Structural, mechanical, and electronic properties of single graphyne layers based on a 2D biphenylene network
Graphene is a promising material for the development of applications in nanoelectronic devices, but the lack of a band gap necessitates the search for ways to tune its electronic properties. In addition to doping, defects, and nanoribbons, a more radical alternative is the development of 2D forms wi...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-08-01
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| Series: | Carbon Trends |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667056925000562 |
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| author | Mateus Silva Rêgo Mário Rocha dos Santos Marcelo Lopes Pereira, Junior Eduardo Costa Girão Vincent Meunier Paloma Vieira Silva |
| author_facet | Mateus Silva Rêgo Mário Rocha dos Santos Marcelo Lopes Pereira, Junior Eduardo Costa Girão Vincent Meunier Paloma Vieira Silva |
| author_sort | Mateus Silva Rêgo |
| collection | DOAJ |
| description | Graphene is a promising material for the development of applications in nanoelectronic devices, but the lack of a band gap necessitates the search for ways to tune its electronic properties. In addition to doping, defects, and nanoribbons, a more radical alternative is the development of 2D forms with structures that are in clear departure from the honeycomb lattice, such as graphynes, with the distinctive property of involving carbon atoms with both hybridizations sp and sp2. The density and details of how the acetylenic links are distributed allow for a variety of electronic signatures. Here we propose a graphyne system based on the recently synthesized biphenylene monolayer. We demonstrate that this system features highly localized states with a spin-polarized semiconducting configuration. We study its stability and show that the system’s structural details directly influence its highly anisotropic electronic properties. Finally, we show that the symmetry of the frontier states can be further tuned by modulating the size of the acetylenic chains forming the system. |
| format | Article |
| id | doaj-art-e7cb77874773419a89aa045b8a8655dc |
| institution | OA Journals |
| issn | 2667-0569 |
| language | English |
| publishDate | 2025-08-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Carbon Trends |
| spelling | doaj-art-e7cb77874773419a89aa045b8a8655dc2025-08-20T02:20:09ZengElsevierCarbon Trends2667-05692025-08-012010050610.1016/j.cartre.2025.100506Structural, mechanical, and electronic properties of single graphyne layers based on a 2D biphenylene networkMateus Silva Rêgo0Mário Rocha dos Santos1Marcelo Lopes Pereira, Junior2Eduardo Costa Girão3Vincent Meunier4Paloma Vieira Silva5Departamento de Física, Universidade Federal do Piauí, CEP 64049-550, Teresina, Piauí, BrazilDepartamento de Física, Universidade Federal do Piauí, CEP 64049-550, Teresina, Piauí, BrazilUniversity of Brasília, College of Technology, Department of Electrical Engineering, Brasília, BrazilDepartamento de Física, Universidade Federal do Piauí, CEP 64049-550, Teresina, Piauí, Brazil; Corresponding author.Department of Engineering Science and Mechanics, Pennsylvania State University, State College, PA, USADepartamento de Física, Universidade Federal do Piauí, CEP 64049-550, Teresina, Piauí, BrazilGraphene is a promising material for the development of applications in nanoelectronic devices, but the lack of a band gap necessitates the search for ways to tune its electronic properties. In addition to doping, defects, and nanoribbons, a more radical alternative is the development of 2D forms with structures that are in clear departure from the honeycomb lattice, such as graphynes, with the distinctive property of involving carbon atoms with both hybridizations sp and sp2. The density and details of how the acetylenic links are distributed allow for a variety of electronic signatures. Here we propose a graphyne system based on the recently synthesized biphenylene monolayer. We demonstrate that this system features highly localized states with a spin-polarized semiconducting configuration. We study its stability and show that the system’s structural details directly influence its highly anisotropic electronic properties. Finally, we show that the symmetry of the frontier states can be further tuned by modulating the size of the acetylenic chains forming the system.http://www.sciencedirect.com/science/article/pii/S2667056925000562GraphynesBiphenylene sheetLocal magnetic momentSemiconductor |
| spellingShingle | Mateus Silva Rêgo Mário Rocha dos Santos Marcelo Lopes Pereira, Junior Eduardo Costa Girão Vincent Meunier Paloma Vieira Silva Structural, mechanical, and electronic properties of single graphyne layers based on a 2D biphenylene network Carbon Trends Graphynes Biphenylene sheet Local magnetic moment Semiconductor |
| title | Structural, mechanical, and electronic properties of single graphyne layers based on a 2D biphenylene network |
| title_full | Structural, mechanical, and electronic properties of single graphyne layers based on a 2D biphenylene network |
| title_fullStr | Structural, mechanical, and electronic properties of single graphyne layers based on a 2D biphenylene network |
| title_full_unstemmed | Structural, mechanical, and electronic properties of single graphyne layers based on a 2D biphenylene network |
| title_short | Structural, mechanical, and electronic properties of single graphyne layers based on a 2D biphenylene network |
| title_sort | structural mechanical and electronic properties of single graphyne layers based on a 2d biphenylene network |
| topic | Graphynes Biphenylene sheet Local magnetic moment Semiconductor |
| url | http://www.sciencedirect.com/science/article/pii/S2667056925000562 |
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