A5053828806- Advancements in Solid Oxide Fuel Cells
- Electronic and Structural Properties of Oxides
- Magnetic and transport properties of perovskites and related materials
- Advanced Condensed Matter Physics
- Ferroelectric and Piezoelectric Materials
- Fuel Cells and Related Materials
- Gas Sensing Nanomaterials and Sensors
- Catalysis and Oxidation Reactions
- Microwave Dielectric Ceramics Synthesis
- Nuclear Materials and Properties
- Analytical Chemistry and Sensors
- Thermal Expansion and Ionic Conductivity
- Chemical Looping and Thermochemical Processes
- Nuclear materials and radiation effects
- Acoustic Wave Resonator Technologies
- Advanced ceramic materials synthesis
- Magnetic Properties of Alloys
- Catalytic Processes in Materials Science
- High-pressure geophysics and materials
- Machine Learning in Materials Science
- Luminescence Properties of Advanced Materials
- Semiconductor materials and devices
- Metal Extraction and Bioleaching
- Inorganic Chemistry and Materials
- Electrocatalysts for Energy Conversion
Laboratoire Structures, Propriétés et Modélisation des Solides
2014-2024
Université Paris-Saclay
2016-2024
Centre National de la Recherche Scientifique
2010-2024
CentraleSupélec
2012-2024
Laboratoire de Mécanique, Modélisation & Procédés Propres
2008-2020
Laboratoire d'Énergétique Moléculaire et Macroscopique, Combustion
2014-2017
École Centrale Paris
2007-2016
École Centrale d'Électronique
2014-2015
Centre des Matériaux
2009
Universitat de Barcelona
2002-2005
We study the influence of Nb doping on TiO2 anatase-to-rutile phase transition, using combined transmission electron microscopy, Raman spectroscopy, x-ray diffraction and selected area analysis. This approach enabled transition hindering to be clearly observed for low Nb-doped samples. Moreover, there was clear grain growth inhibition in samples containing Nb. The use high resolution microscopy with our provides an innovative perspective compared previous research this issue. Our analysis...
The solid solution NbxTi1-xO2+δ has been synthesized by a sol−gel method with 0.0 ≤ x 0.1. Structural and microstructural properties have studied XPS, XRD, Raman spectroscopy, TEM as function of the Nb/Ti atomic ratio thermal treatment temperature (600−900 °C). XRD analyses showed that percentage nominal added Nb was assimilated in substitutional Ti sites bulk TiO2 adopting pentavalent state. On other hand, XPS detected high concentration at surface. basis careful analysis spectra it is...
The structural, dynamical and dielectric properties of the cubic phase perovskite barium stannate BaSnO3, a potential candidate as protonic conductor for solid oxide fuel cells, have been investigated by means first-principles density functional calculations, structural electrical explored at low temperature. From perturbative phonon modes, Born effective charges tensor are derived analyzed, zero pressure. band-structure does not exhibit unstable in good agreement with x-ray diffraction,...
Ca<sub>3</sub>Co<sub>4</sub>O<sub>9+δ</sub> exhibits fast oxygen exchange kinetics rendering it a promising electrode for application as an air in solid oxide cells.
The charge-transfer insulating perovskite oxides currently used as fuel cell electrolytes undergo, at high temperature, an oxidation reaction $\frac{1}{2}{\mathrm{O}}_{2}(\mathrm{g})+{\mathrm{V}}_{\mathrm{O}}^{\ifmmode\bullet\else\textbullet\fi{}\ifmmode\bullet\else\textbullet\fi{}}\ensuremath{\rightarrow}{\mathrm{O}}_{\mathrm{O}}^{\mathrm{X}}+2{\mathrm{h}}^{\ifmmode\bullet\else\textbullet\fi{}}$, that produces oxygen-type holes. Understanding the nature and mobility of these holes is...
Structural and magnetic properties of nanocrystalline compounds the general formula ${\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{MnO}}_{3+\ensuremath{\delta}}$ have been investigated combining x-ray diffraction absorption spectroscopy in order to achieve an accurate description sample atomic structure relation with its properties. The study reveals segregation different phases instead a homogeneous composition. Interesting is vacancy-doped phase ${\mathrm{La}}_{y}{\mathrm{MnO}}_{3}$ whose...
The mechanisms of oxygen diffusion in GdBaCo2O5.5 compound are investigated by molecular dynamics simulations. results confirm that is mainly bidimensional with moving the (a,b) plane while along c axis much more difficult. Between 1000 and 1600 K, activation energy for about 0.6 eV, close to experimental values. Going deeper inside mechanism, we see this occurs cobalt planes most vacancies kept Gd planes. Analysis motions show can be seen as source-sink rather than fast pathways.
Double perovskite cobaltites were recently presented as promising cathode materials for solid oxide fuel cells. While an atomistic mechanism was proposed oxygen diffusion in this family of materials, no direct experimental proof has been so far. We report here the first study that directly compares and theoretical pathways oxide, namely double cobaltite compound, NdBaCo2O5+x. Model-free nuclear density maps are obtained from maximum entropy method combined with Rietveld refinement against...
Abstract The effect of the dopant distribution on oxygen diffusion in doped fluorites typically used for solid oxide fuel cells electrolyte applications has been analysed by using molecular dynamics simulations. mass transport both yttria‐stabilized zirconia (YSZ) and gadolinia‐doped ceria studied compared range temperatures between 1,159 1,959 K. A new methodology based analysis local environments is to describe process at an atomic scale. Preferred vacancy migration pathways, most suitable...
Hydration and oxidation of gadolinium-doped barium cerate, a system with highly promising properties when used as electrolyte for protonic ceramic fuel cells, are investigated by means density functional calculations. The energy landscape oxygen vacancies interstitial protons in this strongly distorted orthorhombic perovskite is computed. Although the most stable sites found close vicinity dopant, picture very complex emerges, which some far away from Gd more than other ones its vicinity,...