Search results for "Dopant"
showing 10 items of 162 documents
Y:BaZrO 3 Perovskite Compounds II: Designing Protonic Conduction by using MD Models
2011
The proton dynamics in Y-doped BaZrO(3) derivatives, in particular the different dopant environments within a Pm3m cubic framework, were studied by using classical molecular dynamics (MD) calculations. Single- and double substitution of zirconium by yttrium atoms was considered. The presence of yttrium induced variations in the surrounding oxygen sites, according to their local geometrical arrangements. The differences among such distinct oxygen sites became evident when protons interacted with them and upon changes in the temperature. So, different proton transfer pathways, which had different energy barriers, characterized the topologically different oxygen sites. The experimental proton-…
M�ssbauer study of the spatial distribution of the active species in Cs doped Fe2O3-V2O5 catalysts
1995
From a Cs doped Fe2O3-V2O5 (Fe:V=1.4) catalyst exhibiting an inhomogeneous composition after calcination, three different fractions have been separated by visual inspection. One fraction has been found to consist of mainly α-Fe2O3, another one of mainly FeVO4. The third fraction (S1 in the text) is the catalytically most active fraction containing besides both of the former components an amorphous phase of FexVyOz and also the dopant. By combining the results from transmission and conversion electron Mossbauer spectra it has been concluded that the amorphous component is enriched in the surface region of the crystallites of the catalyst. In addition, the formation of a thin surface layer of…
Photolysis of Adsorbed Phases: Ethanoic Acid-Insulators and Semiconductors Systems. Influence of Acid-Base Properties.
1986
The paper reports the results of experiments in which the photodecomposition of adsorbed ethanoic acid (and in few cases of adsorbed acetone and ethanol) was carried out by using several silica gel samples, whose properties were modified by adding oxidic dopants as γ-Al2O3, which is acidic in character, and MgO, which is mainly basic. Also the related system MgO-Al2O3 was investigated. Few IR spectra on selected pure specimens and on specimens containing adsorbed ethanoic acid were recorded with the aim of following the variation of the surfaces-adsorbate interaction with the variation of the acid-base properties. It was also of interest to compare the photoreactivity of insulators and semi…
Impact of aggregates on excitation dynamics in transparent polymer films doped by dipolar molecules
2008
Abstract Optical properties of transparent polymer films of polymethylmethacrylate doped (up to 25 wt.%) by dipolar N , N -dimethylaminobenzylidene 1,3-indandione (DMABI) molecules were studied. Formation of DMABI nanocrystallites, increasing in their density and size with dopant concentration, was revealed by optical microscopy. Transformation of the fluorescence spectrum from the molecular-like emission (for the low dopant concentration below 1 wt.%) to highly red-shifted fluorescence corresponding to self-trapped excitons in the crystallites was observed. It was shown, that due to the resonant energy transfer in the blend, the DMABI nanocrystals can serve as efficient fluorescence marker…
Optical properties of lithium niobate single crystals
2005
Studies of thermal and γ-irradiation effects on the optical properties in congruous lithium niobate single crystals containing Y, Mg, Gd, B, and Zn dopants including samples with double dopants Y, Mg and Gd, Mg are reported. Formation of defects at irradiation and thermal treatment of the samples is explored by electron absorption spectra. Considerable increase of absorption with the dose of γ-radiation is observed at 500 nm. The changes of absorption examined under different conditions are explained by creation and destruction of Nb 4 + defects.
Gold assisted oxygen dissociation on a molybdenum-doped CaO(001) surface
2016
Using density functional theory (DFT) calculations, we address the adsorption of O2 and the coadsorption of gold species and oxygen molecules on a Mo-doped CaO(001) surface with 1.25% impurity concentration. With the help of the Born–Haber thermodynamic cycle, the enhanced binding of an oxygen molecule on Ca(Mo)O is attributed to energy gain owing to simultaneous electron transfer from the dopant to the molecule and lattice relaxations. We consider three coadsorption structures for an Au atom and O2 molecule with different Au–O2 distances. The calculations demonstrate that the coadsorption structures take one electron from the dopant and the O–Au–O chain structure is thermodynamically more …
Tailoring oxide properties: An impact on adsorption characteristics of molecules and metals
2014
Abstract Both density functional theory calculations and numerous experimental studies demonstrate a variety of unique features in metal supported oxide films and transition metal doped simple oxides, which are markedly different from their unmodified counterparts. This review highlights, from the computational perspective, recent literature on the properties of the above mentioned surfaces and how they adsorb and activate different species, support metal aggregates, and even catalyse reactions. The adsorption of Au atoms and clusters on metal-supported MgO films are reviewed together with the cluster׳s theoretically predicted ability to activate and dissociate O 2 at the Au–MgO(100)/Ag(100…
Structural analysis, phase stability and electrochemical characterization of Nb doped BaCe0.9Y0.1O3−x electrolyte for IT-SOFCs
2012
Abstract To improve the chemical stability of high temperature proton conductors based on barium cerate, electrolyte powders doped with different amounts of niobium were synthesized by the citrate–nitrate auto-combustion method. Pure single phases of BaCe 0.9− x Nb x Y 0.1 O 3− x (BCYN, 0.03 ≤ x ≤ 0.12) were obtained by thermal treatment at 1000 °C. Sintering at 1450 °C for 10 h produced dense pellets. X-ray absorption spectroscopy allowed to define the dopant ion insertion site and the co-dopant valency. Treatments in pure CO 2 atmosphere at 700 °C for 3 h and subsequent XRD analysis were carried out to probe the chemical stability of the produced electrolytes. The influence of the prese…
Structural and Electrochemical Analysis of CIGS: Cr Crystalline Nanopowders and Thin Films Deposited onto ITO Substrates
2021
A new approach for the synthesis of nanopowders and thin films of CuInGaSe2 (CIGS) chalcopyrite material doped with different amounts of Cr is presented. The chalcopyrite material CuInxGa1 − xSe2 was doped using Cr to form a new doped chalcopyrite with the structure CuInxCryGa1 − x − ySe2, where x = 0.4 and y = 0.0, 0.1, 0.2, or 0.3. The electrical properties of CuInx CryGa1 − x − ySe2 are highly dependent on the Cr content and results show these materials as promising dopants for the fabrication thin film solar cells. The CIGS nano-precursor powder was initially synthesized via an autoclave method, and then converted into thin films over transparent substrates. Both crystalline precursor p…
The Effect of Dopants on Sintering and Microstructure of Lead-free KNN Ceramics
2011
Lead-free potassium sodium niobate (K0.5Na0.5)NbO3 (KNN) has been prepared via conventional ceramic processing method. The influence of 0.5 wt% - 1.5 wt% MnO2 and WO3 addition on the sintering, crystallographic structure, microstructure and dielectric properties of KNN has been investigated. Optimal sintering temperatures of KNN ceramics were observed to be in the narrow interval: 1090 °C - 1110 °C for MnO2 doped KNN; 1150 °C - 1170 °C for pure KNN and doped with WO3. XRD patterns showed that all the samples have single perovskite structure with monoclinic structure. Microstructure of ceramics was changed greatly by using dopants.http://dx.doi.org/10.5755/j01.ms.17.1.251