Electronic properties of two-dimensional rectangular graphyne based on phenyl-like building blocks

Autor: Anderson Gomes Vieira, Marcelo Lopes Pereira, Júnior, Vincent Meunier, Eduardo Costa Girão
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: Carbon Trends, Vol 16, Iss , Pp 100395- (2024)
Druh dokumentu: article
ISSN: 2667-0569
DOI: 10.1016/j.cartre.2024.100395
Popis: A rectangular graphyne sheet is composed of units similar to phenyl rings that are linked by acetylenic chains, as in hexagonal γ-graphyne. This system is organized over a rectangular lattice similar to that of the recently synthesized biphenylene network. We investigate the stability of this layered material from different perspectives and study its electronic structure. Rectangular graphyne is a semiconducting system in its pristine form. It features a pair of highly localized states. These characteristics are correlated with the structural anisotropy of the system, since its frontier states behave like quasi-1D states embedded in the 2D lattice. We further consider modified systems in which longer acetylenic links are introduced. We discuss how a strategic choice of the position of these longer bridges leads to specific changes of the electronic structure of the rectangular graphyne sheet.
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