Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide Searching for forms to organize atoms in two-dimensional lattices different from graphene has been an active field in nanocarbon science. One of the main motivations is to find monolayer materials with semiconducting properties in their pristine form, as in the example of graphenylene (GP). Here, we propose a graphyne sheet (containing both sp and sp 2 hybridized atoms) based on the fully- sp 2 GP lattice. We use computational simulations to investigate its stability and electronic properties. We further study nanotubes and nanoribbons based on this layer, showing that they form a family of semiconducting materials with tunable band gaps, and discuss the underlying mechanisms describing the relation between their physical properties and structural details.
Authors: João Guilherme Costa Miranda, Thainá Araújo Oliveira, Paloma Vieira Silva, Ramon Sampaio Ferreira, Eduardo Costa Girão
Institution: Universidade Federal do Piauí
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,500
Awards: G111024435, G4018780717, G680077407
OpenAlex ID: W4407338520