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Codoping of Potassium and Bromine in Carbon Nanotubes: A Density Functional Theory Study |
| XIAO Yang1;YAN Xiao-Hong2;DING Jian-Wen1 |
| 1Department of Physics and Laboratory of Low Dimensional Materials and Application Technology of Ministry of Education, Xiangtan University, Xiangtan 4111052College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 |
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| Cite this article: |
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XIAO Yang, YAN Xiao-Hong, DING Jian-Wen 2007 Chin. Phys. Lett. 24 3506-3508 |
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Abstract We investigate the co-doping of potassium and bromine in single-walled carbon nanotubes (SWCNTs) and double-walled carbon nanotubes (DWCNTs) based on density functional theory. In the co-doped (6,0) SWCNTs, the
4s electron of potassium is transferred to nanotube and Br, leading to the n-type feature of SWCNTs. When potassium is intercalated into inner tube and bromine is put on outer tube, the positive and negative charges reside on the outer and inner tubes of the (7,0)@(16,0) DWCNT, respectively. It is expected that DWCNTs would be an ideal candidate for p--n junction and diode applications.
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| Keywords:
73.22.-f
71.20.Tx
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Received: 06 March 2007
Published: 03 December 2007
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| PACS: |
73.22.-f
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(Electronic structure of nanoscale materials and related systems)
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71.20.Tx
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(Fullerenes and related materials; intercalation compounds)
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