Physical Properties of Materials and Modelling (SPMS) - CNRS-UMR 8580

Research fields

• NANOSTRUCTURED FUNCTIONAL MATERIALS FOR ENERGY
  This joint research team (École Centrale Paris, CEA) is interested in the behaviour and properties of ceramics in and out of thermodynamic equilibrium. Thus, it studies the influence of preparation conditions on the properties of materials and the degradation of these properties induced by aging in extreme environments. These studies have particular importance for nuclear applications.
• DIELECTRIC MATERIALS FOR ELECTROACTIVE COMPONENTS
  Dielectric susceptibility, ferroelectricity and piezoelectricity are properties currently found within electronic and microelectronic components. The objective of this research team is to prepare the electronics of the future by developing new materials and models for predicting properties. These models rely strongly on the study of linkages between structure and electrical properties.
• FROM MODEL MATERIALS TO MATERIALS FOR PHARMACEUTICAL APPLICATIONS
  The scientific objective of this joint research project (Centrale Paris, Faculty of Pharmaceutical Sciences at Châtenay-Malabry) is twofold: to contribute to a better understanding of the interactions between biological targets and active principles by x-ray diffraction and ab initio modelling; and, secondly, to develop new methods for determining the electronic structure of materials. These may have a general character and thus be applicable to all systems. However, they may also be adapted to a particular system and therefore enable a better understanding of the properties or a better use of information contained in the experimental data (combined simulation- diffraction study).
• MATERIALS FOR HYDROGEN TECHNOLOGIES
  The goal of this research team is to find breakthrough materials that would enable a massive use of hydrogen for energy production. This entails experimental and theoretical study of materials which enable a lowering of the operating temperature of solid oxide fuel cells to around 650°C. The team also works on the production of H₂ by photolysis or H₂ storage.

Applications

• Nuclear industry: ceramics for 4^th generation reactors. Functional Ceramics: large-capacity multilayer condensers, piezoelectric transducers, microsystems, electrostrictive actuators; Biomedical and pharmaceutical industries, chemical and agro-food industries, analytical chemistry, gemmology, and minerology; Ionic conductors, oxygen probes, fuel cells, proton conducting materials; Development of nanotextured ceramics.

Research facilities 

• High resolution X-ray scattering with fixed temperature, electric field, controlled atmosphere.
• Electrical measures between 10 and 1473 K: 4 points, impedance, Van der Pauw, etc.
• Raman Spectroscopy in situ (77-873 K).
• Thermal and thermogravimetric analyses.
• Development of powders and nanopowders, monocrystals, thin films, and shaping of ceramics.
• Modelling: DFT, Monte Carlo, and molecular dynamic calculations.