Density functional theory study on electrical properties of graphyne propane under tension and compression deformation
Based on the first-principles of density functional theory, this paper systematically studied the effect of tensile and compression deformation on the electrical properties of graphyne. The study show that the graphyne has an direct and adjustable band gap under deformation. Under uniaxial deformati...
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| Principais autores: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
IOP Publishing
2020-01-01
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| coleção: | Materials Research Express |
| Assuntos: | |
| Acesso em linha: | https://doi.org/10.1088/2053-1591/ab6375 |
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