Search results for "spinel"
showing 10 items of 103 documents
The pressure-induced ringwoodite to Mg-perovskite and periclase post-spinel phase transition: a Bader’s topological analysis of the ab initio electro…
2011
In order to characterize the pressure-induced decomposition of ringwoodite (c-Mg2SiO4), the topological analysis of the electron density q(r), based upon the theory of atoms in molecules (AIM) developed by Bader in the framework of the catastrophe theory, has been performed. Calculations have been carried out by means of the ab initio CRYSTAL09 code at the HF/DFT level, using Hamiltonians based on the Becke- LYP scheme containing hybrid Hartree– Fock/density functional exchange–correlation terms. The equation of state at 0 K has been constructed for the three phases involved in the post-spinel phase transition (ringwoodite -> Mg-perovskite + periclase) occurring at the transition zone–lower…
Transition from mildly-tholeiitic to calc-alkaline suite: the case of Chichontepec volcanic centre, El Salvador, Central America
1998
Abstract The Chichontepec volcano is a Plio-Pleistocene composite volcano that erupted lavas ranging from high-alumina basalts to dacites. It experienced a caldera-forming paroxysmal eruption during the early Pleistocene. Pre-caldera lavas are mildly tholeiitic and they evolved mainly by low pressure crystal fractionation, notwithstanding the fact that most mafic lavas (low-MgO high-alumina basalts) retain traces of polybaric evolution. Conversely, post-caldera lavas, which are mainly pyroxene andesites, are clearly calc-alkaline, having evolved by open-system crystal fractionation. Sr–Nd isotopic data and trace elements characteristics indicate that the same mantle source was involved in t…
Atomic Layer Deposition of Spinel Lithium Manganese Oxide by Film-Body-Controlled Lithium Incorporation for Thin-Film Lithium-Ion Batteries
2013
Lithium manganese oxide spinels are promising candidate materials for thin-film lithium-ion batteries owing to their high voltage, high specific capacity for storage of electrochemical energy, and minimal structural changes during battery operation. Atomic layer deposition (ALD) offers many benefits for preparing all-solid-state thin-film batteries, including excellent conformity and thickness control of the films. Yet, the number of available lithium-containing electrode materials obtained by ALD is limited. In this article, we demonstrate the ALD of lithium manganese oxide, LixMn2O4, from Mn(thd)3, Li(thd), and ozone. Films were polycrystalline in their as-deposited state and contained le…
High-pressure x-ray diffraction andab initiostudy ofNi2Mo3N,Pd2Mo3N,Pt2Mo3N,Co3Mo3N, andFe3Mo3N: Two families of ultra-incompressible bimetallic inte…
2010
We have studied by means of high-pressure x-ray diffraction the structural stability of ${\text{Ni}}_{2}{\text{Mo}}_{3}\text{N}$, ${\text{Co}}_{3}{\text{Mo}}_{3}\text{N}$, and ${\text{Fe}}_{3}{\text{Mo}}_{3}\text{N}$. We also report ab initio computing modeling of the high-pressure properties of these compounds, ${\text{Pd}}_{2}{\text{Mo}}_{3}\text{N}$ and ${\text{Pt}}_{2}{\text{Mo}}_{3}\text{N}$. We have found that the nitrides remain stable in the ambient-pressure cubic structure at least up to 50 GPa and determined their equation of state. All of them have a bulk modulus larger than 300 GPa. Single-crystal elastic constants have been calculated in order to quantify the stiffness of the i…
Distinctive features of diffusion-controlled radiation defect recombination in stoichiometric magnesium aluminate spinel single crystals and transpar…
2020
This work has been performed within the framework of the EUROfusion Enabling Research project: ENR-MFE19.ISSP-UL-02 “Advanced experimental and theoretical analysis of defect evolution and structural disordering in optical and dielectric materials for fusion application”. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Research of A.L, E.F.,, V.S and E.S has been partly supported by the Estonian Research Council grant (PUT PRG619); has been also carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014–2018 and 2019–2020 under grant agreement No 633053. The …
Experimental set up for determining the temperature-oxygen partial pressure conditions during synthesis of spinel oxide nanoparticles
1997
Abstract Nanometric spinel oxide powders, Fe 3− x M x O 4 , where M is a transition element, have been synthetized by soft chemistry. This method generally leads to a non-stoichiometric phase, Fe 3− x M x O 4+δ where δ is the deviation from stoichiometry so that further annealing at low temperatures around 450°C and low oxygen partial pressure around 10 −25 Pa given by N 2 /H 2 /H 2 O gas mixtures is required: this enables a stoichiometric compound to be obtained and a nanometric size to be maintained. The complete set up consisting of a gas mixer, a thermogravimetric apparatus and a preparative furnace is described. Some results concerning the conditions of temperature and oxygen partial p…
Room Temperature Magnetism in Layered Double Hydroxides due to Magnetic Nanoparticles
2013
Some recent reports claiming room temperature spontaneous magnetization in layered double hydroxides (LDHs) have been published; however, the reported materials cause serious concern as to whether this cooperative magnetic behavior comes from extrinsic sources, such as spinel iron oxide nanoparticles. The syntheses of crystalline Fe(3+)-based LDHs with and without impurities have been developed, highlighting the care that must be taken during the synthetic process in order to avoid misidentification of magnetic LDHs.
Surface composition analysis during the oxidation of ferrites: A necessity
1998
The cationic composition of a titanium ferrite (Fe 2.5 Ti 0.5 O 4 ) has been followed by XPS during its oxidation in cation deficient phases (without crystallographic transformation) in order to reveal a dynamic segregation phenomenon. Indeed, during this oxidation, an important modification of the chemical composition of the first layers of the material has been revealed: below 350 °C, the titanium ferrites surface becomes richer in iron and poorer in titanium. But, if the reaction is extended above 400 °C, some titanium can move to the surface. This phenomenon has been interpreted on the basis of the differences of mobility of the different ions which are present in the material. Finally,…
An ESCA and Mössbauer study of the oxide layer formed on steel in water containing chromate and chloride ions
1983
Abstract The formation of oxidic layers on steel in chromate solutions was studied by photo-electron and Mossbauer spectroscopy. To simulate more aggressive realistic systems, some chloride ions were added to the solution. The layers formed under these conditions were found to be thicker by an order of magnitude than those formed in the absence of chloride ions. They probably consist of ferric and chromic oxides of the corundum type (Fe 1−2 Cr x ) 2 O 3 , with the Cr : Fe ratio being depth dependent. The oxide layer is subdivided into small regions behaving superparamagnetically. This heterogeneity of the layer is ascribed to the attack by the chloride ions. The structure of the oxides foun…
Synthesis and Stability Region of Stoichiometric Nanocrystalline Vanadium−Iron Spinel Powders
2000
Vanadium-iron spinels with nanometric sizes have been synthesized by a soft chemistry route. This way of elaboration consists of a coprecipitation followed by thermal treatments at low temperatures. The last thermal annealing is performed under a reducing atmosphere in order to obtain the exact oxygen stoichiometry (four oxygen atoms for three metal atoms in AB 2 O 4 ). Because of the low temperatures used, very low oxygen partial pressures (between 10 -20 and 10 -30 Pa) have to be applied. For this purpose, a reducing setup has been used. It consists of H 2 /N 2 /H 2 O gas mixtures, creating a reducing atmosphere with low oxygen partial pressure. This atmosphere can be applied to a sample …