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arXiv · 1603.09308

Lithium Adsorbtion on Polyacenes $\&$ Zig-zag-edge Graphene Strips

Yenni P. Ortiz·Douglas J. Klein·Thomas H. Seligman
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Abstract

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.

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Yenni P. Ortiz, Douglas J. Klein, Thomas H. Seligman. 2016-02-23. Lithium Adsorbtion on Polyacenes $\&$ Zig-zag-edge Graphene Strips. https://arxiv.org/abs/1603.09308

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