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.
@article{arxiv.1603.09308,
title = {Lithium Adsorbtion on Polyacenes $\&$ Zig-zag-edge Graphene Strips},
author = {Yenni P. Ortiz and Douglas J. Klein and Thomas H. Seligman},
journal= {arXiv preprint arXiv:1603.09308},
year = {2025}
}