𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density functional study of zigzag BN nanotubes with equivalent ends

✍ Scribed by Mahmoud Mirzaei; Nasser L. Hadipour; Ahmad Seif; Masoud Giahi

Book ID
104085424
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
286 KB
Volume
40
Category
Article
ISSN
1386-9477

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

An electronic structure study of O-termi
An electronic structure study of O-terminated zigzag BN nanotubes: Density functional calculations of the quadrupole coupling constants
✍ 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

DFT studies of OH-functionalized open-en
DFT studies of OH-functionalized open-ended zigzag, armchair, and chiral single wall carbon nanotubes
✍ CheΕ‚mecka, E. ;Pasterny, K. ;Kupka, T. ;StobiΕ„ski, L. πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 514 KB

## Abstract The functionalization of single‐wall carbon nanotubes (SWCNTs) by attaching various molecules or molecular groups to the exterior walls or tips has attracted much attention, because it offers a possible way to modify their electronic, chemical, optical and mechanical properties. In this