نتایج جستجو برای: Al doping
تعداد نتایج: 467512 فیلتر نتایج به سال:
electrical sensitivity of a boron nitride nanotube (bnnt) was examined toward aniline (c6h5nh2) 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 aniline on the pristine nanotubes is a bout -19.03kcal/mol. but when nanotube has been doped with si and al atomes, the adsorption energy of aniline molecu...
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 ...
Samples of YBa2Cu3-xAgxOy with x=0, 0.1, 0.15, 0.2, 0.3 and samples of YBa2Cu3-xAlxOy with x=0, 0.01, 0.02, 0.03 and 0.045 are prepared by the sol-gel method. Structural and superconducting properties of samples are studied by electrical resistivity (R-T), X-ray diffraction (XRD) and scanning electron microscopy (SEM). All the samples show transition to superconducting state and the transitio...
In this research, the effects of Al&S doped on the HCN interaction with beryllium oxide nanotube (BeONTs) are investigated by using density functional theory at the cam-B3LYP/6-31G (d) level of theory. Inspection of computational results reveals that the adsorption energies of all considered models are in range of −1.39 to −31.84 Kcal/mol and exothermic in view of thermodynamic approach. Due to...
the doping reaction of truncated boron nitride and carbon nanotubes with aluminium atom wastheoretically investigated. the am1, pm3, and pm6 semiempirical methods have been used toevaluate the thermochemistry of doping reactions of single walled boron nitride nanotubes andcarbon nanotubes. the enthalpy changes, gibbs free energy changes, and entropy changes of studieddoping reactions were evalu...
A comprehensive study on the structural, electronic and nonlinear optical (NLO) properties of alumina nanostructures (Al2O3)n with n = 2-5 belonging to the groups III and VI dopants carried out by density functional theory. The NBO charges exhibit dopant atoms caused to the increasing charge transfer and introduces acceptor-donor model for NLO response of alumin...
We investigated whether Aluminum (Al) doping tunes band gap energy level as well as selective cytotoxicity of ZnO nanoparticles in human breast cancer cells (MCF-7). Pure and Al-doped ZnO nanoparticles were prepared by a simple sol-gel method. Characterization study confirmed the formation of single phase of Al(x)Zn(1-x)O nanocrystals with the size range of 33-55 nm. Al-doping increased the ban...
Undoped and Al-doped ZnO films were synthesized by atomic layer deposition at 150°C and then annealed at 350°C in different atmospheres. Effects of doping and annealing on the film growth mode and properties were investigated. The undoped film has strong UV emission and weak Zn interstitial emission. Annealing introduces O vacancies, decreases Zn interstitials, and results in weakening and blue...
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