| Autor: |
Ortiz, Yenni P., Klein, Douglas J., Seligman, Thomas H. |
| Rok vydání: |
2016 |
| Předmět: |
|
| Druh dokumentu: |
Working Paper |
| Popis: |
The effect of increased electron-density (from adsorbed Li atoms) in polyacenes and in nano-ribbons with zig-zag edge is discussed in terms of resonance theoretical considerations and in terms edge-localized frontier molecular orbitals. The argumentation from simple pictures is finally using the density functional theory (DFT) for anthracene, polyacene polymer and graphene strips. Some discussion is made for zig-zag edge graphene. |
| Databáze: |
arXiv |
| Externí odkaz: |
|
