National Institute Of Materials Physics - Romania

Cobalt environment and magnetic defects nature in hydrothermal synthesized anatase CoxTi1-xO2 nanopowders (0 <= x <= 0.1) are investigated by x-ray diffraction and a variety of spectroscopic techniques. One shows that cobalt is partially inserted in the anatase lattice, as Co2+ ions located on substitutional and interstitial sites. The fraction of the diluted Co is limited to 3 at.% for x >= 0.05, while the rest of the Co atoms gather into Co3O4 clusters. As found by electron paramagnetic resonance, the Co doping brings about hole-and electron-excess defects. (C) 2013 AIP Publishing LLC [http://dx.doi.org/10.1063/1.4802819]

A new phenomenological approach describing the dependence of the strain diffraction line breadth on direction in both crystal and sample is presented. For a negligibly small dependence on the direction in the sample, these models reduce to those for anisotropic strain broadening that already exist in the literature and which are implemented in popular Rietveld codes. The new model is appropriate for implementation in the Rietveld programs able to process simultaneously diffraction patterns recorded in multiple directions in a sample.

The structure and electronic properties of the system resulted by epitaxial growth of a single atomic Au layer on a heated Ge(001) surface featured by (2 x 1) reconstruction are studied. The deposition at similar to 750 K results in a well-ordered Au surface featured by ripples separated by four times the theoretical distance between two neighboring Au atoms. As revealed by valence-band photoemission studies, the Au/Ge(001) system has metallic character. Correlating X-ray photoelectron spectroscopy results with first-principles calculations we derive the implications on the covalent bonding of Au on the Ge dimer surface. (C) 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Surface- and bulk-phosphated ceria catalysts were prepared and studied in propane oxidative dehydrogenation (ODH) at 823 and 873K. The catalysts were characterized by N2 adsorption at 77K, XRD, TEM, and diffuse reflectance IR Fourier transform (DRIFT), Raman, X-ray photoelectron (XPS), and energy dispersive X-ray (EDX) spectroscopies. Both series of catalysts presented an increase in the ODH selectivity with respect to pure ceria mainly at the expense of total oxidation selectivity. Thus, the selectivity to propene was approximately 74% with surface-phosphated catalysts and 62% with bulk-phosphated catalysts. For the surface-phosphated samples, P is confined to the surface and subsurface regions of the ceria particles, whereas P is also dispersed in the bulk of the oxide in the bulk-phosphated samples. Finally, all the characterization techniques led us to the conclusion that Ce4+ cations that interact with P are responsible for the observed increase in the ODH.

The surface structure, interface reactivity, electron configuration and magnetic properties of Sm layers deposited on Si(0 0 1) at various temperatures are investigated by low-energy electron diffraction (LEED), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS) and magneto-optical Kerr effect (MOKE). It is found that metal Sm is present on samples prepared at low temperature, with an interface layer containing SmSi2 and Sm4Si3. When samples are prepared at high temperature, much less metal Sm is found, with an increasing amount of SmSi2. Room temperature ferromagnetism is observed for all prepared layers, with a decrease of the saturation magnetization when samples are prepared at high temperature. It is found that ferromagnetism implies mostly a compound with approximate stoichiometry Sm4Si3. Also, the decrease in the intensity of the XAS 2p(3/2) -> 3d white lines with the corresponding increasing amount of SmSi2 may be explained by assuming a higher occupancy of Sm 5d orbitals (5d(2) configuration), most probably due to hybridation effects. (C) 2012 Elsevier B. V. All rights reserved.

Ferromagnetic FexGe1-x with x = 2%-9% are obtained by Fe deposition onto Ge(001) at high temperatures (500 degrees C). Low energy electron diffraction (LEED) investigation evidenced the preservation of the (1 x 1) surface structure of Ge(001) with Fe deposition. X-ray photoelectron spectroscopy (XPS) at Ge 3d and Fe 2p core levels evidenced strong Fe diffusion into the Ge substrate and formation of Ge-rich compounds, from FeGe3 to approximately FeGe2, depending on the amount of Fe deposited. Room temperature magneto-optical Kerr effect (MOKE) evidenced ferromagnetic ordering at room temperature, with about 0.1 Bohr magnetons per Fe atom, and also a clear uniaxial magnetic anisotropy with the in-plane [110] easy magnetization axis. This compound is a good candidate for promising applications in the field of semiconductor spintronics.

The influence of different ions NO3 (-) and SO4 (2-) on the carbon steel corrosion in ammonium chloride was investigated using mass loss measurements and potentiodynamic polarization. Corrosion products were analyzed using X-ray photoelectron spectroscopy (XPS) and simultaneous thermal and differential scanning calorimetry (TG/DSC). XPS analysis shows that the main product of corrosion is a non-stoichiometric Fe3+ oxyhydroxide, consisting of a mixture of FeO(OH) and FeO(OH) containing inclusions of these anions, species such as Fe3+O(OH,Cl-); Fe3+O(OH,SO4 (2-)); and Fe3+O(OH,NO3 (-)). TG/DSC confirms the decomposition of the rusty products formed by chemical corrosion, compounds like Fe3+ oxyhydroxides, with beta-FeOOH as the major phase, crystal structure of which may contain Cl-, NO3 (-), and SO4 (2-)-e.g., akaganeite [Fe3+O(OH,A)].

Caesalpinia pulcherrima (Linn) popularly known as Peacock flower in India belongs to family Caesalpiniace. In this work, we describe environment friendly technique for green synthesis of gold nanoparticles from AuCl4 solution using the Caesalpinia pulcherrima (Peacock flower) flower extract as reducing agent. The gold nanoparticles were characterized using UV-visible spectroscopy and transmission electron microscopy (TEM). The UV- visible spectra indicate a strong Plasmon resonance that is located at similar to 450 nm. The TEM analysis shows that products have spherical morphology with size ranging between 1.0-50 nm. The study also indicates that gold nanoparticles show good antimicrobial activities when compared to the standard antibiotics.

In this paper we investigate the properties of two-dimensional photonic crystals (2D PhCs) with both hexagonal and square symmetry for applications in optoelectronics and telecommunication. An efficient way of manipulating the light is to make use of the defects introduced within the periodic structure, which consequently break the symmetry of the crystal, resulting in linear waveguides or resonant cavities. We calculate using finite-difference time-domain and finite-difference frequency-domain methods the properties associated with several kinds of defects, conveniently selected, performed in 2D PhCs with square and hexagonal symmetry.

We present a careful analysis of field characteristics in two-dimensional photonic crystals with square and hexagonal symmetry designed in a Si/SiO2/Cu heterostructure. A special attention is devoted to frequencies close to photonic band gap. Following the symmetry classification in odd and even modes, their field characteristics are studied. The material prepared in a dedicated deposition chamber in ultra-high vacuum by annealing the Si/SiO2 substrate and subsequent deposition of 10 angstrom copper in order to prevent the sample oxidation, allows the study of the photonic characteristics of the copper/silicon oxide/silicon interface. The chemical state of the Cu/SiO/Si system is addressed by photoelectron spectroscopy which allows us to deduce the amount of crystalline Si and amorphous oxide. In this manner a precise estimation of the dielectric constant of the materials is possible. It is expected that at the interface with copper, a strong confinement of radiation should appear due to high reflectivity of copper.