The geometric structures, electronic and magnetic properties of Mn-doped ZnO nanowires were investigated using density functional theory. The results indicated that all the calculated energy differences were negative, and the energy of the ground state was 0.229 eV lower than ferromagnetic coupling, which show higher stability in antiferromagnetic coupling. The calculated results indicated that...

We will develop rapid screening tools to measure wastewater composition and correlate bulk composition measures to nitrification inhibition. Initially, we will focus on metals (cadmium, zinc, nickel and copper, which have been implicated in nitrification inhibition, moderate to high toxicity to nitrifying microorganisms. Prior to the start of the monitoring study, we will optimize and validate ...

The present study aims to identify the impact of polluted aquatic body i.e. River Hindon on two selected riparian flora i.e. Azadirachta indica and Acacia nilotica. During the course of study the average concentration of different metals in river water was found as Iron (Fe) 11.27ppm±3.50, Manganese (Mn) 4.00ppm±1.26, Cadmium (Cd) 0.08ppm±0.07, Nickel (Ni) 0.63ppm±0.17 and Zinc (Zn) 1.46ppm±0.3...

Undoped and Mn-doped ZnO nanoparticles were successfully prepared by the hydrothermal method with different annealing temperature conditions. Structural, chemical and optical properties of the samples were studied by X-ray diffraction (XRD), Field Emission scanning electron microscopy (FESEM), UV-Vis spectrophotometry and Fourier transform infrared (FT-IR) spectroscopy. The phase purity was con...

We present results of a density functional theory study of MnO in the wurtzite structure. Our motivation is provided by recent experiments reporting ferromagnetism in Mn-doped wurtzite-structure ZnO. We find that wurtzite MnO a) is not strongly energetically disfavored compared with the ground state rocksalt MnO, b) shows strong magneto-structural coupling and c) has a piezoelectric response th...

Mn-doped GaAs is studied with a real-space Hamiltonian on an fcc lattice that reproduces the valence bands of undoped GaAs. Large-scale Monte Carlo (MC) simulations on a Cray XT3, using up to a thousand nodes, were needed. Spin-orbit interaction and the random distribution of the Mn ions are considered. The hopping amplitudes are functions of the GaAs Luttinger parameters. At the realistic coup...

Cadmium is a major environmental toxicant that is released into the atmosphere, water and soil in the form of cadmium oxide, cadmium chloride, or cadmium sulfide via industrial activities, such as the manufacturing of batteries and pigments, metal smelting and refining and municipal waste incineration. In the present study, we investigated the effects of cadmium exposure on sperm quality parame...

Mn-doped diluted magnetic semiconductors are important semiconductor materials and have received much attention due to their application in magnetooptics, spintronics, displays, and lasers. The authors present the magnetic properties of Mn-doped PbSe nanocrystals (NCs) based on electron paramagnetic resonance and superconducting quantum interference device measurements, demonstrating that the e...

The Mn ion is a promising activator ion for tunable and short-pulse laser materials because of its broadband luminescence in the spectral region 850-1600 nm and its simple 3d electronic configuration, which excludes an occurrence of undesirable exited-state absorption into higher 3d levels. However, hexavalent manganese can be stabilized only in the tetrahedral oxo-coordination and easily reduc...

To what extent the presence of transition metal ions can affect the optical properties of structurally well-defined, metal-doped polyoxotitanium (POT) cages is a key question in respect to how closely these species model technologically important metal-doped TiO2. This also has direct implications to the potential applications of these organically-soluble inorganic cages as photocatalytic redox...