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Endohedral terthiophene in zigzag carbon nanotubes: Density functional calculations

✍ Scribed by Orellana, W.; Vásquez, Sergio


Book ID
115522674
Publisher
The American Physical Society
Year
2006
Tongue
English
Weight
380 KB
Volume
74
Category
Article
ISSN
1098-0121

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We have performed density functional theory (DFT) calculations to investigate the properties of the electronic structure of the oxygen (O) terminated zigzag boron nitride nanotubes (BNNTs). To this end, the atoms of the tips of the representative (6, 0) BNNT are doped by the O atoms. Electric field