The rectifying effect of heterojunctions composed of carbon and boron nitride nanotubes |
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| Affiliation: | 1. College of Physics and Materials Science & International United Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang, 453007, China;2. Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI, 48109, USA;3. School of Chemistry and Chemical Engineering & International United Henan Key Laboratory of Boron Chemistry and Advanced Energy Materials, Henan Normal University, Xinxiang, 453007, China;1. Department of Physics, De La Salle University, 2401 Taft Avenue, Manila 0922, Philippines;2. De La Salle University-Science and Technology Complex, Biñan, Laguna, Philippines;3. Computational Materials Design Research Unit, CENSER, De La Salle University, 2401 Taft Avenue, Manila 0922, Philippines;4. Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños, Laguna, Philippines;5. Centre for Advanced 2D Materials and Graphene Research Center, National University of Singapore, Block S16, Level 6, 6 Science Drive 2, 117546 Singapore;6. Institute of Industrial Science, The University of Tokyo, Meguro-ku, Tokyo 153-8505, Japan;7. National Institute of Technology, Akashi, Japan;1. Laboratoire des Sciences des Procédés et des Matériaux, CNRS, LSPM – UPR 3407, Université Paris 13, PRES Sorbonne-Paris-Cité, Villetaneuse, 93430, France;2. Department of Chemical Engineering, University of Chemical Technology and Metallurgy, 8 St. Kl. Ohridsky Blvd, 1756 Sofia, Bulgaria;3. Centre des Recherches et des Technologies de l''Energie, Technopole Borj Cédria, B.P N°95, 2050, Hammam Lif, Tunisia;1. State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, PR China;2. University of the Chinese Academy of Sciences, Beijing 10004, PR China;3. State Key Laboratory of Gansu Advanced Non-ferrous Metal Materials, Department of Materials Science and Engineering, Lanzhou University of Technology, Lanzhou 73005, PR China;1. Department of Physics, Al Al-Bayt University, Al-Mafraq, 130040, Jordan;2. Department of Physical Sciences, Jordan University of Science and Technology, P.O. Box 3030, Irbid, 22110, Jordan;3. Department of General Sciences, Prince Sultan University, Riyadh, 11586, Saudi Arabia |
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| Abstract: | We investigate the electronic transport properties of several nanotube heterojunctions which are composed of carbon and boron nitride nanotubes (i.e., CNTs and BNNTs), using the non-equilibrium Green's function method combined with the density functional theory. The results reveal that, the pristine (n, n) and (n, 0) CNTs are metal and present the linear I–V curves, and the BNNTs are semiconductors and little current can be propagated through. While when the (n, n)CNT and (n, n)BNNT are combined into a heterojunction, it displays a perfect rectifying effect. When different types of CNTs (i.e., (n, 0) and (n, n) CNTs) are combined into a heterojunction, its I–V curve still presents a linear behavior. Interestingly, however, if the outside surface of the (n, n) CNT is fluorinated to tune its electronic structures, it will display a perfect rectifying effect. These proposed nanotube heterojunctions have a significant potential value in the field of nano rectifiers. |
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| Keywords: | Density-functional theory Non-equilibrium Green's function Electronic transport Rectifying effect Nano rectifier Nanotube heterojunction |
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