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| Main Authors: | , , |
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| Format: | Preprint |
| Published: |
2016
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/1603.09308 |
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Table of Contents:
- 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.