Electronic transport properties of capped-carbon-nanotube-based molecular junctions with multiple N and B dopants |
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| Authors: | Peng Zhao DeSheng Liu |
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| Institution: | 1. School of Physics and Technology, University of Jinan, Jinan, 250022, China
2. State Key Laboratory of Crystal Materials, School of Physics, Shandong University, Jinan, 250100, China
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| Abstract: | By applying non-equilibrium Green’s function in combination with density functional theory,we investigated the electronic transport properties of capped-carbon-nanotube-based molecular junctions with multiple N and B dopants.The results show that the electronic transport properties are strongly dependent on the numbers and positions of N and B dopants.Best rectifying behavior is observed in the case with one N and one B dopants,and it is deteriorated strongly with the increasing dopants.The rectifying direction is even reversed with the change of doping positions.Moreover,obvious negative differential resistance behavior at very low bias is observed in some doping cases. |
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| Keywords: | carbon nanotube rectifying negative differential resistance non-equilibrium Green function density functional theory |
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