Search results for "Materials Chemistry"
showing 10 items of 6414 documents
Ab initio calculations of CaZrO3, BaZrO3, PbTiO3 and SrTiO3 (001), (011) and (111) surfaces as well as their (001) interfaces
2019
We carried out ab initio calculations for technologically important ABO3 perovskites, like, CaZrO3, BaZrO3, PbTiO3 and SrTiO3, their (001), (011) and (111) surfaces as well as (001) interfaces. For...
Explosive crystallization in amorphous CuTi thin films: a molecular dynamics study
2019
Abstract Molecular dynamic simulation was used to study mechanism of self-propagating waves of explosive crystallization (devitrification) in the CuTi metallic glass. Processes in thin rectangular samples composed of one to two million atoms were simulated and compared with experimental data. It was shown that the nucleation of primary crystalline clusters occurs homogeneously due to spontaneous fluctuations of atomic structure; the clusters not
The effects of thermal treatment on structural, morphological and optical properties of electrochemically deposited Bi2S3 thin films
2017
Abstract Thin films of bismuth sulfide (Bi 2 S 3 ) have been electrochemically deposited on indium–doped tin oxide substrates from aqueous solutions of Bi(NO 3 ) 3 , ethylene diamine tetraacetic acid (EDTA) and Na 2 S 2 O 3 . The structural properties of the films were characterized using X–ray diffraction and high–resolution transmission electron microscopy analyses. The film crystallizes in an orthorhombic structure of Bi 2 S 3 along with metallic bismuth. Thermal annealing of the prepared film in sulfur atmosphere improves its crystallinity and cohesion. The band gap values of the deposited film before and after annealing at 400 °C were found to be 1.28 and 1.33 eV, respectively.
Flash annealing influence on structural and electrical properties of TiO2/TiO/Ti periodic multilayers
2014
Abstract Multilayered structures with a 40 nm period composed of titanium and two different titanium oxides, TiO and TiO 2 , were accurately produced by DC magnetron sputtering using the reactive gas pulsing process. These multilayers were sputtered onto Al 2 O 3 sapphire to avoid substrate compound diffusion during flash annealing (ranging from 350 °C to 550 °C). Structure and composition of these periodic TiO 2 /TiO/Ti stacks were investigated by X-ray diffraction, X-ray photoemission spectroscopy and transmission electronic microscopy techniques. Two crystalline phases α-Ti and fcc-TiO were identified in the metallic-rich sub-layers whereas the oxygen-rich ones were composed of a mixture…
Structural and morphological characterization of the Cd-rich region in Cd1-xZnxO thin films grown by atmospheric pressure metal organic chemical vapo…
2019
Abstract We have analysed the growth, morphological and structural characterization of Cd1-xZnxO thin films grown on r-sapphire substrates by atmospheric pressure metal organic chemical vapour deposition, mainly focusing on the Cd-rich rock-salt phase for its promising optical and technological applications. The evolution of the surface morphology and crystalline properties as a function of Zn content has been studied by means of high resolution x-ray diffraction and electron microscopy techniques. Monocrystalline (002) single-phase cubic films were obtained with Zn contents up to 10.4%, and with a low density of dislocations as a consequence of the optimized crystal growth process. Particu…
New low-temperature phosphate glasses as a host for Europium Ions
2021
Abstract Artificial lightining, especially that of light emitting diodes, and telecommunications are penetrating every part of human lives daily. Different compositions phosphate glasses were suggested as a suitable host material for Eu3+ ions. Here rare earth metal ions act as luminescent centers also perturbing the bond order of phosphate glass network comprised of (PO4)3−, [−(O)PO3]2−, [−(O)2PO2]−, [−(O)3PO] structural units, which is indicated by Raman spectroscopy, confirming successful integration of aforementioned ions into the glass material. Glasses doped with Eu3+ ions show their typical photoluminescence spectra in low symmetry environment, consisting of the highest intensity 5D0…
A multilayer model for self-propagating high-temperature synthesis of inter-metallic compounds
2007
International audience; Self-propagating high-temperature synthesis of intermetallic compounds is of wide interest. We consider reactions in a binary system in which the rise and fall of the temperature during the reaction is such that one of the reacting metals melts but not the other. For such a system, using the phase diagram of the binary system, we present a general theory that describes the reaction taking place in a single solid particle of one component surrounded by the melt of the second component. The theory gives us a set of kinetic equations that describe the propagation of the phase interfaces in the solid particle and the change in composition of the melt that surrounds it. I…
Thermal expansion and polarization of (1-x)PNN-xPT solid solutions
2019
The paper presents the results of detailed studies of the thermal expansion of (1-x)PbNi1/3Nb2/3O3-xPbTiO3 solid solutions with x = 0-0.8. The anomalous and lattice contributions to deformation and...
Anomalies of dielectric properties and conductivity in single domain LiNbO3:Zn crystals
2016
ABSTRACTA study of the temperature dependence of dielectric constant, conductivity, and piezoelectric modulus in the single-domain state of LiNbO3 crystals modified by Zn admixture at threshold concentration is reported. Unipolarity of the LiNbO3:Zn crystals is observed to increase after treatment of brand-new samples by high-temperature electro-diffusion annealing and by subsequent high-temperature annealing of short-circuited samples. The observed effects are explained as a result of meta-stable residual domains collapsing at high temperature the collapse being assisted by disintegration of charged clusters stabilizing domain walls. The rise of unipolarity is accompanied by anomalies on t…
Half-Heusler superlattices as model systems for nanostructured thermoelectrics
2015
The efficiency of thermoelectric materials is directly related to the dimensionless figure of merit , therefore, one of the means to improve ZT is to reduce the thermal conductivity. Our research focuses on half-Heusler superlattices (SLs) and the relationship between the SL period and the thermal conductivity. The cross-plane thermal conductivity of DC-sputtered TiNiSn/HfNiSn SLs was measured by the 3 method at room temperature and a clear reduction of was achieved for all SL periods, in particular for periods smaller than 20 nm. Moreover, the thermal conductivities of TiNiSn and HfNiSn single films display reduced values compared to the literature data for bulk materials. Furthermore, we …