Modulation of electrical performance of zigzag edged tetra-penta-octagonal graphene nanoribbons based devices via boundary passivations
Recently, an sp2hybridized planar two-dimensional graphene-based carbon allotrope composed of tetra-penta-octagonal rings has attracted considerable interest. The electronic structures and transport properties of zigzag-edged tetra-penta-octagonal-graphene nanoribbons (TPO-ZGNRs) modified via bounda...
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| Autores principales: | , , , , , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
Elsevier
2021
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/19aef8da2d204e16a9ddadb0f6cd21d9 |
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| Sumario: | Recently, an sp2hybridized planar two-dimensional graphene-based carbon allotrope composed of tetra-penta-octagonal rings has attracted considerable interest. The electronic structures and transport properties of zigzag-edged tetra-penta-octagonal-graphene nanoribbons (TPO-ZGNRs) modified via boundary passivation were investigated using density functional theory and the non-equilibrium Green’s function. TPO-ZGNRs were passivated with H, 2H, O, OH, and Cl on the edge to produce TPO-ZGNRs-X (X=H, 2H, O, OH, and Cl). TPO-ZGNRs-H exhibits metallic properties regardless of the nanoribbon width and exists in the non-magnetic state. Although TPO-ZGNRs-OH and TPO-ZGNRs-Cl remain metallic, TPO-ZGNRs-2H and TPO-ZGNRs-O are semiconductors. In addition, the current–voltage curves of three TPO-ZGNRs-X (X=H, OH, and Cl) homojunction device models contain a negative differential resistance region. Notably, the heterojunction device model in which TPO-ZGNRs are passivated with H and O atoms at different edge regions has negative differential resistance and rectification characteristics. This study is expected to facilitate the development of new carbon materials. |
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