Nuclear Magnetic Resonance Parameters of Pure and Diborinin-Doped (6,0) Single-Walled Zigzag BNNT: DFT Study
A computational study on the basis of density functional theory (DFT) calculations has been performed to investigate the properties of the electronic structure of (6,0) zigzag boron nitride nanotubes and two models ((a) and (b)) of diborinin-doped boron nitride nanotubes (DBD-BNNTs). The calculated...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2013-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2013/421091 |
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