Lithium Adsorbtion on Polyacenes $\&$ Zig-zag-edge Graphene Strips
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arXiv
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| Format: | Preprint |
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2016
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| _version_ | 1866915602789040128 |
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| author | Ortiz, Yenni P. Klein, Douglas J. Seligman, Thomas H. |
| author_facet | Ortiz, Yenni P. Klein, Douglas J. Seligman, Thomas H. |
| 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_1603_09308 |
| institution | arXiv |
| publishDate | 2016 |
| record_format | arxiv |
| spellingShingle | Lithium Adsorbtion on Polyacenes $\&$ Zig-zag-edge Graphene Strips Ortiz, Yenni P. Klein, Douglas J. Seligman, Thomas H. Chemical Physics Computational Physics 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. |
| title | Lithium Adsorbtion on Polyacenes $\&$ Zig-zag-edge Graphene Strips |
| topic | Chemical Physics Computational Physics |
| url | https://arxiv.org/abs/1603.09308 |