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Silicon Carbide Nanotubes Functionalized by Transition Metal Atoms: A Density-Functional Study

✍ Scribed by Zhao, J.-x.; Ding, Y.-h.


Book ID
118276091
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
635 KB
Volume
112
Category
Article
ISSN
1932-7447

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## Abstract We present a first principles calculation on the electronic structure and optical properties of ultrasmall‐diameter (2,2) boron nitride, silicon carbide, and carbon nanotubes (BNNT, SiCNT, and CNT) by using full potential linear augmented plane wave (FP‐LAPW) and pseudo potential plane