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Density functional studies of oxygen-terminations versus hydrogen-terminations in carbon and silicon nanotubes

✍ Scribed by Mahmoud Mirzaei; Mohammad Yousefi; Masoumeh Meskinfam

Book ID
113914418
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
346 KB
Volume
14
Category
Article
ISSN
1293-2558

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Density functional theory study of ultra
Density functional theory study of ultrasmall diameter (2,2) boron nitride, silicon carbide, and carbon nanotubes
✍ Davoud Vahedi Fakhrabad; Tayebeh Movlarooy; Nasser Shahtahmassebi πŸ“‚ Article πŸ“… 2012 πŸ› John Wiley and Sons 🌐 English βš– 651 KB

## 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