Work

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

Year: 2016

Type: preprint

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.

Source: arXiv (Cornell University)

DOI: 10.48550/arxiv.1603.09308

Authors: Ortiz, Yenni P., Klein, Douglas J., Seligman, Thomas H.

Institutions: Texas A&M University at Galveston, Universidad Nacional Autónoma de México

Language: English

Topic: Graphene research and applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funder: Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México

Award: G535000647

OpenAlex ID: W2334693610

Cites: 7

Cited by: 2

Related to: 20