The adsorption of the H2S molecule on the undoped and N-doped TiO2 anatase supported Au nanoparticles were studied using density functional theory calculations. The adsorption of H2S on both Au and TiO2 sides of the nanoparticle was examined. On the TiO2 side, the fivefold coordinated titanium site was found to be the most favorable binding site, giving rise to the strong interaction of H2S wit...

Suspensions of Cu nanoparticles are promising for creating the new class of alternative antimicrobial products. In this study we examined copper nanoparticles of various sizes obtained by the method of wire electric explosion: nanopowder average size 50 nm (Cu 50) and 100 nm (Cu 100). The paper presents the complex study of the influence of physicochemical properties such as particle size and c...

Manipulating electronic and magnetic properties of two-dimensional (2D) transitional-metal dichalcogenides (TMDs) MX2 by doping has raised a lot of attention recently. By performing the first-principles calculations, we have investigated the structural, electronic, and magnetic properties of transitional metal (TM)-doped MoS2 at low and high impurity concentrations. Our calculation result indic...

Alloying or doping Pd may be an option for overcoming sulfur poisoning. The current investigation probes the mechanism associated with sulfur binding to determine if Nb and Cu are appropriate doping metals. In this study, the effect of doping Pd with Cu or Nb on the binding strength of H(2) and H(2)S was investigated using plane-wave density functional theory-based electronic structure calculat...

Cu doped CdS nanophosphors were fabricated through Langmuir-Blodgett route for the first time. Precursors mixed Langmuir-Blodgett multilayers of cadmium arachidate-copper arachidate were used to grow doped sulfide nanoparticles within the organic matrix through postdeposition treatment with H(2)S gas. Changes in composition and layered structure of precursor multilayers were studied using Fouri...

In this work, two bioactive glass powders (SBA2 and SBA3) were doped with Cu by means of the ion-exchange technique in aqueous solution. SBA2 glass was subjected to the ion-exchange process by using different Cu salts (copper(II) nitrate, chloride, acetate, and sulphate) and concentrations. Structural (X-ray diffraction-XRD), morphological (Scanning Electron Microscopy-SEM), and compositional (...

Vertical arrays of single walled carbon nanotubes (VA-SWNTs) were grown using bi-metallic nanoparticle pro-catalysts. Iron oxide particles were doped with varying quantities of first row transition metals (Mn, Co, Ni, and Cu) for a comparative study of the growth of nanotubes. VA-CNT samples were verified using scanning electron microscopy, and characterized using resonance Raman spectroscopy. ...

A new route was recently proposed to modify some spectroscopic properties of rare-earth ions in silica-based fibers. We had shown the incorporation of erbium ions in amorphous dielectric nanoparticles, grown in fiber preforms. Here we present the achieved stabilization of nanometric erbium-doped dielectric nanoparticles within the core of silica fibers. We present the nanoparticle dimensional c...

Electronic structures of doped NaTaO3 compounds are of significant interest to visible light photocatalysis. This work involves the study of the band gap, band edge potentials, and thermodynamic stability of certain mono-doped and co-doped NaTaO3 systems, using DFT-PBE as well as hybrid (PBE0) functional calculations. Doping of certain non-magnetic cations (Ti, V, Cu, Zn, W, In, Sn, Sb, Ce, and...

We have investigated the contributions of CuO planes and CuO chains on the transport properties of YBa Cu O by 2 2 4 8 Ž . Ž . measuring the electrical resistivity and thermoelectric power S of Y Pr Ba Cu Zn O , Y Ca Ba Cu O and 1yx x 2 1yy y 4 8 1yx x 2 4 8 Ž . YBa Cu Ga O . Pr reduces the mobile carrier concentration in the CuO planes in YBa Cu O , as a consequence, the 2 1yx x 4 8 2 2 4 8 Ž ...