Effect of Steam-Treatment Time on the Length and Structure of Single-Walled and Double-Walled Carbon Nanotubes
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چکیده
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Single - Walled 4 . Single - Walled Carbon Nanotubes
Single-walled carbon nanotubes (SWCNTs) are hollow, long cylinders with extremely large aspect ratios, made of one atomic sheet of carbon atoms in a honeycomb lattice. They possess extraordinary thermal, mechanical, and electrical properties and are considered as one of the most promising nanomaterials for applications and basic research. This chapter describes the structural, electronic, vibra...
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ONIOM calculation is carried out to estimate the acidity of five aliphatic alcohols before and after adsorbing on the tip of (8,0) single-walled carbon nanotube. The ONIOM method is performed using a combination of density functional theory and AM1 semiemperical method for alcohols and their corresponding conjugated bases. Deprotonation Gibbs free energies of alcohols are calculated and compare...
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15 صفحه اولinvestigation of the electronic properties of carbon and iii-v nanotubes
boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...
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ژورنال
عنوان ژورنال: ChemNanoMat
سال: 2015
ISSN: 2199-692X
DOI: 10.1002/cnma.201500207