Structural and Electronic Properties of Impurities on Boron Nitride Nanotube
Gabrielle P. Soares, Silvete Guerini
DOI: 10.4236/jmp.2011.28102   PDF   HTML     6,748 Downloads   12,857 Views   Citations


The structural and electronic properties of molybdenum and magnesium substitution doping in (10,0) boron nitride nanotube (BNNT), are investigated through first-principle calculations. The electronic band structures results indicate that the molybdenum doped systems behave as n-type impurity. However, the magnesium doped systems behave as p-type impurity when magnesium replaces boron, and as a n-type impurity when the magnesium replaces nitrogen. The analysis of the energies formation shows that the molybdenum replacing a boron and nitrogen atoms are more favorable than the magnesium substitution in boron and nitrogen.

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G. Soares and S. Guerini, "Structural and Electronic Properties of Impurities on Boron Nitride Nanotube," Journal of Modern Physics, Vol. 2 No. 8, 2011, pp. 857-863. doi: 10.4236/jmp.2011.28102.

Conflicts of Interest

The authors declare no conflicts of interest.


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