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Electronic structure of oxygen-terminated zigzag graphene nanoribbons: A hybrid density functional theory study

✍ Scribed by Ramasubramaniam, Ashwin

Book ID
120328369
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
656 KB
Volume
81
Category
Article
ISSN
1098-0121

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✍ Maryam Mirzaei; Mahmoud Mirzaei πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 348 KB

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