzed. For K12C60, potassium atoms are found to form 4-atom islands on the surface. The charge transfer and the energetics are discussed in relation with available results.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Franck Rabilloud,