نتایج جستجو برای: doped nanotubes
تعداد نتایج: 76037 فیلتر نتایج به سال:
In this paper by using DC arc discharge method and acetylene gas, as the carbon source, and nitrogen, as the carrier gas, canrbon nanotubes, CNTs, doped with trivalent element boron, B, have been produced. The deposited CNTs on the cathod electrod, which have structural doped properties to boron element, have been collected and after purification have been investigated by back-scattering Raman...
electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward (c3h4) molecule by using density functional theory (dft) calculations at the b3lyp/6-31g (d) level, and it was found that the adsorption energy (ead) of methylacetylene (c3h4) the pristine nanotubes is a bout -1.78kcal/mol. but when nanotube have been doped with si and al atomes, the adsorption energy of methylacetyle...
electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward hydroquinone (c6h4(oh)2) molecule by using density functional theory (dft) calculations at the b3lyp/6-31g(d) level, and it was found that the adsorption energy (ead) of hydroquinone on the pristine nanotube is a bout -7.77kcal/mol. but when nanotubes have been doped with si and al atomes, the adsorption energy of hy...
abstract: electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward ethyl acetylene (c4h6) molecule by using density functional theory (dft) calculations at the b3lyp/6-31g (d) level, and it was found that the adsorption energy (ead) of ethyl acetylene the pristine nanotubes is about -1.60kcal/mol. but when nanotube has been doped with si and al atoms, the adsorption energy ...
Density functional theory (DFT) computations of the electronic structures of undoped, B- and N-doped CNT(3,3), CNT(5,5) carbon nanotubes, and graphene with adsorbed chromate anions CrO42- were performed within molecular cluster approach. Relaxed geometries, binding energies, charge differences of the adsorbed CrO42- anions, and electronic wave function contour plots were calculated using B3LYP ...
Graphene is an allotrope of carbon apart from graphite, diamond, fullerene and carbon nanotubes. Because graphene has unique mechanical, structural, thermal and electrochemical properties and can present the stability characteristics of these features, it becomes two-dimensional (2-d) materials which can alter three-dimensional (3-d) carbon nanotubes composite materials and has important resear...
Doping with other elements is one of the efficient ways to modify the physical and chemical properties of TiO2 nanomaterials. In the present work, Ni-doped TiO2 nanotubes were fabricated through anodic oxidation of NiTi alloy and further annealing treatment. The hydrogen sensing properties of the nanotube sensor were investigated. It was found that the Ni-doped TiO2 nanotubes were sensitive to ...
The electronic structures of carbon nanotubes doped with oxygen dimers are studied using the ab initio pseudopotential density functional method. The fundamental energy gap of zigzag semiconducting nanotubes exhibits a strong dependence on both the concentration and configuration of oxygen-dimer defects that substitute for carbon atoms in the tubes and on the tube chiral index. For a certain ty...
electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward c2h5oh molecules by using density functional theory (dft) calculations . it was founding that the adsorption energy(ead) of ethanol on the pristine nanotubes is about -51.5 kj / mol, but when the nanotube has been doped with si and al atoms , the adsorption and recovery time changed and the sensitivity of nano...
The importance of the oxygen reduction reaction (ORR) in fuel cells and high energy density metal-air batteries has attracted intense research interests in looking for low-cost ORR catalysts as substitutes for expensive and scarce Pt-based catalysts. N-doped graphene and carbon nanotubes prepared in a low-cost and scalable way have demonstrated their potential although the performance still nee...
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