Search results for "Solid"
showing 10 items of 3575 documents
Quantum chemical modelling of perovskite solid solutions
2000
In line with our previous study (Eglitis R I et al 1998 J. Phys.: Condens. Matter 10 6271) for a single Nb impurity and Nb clusters in KTaO3 we present here the results of calculations for a series of perovskite KNbx Ta 1−x O3 (KTN) solid solutions (x = 0, 0.125, 0.25, 0.75, and 1). The quantum chemical method of the intermediate neglect of the differential overlap (INDO) combined with the large unit cell (LUC) periodic model is used. According to the INDO calculations, Nb impurity becomes off-centre in KTaO3 already at the lowest studied Nb concentration. Its off-centre displacement is in a good agreement with XAFS measurements. We compare our results with previous FP-LMTO calculations. Pe…
Differential scanning calorimetric and Raman studies of phase transition V ⇌ IV of ammonium nitrate
1993
Abstract Differential scanning calorimetry, alone and in conjunction with Raman spectrophotometry for simultaneous calorimetric and spectral measurements, was used to study the solid state phase transitions of ammonium nitrate between − 50 and 100 °C. On heating, two transition paths were observed between − 40 and 0 °C: one showing two separate peaks in DSC and the other showing a single peak. The latter path became dominant when samples were thermally cycled. The double transition was followed by transition IV →II at 51 °C and the single transition by transitions IV → III → II at about 50 and 87 °C. Raman spectra showed that there were two phases present between the two DSC peaks at low te…
First-Principles Study on Polymorphs of AgVO3: Assessing to Structural Stabilities and Pressure-Induced Transitions
2017
In this paper, we present a comprehensive theoretical study, based on density-functional theory calculations, and which focuses on the structural and electronic properties of silver vanadium oxide (AgVO3) in the monoclinic [Cm (β-AgVO3), C2/c (α-AgVO3), and Cc], orthorhombic (Amm2), and cubic (Pm3̅m) phases from 0–30 GPa. The structural and electronic properties, the stability of different phases, and the pressure-induced solid–solid phase transitions of AgVO3 have been previously studied. The effects of pressure on the band structures, energy–gap values, density of states, and vibrational frequencies are also studied. Numerical and analytical calculations are conducted to obtain the lattic…
La pensée métaphysique de Heidegger. La transcendance du Dasein comme source d'une metaphysica naturalis
2006
La publication relativement récente des manuscrits de Heidegger dans l"Édition complète (éditée depuis 1975) a permis la découverte des chemins qu"a empruntés cette pensée jusqu"à son « apparition publique » en 1927. Mais en plus de dévoiler tout un pan du travail antérieur à 1927 « l"herméneutique de la facticité », principalement, la parution de ces cours a permis d"éclairer une partie assez méconnue du travail effectué immédiatement après Sein und Zeit, soit l"élaboration d"une « métaphysique du Dasein ». Dès 1929, le texte Kant und das Problem der Metaphysik avait rendu visible mais dans une certaine mesure seulement les modifications que subissait alors la pensée heideggérienne. Ce n"e…
Spanish Fascism as a Political Religion (1931–1941)
2011
This article focuses on the controversial argument that Spanish Fascism, organized in the political party Falange Espanola (FE y de las JONS), can be interpreted as a form of political religion, understood in the sense of Emilio Gentile. The central thesis is that Spanish Fascism was a political religion during the Republican period, that is, from the time of its consolidation during the early 1930s to the beginning of the Civil War. However – and this is the main analytical challenge – it was also one after July 1936, in spite of the fact that the formation of Franco's Movimiento Nacional imposed no small transformations upon it. Even if those transformations were linked to the increasingl…
The Influence of Thermal Treatment on the Electronic Properties of a-Nb2O5
2009
The effect of thermal treatments for 1h at 250{degree sign}C in air or under vacuum on the electronic structure of thick amorphous anodic niobia was characterized by electrochemical impedance, differential admittance (DA) and photocurrent spectroscopy (PCS). The analysis of anodized niobia has revealed that it behaves as a pure dielectric. The thermal treatment in air increases the value of the differential capacitance of the niobia sample. The effect is stronger when the thermal treatment is carried out in vacuum and can be cancelled out by reanodizing the oxide to the initial formation potential. In the case of thermally vacuum-treated sample, a behavior typical of semiconducting amorphou…
Growth and Characterization of Anodic Films on Al-Nb Alloys
2006
Abstract The anodizing behaviours of sputtering-deposited aluminium, niobium and Al-Nb alloys, containing 0.4, 7.5, 21, 40 and 55 at.% niobium, have been examined in 0.1 M ammonium pentaborate electrolyte with interest in the morphology, structure and electronic properties of the anodic oxides. Transmission electron microscopy revealed amorphous oxides, containing units of Nb2O5 and Al2O3, with formation ratios intermediate between those of anodic alumina and anodic niobia. Photocurrent spectroscopy provided increased understanding of the electronic properties of the anodic films, suggesting the formation of “mixed oxides” with insulating behaviours. The estimated band gap values are correl…
Influence of the crystallization process on the photoelectrochemical behaviour of anodic TiO2 films
1997
On the basis of kinetic and photoelectrochemical studies we show that the formation of amorphous or strongly disordered TiO2 films on electropolished titanium rods can occur upon anodization in 0.5 M H2SO4 solution in a range of thickness which depends on the anodization rate. This finding is confirmed both by the changes in the shape of the photocurrent vs. potential curves with the energy of the incident photons, and by the impedance behaviour of the junction. Our data indicate that TiO2 films having different degree of disorder are formed depending on the anodization rate and oxide thickness. Crystalline films are formed at very low growth rates since very low thicknesses. Amorphous or s…
Photoelectrochemical characterization of amorphous anodic films on Ti-6at.%Si
2013
Abstract The solid state properties of anodic films grown galvanostatically on sputtering-deposited Ti–6at.%Si alloys were studied as a function of the formation voltage (5–40 V). From the photocurrent spectra a band gap of ∼3.4 eV was estimated for all the investigated thicknesses, which is almost coincident with the value measured for amorphous TiO 2 . The photocharacteristics allowed to estimate the flat band potential of the films, which resulted to be more anodic for thicker layers and allowed to evidence a change from n-type semiconducting material to insulator by increasing the formation voltage. A dielectric constant of ∼31 was estimated by differential capacitance measurements. The…
Plasmon-enhanced photocurrent in quasi-solid-state dye-sensitized solar cells by the inclusion of gold/silica core–shell nanoparticles in a TiO2 phot…
2013
Direct evidence of the effects of the localized surface plasmon resonance (LSPR) of gold nanoparticles (Au NPs) in TiO2 photoanodes on the performance enhancement in quasi-solid-state dye-sensitized solar cells (DSCs) is reported by comparing gold/silica core–shell nanoparticles (Au@SiO2 NPs) and hollow silica nanoparticles with the same shell size of the core–shell nanoparticles. The Au nanoparticles were shelled by a thin SiO2 layer to produce the core–shell structure, and the SiO2 hollow spheres were made by dissolving the Au cores of the gold/silica core–shell nanoparticles. Therefore, the size and morphology of the SiO2 hollow spheres were the same as the Au@SiO2 NPs. The energy conver…