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- W4386016601 abstract "In this paper, a topological insulation GNR (graphene nanoribbon) with metallicity model is constructed by introducing a pair of Zero-modes with equal jumping parameters into the GNR. This paper calculates the electronic properties of the model based on density functional theory and regulates its metallicity. Studies have shown that GNR with Zero-mode shows metallic characteristics. The formation of two new C–C bonds in each GNR unit breaks the binary symmetry of GNR and widens its metal bandwidth. Among them, the more stable the C–C bonds introduced, the more conducive to widening the metal bandwidth. The distance of the newly added C–C bonds in the supercell can change the length of the potential barrier and potential well, thus affecting the metallicities. The introduction of N-N bonds made the polarization loss of the sublattice further aggravated and widens the metal bandwidth of GNR." @default.
- W4386016601 created "2023-08-21" @default.
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- W4386016601 date "2023-11-01" @default.
- W4386016601 modified "2023-10-02" @default.
- W4386016601 title "First-principles study of Zero-mode superlattices inducing the metallicity of the graphene nanoribbons" @default.
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- W4386016601 doi "https://doi.org/10.1016/j.mseb.2023.116785" @default.
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