the effect of impurities on quantum chemical parameters of single-walled nanotubes (swnts) was studied using density functional theory (dft). the density of states (dos), fermi energy and thermodynamic energies of (5,5) carbon nanotubes were calculated in the presence of nitrogen impurity. it was found that this nanotube remains metallic after being doped with one nitrogen atom. the partial den...

Fe-doped LiNbO₃ synthesized by the combustion method to seek new multiferroic materials exhibits room-temperature ferromagnetism, as reported in our previous work [1]. In this work, the defect structure of congruent and Fe-doped LiNbO₃ (0.57-3.3 mol %) powders was investigated in detail by several methods. The molar ratio of [Li]/([Li]+[Nb]) was determined by the Curie temperature (Tc) via DSC....

In this research, we studied the structure, properties and NMR parameters of interaction F2 gas with pristine and 3C-doped (8, 0) zigzag models of boron phosphide nanotubes (BPNTs). in order to reach these aims, we considered four different configurations for adsorption of F2gas on the outer and inner surfaces of BPNTs. The structures of all models were optimized by using density functional the...

conclusions according to the results, it can be concluded that the titanium catalyst doped with iron (fe+3-tio2) processes is an appropriate method for reducing atrazine in polluted water resources. results the results demonstrated that the atrazine removal rate increased by decreasing the initial atrazine concentration and the maximum rate of atrazine removal (41.72%) was at ph = 11, atrazine ...

Metal-doped zinc oxide (ZnO) nanorod arrays have attracted much attention due to improvement in their electrical, structural, and optical properties upon doping. In this chapter, we discuss the effects of aluminum (Al)and iron (Fe)-doping on ZnO nanorod arrays properties particularly for humidity sensor applications. Compared to Fe, Al shows more promising characteristics as doping element for ...

The geometrical structures and field emission properties of pristine and N-doped capped (5,5) single-walled carbon nanotubes have been investigated using first-principles density-functional theory. The structures of N-doped carbon nanotubes are stable under field emission conditions. The calculated work function of N-doped carbon nanotube decreases drastically when compared with pristine carbon...

Cobalt hydrate and doped binary Co0.9M0.1OOH (M = Ni, Mn, Fe) nanorings of 100-300 nm were fabricated in solution through a facile ambient oxidation method. A transformation from Co0.9Ni0.1(OH)2 nanodiscs to hollow Co0.9Ni0.1OOH nanorings was observed with prolonged reaction time. Core-shell nanodiscs have elemental segregation with a Co(OH)2 core and Ni(OH)2 shell. Co0.9Ni0.1OOH nanorings disp...

The use of carbon nanotubes for field effect nanoelectronic devices, which has been recently demonstrated, motivates further studies of electrochemical and chemical analogues of nanotube molecular transistors. However, chemical gating is not applicable for modern electronics due to its slow response. Herein we propose a novel molecular electronic device: Nanotube LightControlled Switch (NLCS). ...

Nonlinear absorption at 1.064 and 1.535 microm wavelengths by two photon and free carrier absorption processes in undoped and Fe doped InP has been investigated. Using picosecond and nanosecond duration lasers, a self-consistent set of the two photon and free carrier absorption coefficients are experimentally obtained through nonlinear transmission measurements for the first time. Reduced carri...