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• W2314598909 abstract "Based on the non-equilibrium Green's function formalism and spin-polarized density functional theory calculations, we investigate the spin transport properties of HDI and terahydrotetraazahexacene diimide (4H-TAHDI) with two ferromagnetic zigzag-edge graphene nanoribbon electrodes. Compared with HDI, four carbon atoms in the hexacene part of 4H-TAHDI are substituted by nitrogen atoms. The results show that the nitrogen substitution can improve significantly the spin-filtering performance and 4H-TAHDI can be used as a perfect spin filter. Our study indicates that suitable chemical substitution is a possible way to realize high-efficiency spin filters." @default.
• W2314598909 created "2016-06-24" @default.
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• W2314598909 date "2014-10-01" @default.
• W2314598909 modified "2023-09-27" @default.
• W2314598909 title "Perfect Spin-Filtering in 4H-TAHDI-Based Molecular Devices: the Effect of N-Substitution" @default.
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• W2314598909 doi "https://doi.org/10.1088/0256-307x/31/10/107302" @default.
• W2314598909 hasPublicationYear "2014" @default.
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