The fundamental question of how chirality affects the electronic coupling of a nanotube to metal contacts is important for tile application of nanotubes as nanowires. We show that metallic-zigzag nanotubes are superior to armchair nanotubes as nanowires, by modeling the metal-nanotube interfacc. More specifically, we show that as a function of coupling strength, the total electron transmission ...

The measure or determination of uncertainty a system is known as entropy. After the rich idea entropy, it gains attraction and interest in graph theory, due to its applications applied mathematical chemistry. First time entropy was used 1955, know structural information chemical networks graphs. In chemistry, structures are build-up atoms/vertices bonds/edges. Carbon nanotubes also very famous ...

This study indicated that multi-walled carbon nanotubes (MWCNTs)-epoxy composites can be used as effective lightweight shielding materials. The measurement results showed that highest EMI SE of 23.4 dB at 8 GHz was obtained for nanocomposite with 1 wt% MWCNTs. Dielectric properties and electrical conductivity values were supplemented by microscopic studies.

Objective(s): The novel 7-hydroxycoumarinyl gallates derivatives are detected in many pharmaceutical compounds like anticancer and antimicrobial agents. Whereas carbon nanotubes (CNTs) have been discussed for nanomedicine applications and in particular as drug delivery systems. The capability of armchair (5, 5) SWCNT -based drug delivery system in the therapy of anticancer has been investigated...

The most common method used to fabricate carbon nanotubes is electric-arc discharge. An electric arc is an electrical breakdown of a gas which produces an ongoing plasma discharge, similar to the instant spark, resulting from a current flowing through normally nonconductive material such as air. The arc occurs in the gas-filled space between two conductive electrodes (often made of carbon) and ...

Stabilities and quantum molecular descriptors of cyclophoshphamide (an anticancer drug)-functionalized (8,0) zigzag and (4,4) armchair carbon nanotubes (CNTs) complexes in water were studied using density functional theory (DFT) calculations. Two attachments namely the sidewall- and tip-attachments are considered for the model constructions. Calculations of the total electronic energy (Et) and ...

– We propose a method to modulate the bandgaps in narrow-gap carbon nanotubes using a transverse electric field. Unlike previous investigations, we include curvature effects of the nanotubes by incorporating both πand σ-orbitals in our tight-binding calculations. The calculations show that the narrow curvature-induced bandgaps decrease quadratically with electric field amplitude to zero. As the...

We have used high-resolution transmission electron microscopy to resolve the @0001# projected basal plane structure and chirality relationships in boron nitride nanotubes. Evidence for tube growth along both ^101̄0& and ^112̄0& is found. Our results suggest that the ^112̄0& ~armchair! tubes form first. Subsequent growth can take the form of a ^101̄0& ~zig-zag! tube or additional armchair tubes. In ...

The structures of ideal armchair (5,5) single-wall carbon nanotubes (SWCNTs) of different lengths (3.7, 8.8, and 16.0 Å for C(40)H(20), C(80)H(20), and C(140)H(20)) and with 1-10 hydroxyl groups at the end of the nanotube were fully optimized at the B3LYP/3-21G level, and in some cases at the B3LYP/6-31G level, and the energy associated with the attachment of the OH substituent was determined. ...