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Boron and Nitrogen Doped Single walled Carbon Nanotubes as Possible Dilute Magnetic Semiconductors
The structure of single walled armchair and zig-zag carbon nanotubes having 70 atoms and two carbons replaced by boron or nitrogen is obtained at minium energy using HF/6-31G* molecular orbital theory. The calculations show that the ground state of the zig-zag tubes is a triplet state while for the...
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Springer
2007
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| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3246596/ https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11671-007-9082-4 |
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