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Electron transport properties of boron-doped capped-carbon-nanotube-based molecular junctions
- Zhao, Peng, Liu, DeSheng
- Chinese science bulletin 2010 v.55 no.36 pp. 4104-4107
- behavioral resistance, boron, carbon nanotubes, electron transfer
- Using the Landauer formalism that combines both the non-equilibrium Green’s function and first-principles density functional theory, the electron transport properties of a one-dimensional molecular junction based on capped carbon nanotubes with boron doping at various sites are investigated. The results show that the electron transport properties are strongly dependent on the boron-doping site. Negative differential resistance behavior can be observed when boron-atom dopants are present in the tip region.