Oxygen dissociation on nitrogen-doped single wall nanotube: A first-principles study
β Scribed by Bin Shan; Kyeongjae Cho
- Book ID
- 108109141
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 514 KB
- Volume
- 492
- Category
- Article
- ISSN
- 0009-2614
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We have performed first-principles calculation to investigate the adsorption of a single palladium atom on the surface of the pristine and boron-or nitrogen-doped carbon nanotubes (CNTs). The results show that for the adsorption of a single palladium atom on the pristine CNT surface, the most stable
## Abstract The nitrogen edgeβdoped effect on the structure, dipole moment, and first hyperpolarizability of the supershort singleβwalled carbon nanotube (5, 0) has been studied systematically. For the nitrogen edgeβdoped effect on the structure, the mean diameter on the nitrogenβdoped side (__D__~