Microwave-assisted hydrothermal synthesis of Ag2(W(1-x)Mox)O4 heterostructures: Nucleation of Ag, morphology, and photoluminescence properties.

Ag2W(1-x)MoxO4 (x=0.0 and 0.50) powders were synthesized by the co-precipitation (drop-by-drop) method and processed using a microwave-assisted hydrothermal method. We report the real-time in situ formation and growth of Ag filaments on the Ag2W(1-x)MoxO4 crystals using an accelerated electron beam under high vacuum. Various techniques were used to evaluate the influence of the network-former substitution on the structural and optical properties, including photoluminescence (PL) emission, of these materials. X-ray diffraction results confirmed the phases obtained by the synthesis methods. Raman spectroscopy revealed significant changes in local order-disorder as a function of the network-former substitution. Field-emission scanning electron microscopy was used to determine the shape as well as dimensions of the Ag2W(1-x)MoxO4 heterostructures. The PL spectra showed that the PL-emission intensities of Ag2W(1-x)MoxO4 were greater than those of pure Ag2WO4, probably because of the increase of intermediary energy levels within the band gap of the Ag2W(1-x)MoxO4 heterostructures, as evidenced by the decrease in the band-gap values measured by ultraviolet-visible spectroscopy.

Direct in situ observation of the electron-driven synthesis of Ag filaments on α-Ag2WO4 crystals.

In this letter, we report, for the first time, the real-time in situ nucleation and growth of Ag filaments on α-Ag2WO4 crystals driven by an accelerated electron beam from an electronic microscope under high vacuum. We employed several techniques to characterise the material in depth. By using these techniques combined with first-principles modelling based on density functional theory, a mechanism for the Ag filament formation followed by a subsequent growth process from the nano- to micro-scale was proposed. In general, we have shown that an accelerated electron beam from an electronic microscope under high vacuum enables in situ visualisation of Ag filaments with subnanometer resolution and offers great potential for addressing many fundamental issues in materials science, chemistry, physics and other fields of science.

Towards an insight on photodamage in hair fibre by UV-light: An experimental and theoretical study.

OBJECTIVES: In this research, an experimental and theoretical study was conducted to design a photodegradation mechanism of the amino acid tryptophan (Trp) in hair fibres. METHODS: For the experimental research, Caucasian hair fibres were exposed to several different solar radiation simulation periods. Then, Trp and its photoproducts (N-formylkynurenine and kynurenine) were assayed by excitation and emission spectroscopic analysis. RESULTS: For the theoretical study, reactions involved in the photodegradation of Trp were evaluated by high-level quantum mechanical calculations in a density functional theory (DFT) framework which indicate a probable Trp degradation mechanism with a minimum expended energy pathway. CONCLUSION: The biochemistry concerning these reactions is essentially important for a biological system where the degradation of Trp occurs.

Influence of structural disorder on the photoluminescence emission of PZT powders.

Intense and broad visible photoluminescent (PL) band was observed at room temperature in disordered Pb(Zr0.53Ti0.47)O3 powders. Structural order-disorder was evaluated by different methods. XANES results pointed to the presence of different coordination modes of disordered Ti powders, and in the ordered sample the local structure around titanium atoms is characteristic of the structurally ordered PZT with only TiO6 units. Only samples containing simultaneous structural order and disorder in their network present the intense visible PL emission at room temperature.

Electronic and structural properties of the (1010) and (1120) ZnO surfaces.

The structural and electronic properties of ZnO (1010) and (1120) surfaces were investigated by means of density functional theory applied to periodic calculations at B3LYP level. The stability and relaxation effects for both surfaces were analyzed. The electronic and energy band properties were discussed on the basis of band structure as well as density of states. There is a significant relaxation in the (1010) as compared to the (1120) terminated surfaces. The calculated direct gap is 3.09, 2.85, and 3.09 eV for bulk, (1010), and (1120) surfaces, respectively. The band structures for both surfaces are very similar.

Toward an understanding of intermediate- and short-range defects in ZnO single crystals. A combined experimental and theoretical study.

A joint use of experimental and theoretical techniques allows us to understand the key role of intermediate- and short-range defects in the structural and electronic properties of ZnO single crystals obtained by means of both conventional hydrothermal and microwave-hydrothermal synthesis methods. X-ray diffraction, Raman spectra, photoluminescence, scanning electronic and transmission electron microscopies were used to characterize the thermal properties, crystalline and optical features of the obtained nano and microwires ZnO structures. In addition, these properties were further investigated by means of two periodic models, crystalline and disordered ZnO wurtzite structure, and first principles calculations based on density functional theory at the B3LYP level. The theoretical results indicate that the key factor controlling the electronic behavior can be associated with a symmetry breaking process, creating localized electronic levels above the valence band.

Charge density alterations in human hair fibers: an investigation using electrostatic force microscopy.

A new method for high-resolution analyses of hair surface charge density under ambient conditions is presented in this paper. Electrostatic force microscopy (EFM) is used here to analyze changes in surface charge density in virgin hair, bleached hair, and hair treated with a cationic polymer. The atomic force microscopy technique is used concomitantly to analyze morphological changes in hair roughness and thickness. The EFM images depict exactly how the polymer is distributed on the surface of the hair fiber. The EFM's powerful analytical tools enabled us to evaluate the varying degrees of interaction between the hair fiber surface charge density and the cationic polymer. The surface charge density and the polymer's distribution in the hair fibers are presented in the light of EFM measurements.