We performed a density functional theory investigation on the structural and electronic properties of pristine and nitrogen-doped TiO2/Graphene oxide nanocomposites as the adsorbents for the removal of toxic NO molecules in the environment. We presented the most stable adsorption configurations and examined the interaction of NO molecule with these doped and undoped nanocomposites. It turns out...

objective(s): adsorption of immucillin-a (bcx4430) molecule on the pristine and n-doped tio2 anatase nanoparticles were studied using the density functional theory (dft) calculations. the adsorption energy analysis indicated that tio2+immucillin-a complexes including oc-substituted tio2 have higher adsorption energy than the complexes with ot substituted tio2, thus providing more stable configu...

calcium doped nickel ferrite powders have been prepared by sol-gel combustion technique. metal nitrates, such as calcium nitrate, nickel nitrate and ferric nitrate, were used as the source materials and citric acid and polyvinyl alcohol were used as the burning agent and agglomeration reducing agent, respectively. the average crystallite size of the prepared ferrite was in the order of ~70- 92 ...

highly crystalline bi3+-doped cadmium oxide (cdo) sub-micron structures were synthesized by calcination the obtained precursor from a sol-gel reaction. the reaction was carried out with cadmium nitrate (cd(no3)2.4h2o), bismuth nitrate (bi(no3)3.5h2o) and ethylene glycol (c2h6o2) reactants without any additives at 80°c for 2h. resulting gel was calcined at 900 °c with increasing temperature rate...

the synthesis of nb doped batio3 has been investigated under microwave-hydrothermal (mh) conditions in the temperature of 150°c for only 2 h using c16h36o4ti, bah2o2.8h2o and nbcl5 as ba, ti and  nb sources, respectively.  typical experiments performed on mh processing have not yet reported for nb doped batio3.  in the mh process, the formation of high purity nano tetragonal nb-batio3 was stron...

Effects of d-doping on barriers effective heights and series resistance of highly doped n-type GaAs/AIAs/GaAs/AlAs/GaAs heterostructures, grown by molecular beam epitaxy (MBE) at 400?°C, have been studied. As it was expected, inclusion of an n+ d-doped layer at each hetero-interface has reduced the barriers heights and series resistance of the structure significantly, while p+ d-doped layers ha...

Adsorption of NO2 molecule on pristine and N-doped TiO2 anatase nanoparticles have been studied using the density functional theory (DFT) technique. The structural properties (such as bond lengths and bond angles) and the electronic properties (such as density of states, band structures and atomic partial charges) have been computed for considered nanoparticles. The result...

In this study, Eu-doped CdSe nanoparticles with variable Eu3+ content were synthesized by a simple sonochemical method. Eu3+ substitution into the structure of CdSe resulted in a material with new physical properties, composition and morphology. The synthesized nanoparticles were characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscop...

The antimicrobial effect of metal nanoparticles such as zinc oxide and silver nanoparticles has been taken into great consideration separately during recent years. The useful application of these nanoparticles in the areas of medicine, biotechnology, and professional prevention of microbes motivated us. The aim of this study was to evaluate antibacterial activity properties of silver doped zinc...