In the present study, four materials based on boron nitride nanotubes—namely pristine BNNT, C-doped tetrapeptide/BNNT, and tetrapeptide/C-doped BNNT—were examined to evaluate adsorption of organophosphorus pesticides chlorpyrifos fenitrothion. Through a quantum chemical approach molecular electronic structures, impacts C doping tetrapeptide modification nanotubes are clarified. The results reve...

Carbon nanotubes are of great interest for their ability to functionalize with atoms adsorbing toxic gases such as CO, NO, and NO2. Here, we use density functional theory in conjunction dispersion correction examine the encapsulation adsorption efficacy SO2 H2S molecules by a (14,0) carbon nanotube its substitutionally doped form Ru. Exoergic energies calculated pristine nanotubes. The interact...

Nitrogen-doped carbon materials, including nitrogen-doped carbon nanotubes (NCNTs) and nitrogen-doped graphene (NG), have attracted increasing attention for oxygen reduction reaction (ORR) in metal-air batteries and fuel cell applications, due to their optimal properties including excellent electronic conductivity, 4e transfer and superb mechanical properties. Here, the recent progress of NCNTs...

We demonstrate wide-band ultrafast optical pulse generation at 1, 1.5, and 2 μm using a single-polymer composite saturable absorber based on double-wall carbon nanotubes (DWNTs). The freestanding optical quality polymer composite is prepared from nanotubes dispersed in water with poly(vinyl alcohol) as the host matrix. The composite is then integrated into ytterbium-, erbium-, and thulium-doped...

The electronic properties of carbon nanotubes (NTs) in a uniform transverse field are investigated within a single orbital tight-binding (TB) model. For doped nanotubes, the dielectric function is found to depend not only on symmetry of the tube, but also on radius and Fermi level position. Band gap opening/closing is predicted for zigzag tubes, while it is found that armchair tubes always rema...

We describe an approach for controlling electrostatic barriers in molecular electronics devices which uses anisotropic dielectric material to modify the analytic form of the effective electrostatic interactions within the device. We study the one-dimensional geometry relevant to interfaces between carbon nanotubes and find that the bound charge induced in a uniaxial dielectric can replace the b...

Nitrogen-doped carbon nanotubes (CNx)/carbon nanotube intramolecular junctions were prepared by a simple continuous chemical vapour deposition (CVD) method at 650 °C. The catalyst was obtained by calcination of a layered double hydroxide precursor containing Fe and Mg. By switching between hexane and ethylenediamine repeatedly in the CVD process, multiple intramolecular junctions composed of CN...

Pt nanoparticles (NPs) with the average size of 3.14 nm well dispersed on N-doped carbon nanotubes (CNTs) without any pretreatment have been demonstrated. Structural properties show the characteristic N bonding within CNTs, which provide the good support for uniform distribution of Pt NPs. In electrochemical characteristics, N-doped CNTs covered with Pt NPs show superior current density due to ...

We performed tight-binding calculation of the electronic properties of carbon nanotubes in a perpendicular electric field. Within the linear response limit, the dielectric function of a doped carbon nanotube is found to depend not only on its symmetry, but also on the Fermi level position and tube radius. Upon increasing the field, the mixing of neighboring subbands results in metal-semiconduct...