Structural and molecular electronic properties of B-N ring doped single-wall carbon nanotubes

Date

2005-08-01

Author

Malcıoğlu, Osman Barış
Erkoc, A

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Various molecular electronic properties of boron-nitride nanotube ring doped four different single-wall carbon nanotubes are investigated theoretically by performing self-consistent-field molecular-orbital semi-empirical and density functional theory calculations. Results are compared with corresponding carbon nanotubes. It is seen that polar nature of the boron-nitride nanotube ring lead to a spontaneous polarization, an electrostatic potential barrier occurs in metallic carbon nanotube models, and these models may be obtained exothermically from carbon nanotubes.

Subject Keywords

Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, Condensed Matter Physics

URI

https://hdl.handle.net/11511/35272

Journal

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

DOI

https://doi.org/10.1016/j.physe.2005.03.023

Collections

Department of Physics, Article

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Citation Formats

O. B. Malcıoğlu and A. Erkoc, “Structural and molecular electronic properties of B-N ring doped single-wall carbon nanotubes,” PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, pp. 296–308, 2005, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/35272.