Physical properties of advanced energy materials predicted and improved using ab initio calculations

Prof. El Kebir Hlil

Prof. El Kebir Hlil
University of Joseph Fourier at Grenoble, France

Prof. El Kebir Hlil, University of Joseph Fourier at Grenoble, France.

From the electronic structure calculations, we will show that the physical properties of advanced energy materials such as used in the photovoltaics, magnetocaloric refrigeration, thermoelectricity, superconductivity, Li+/Na+ ion
batteries, fuel cells, as well as hydrogen storage in solids can be predicted and improved. For such goal, the first principle calculations based on DFT will be presented. Both wave function and Green function approaches will be mentioned.
The wave function will be used for materials with ordered phase, while the Green function will be considered for materials presenting a chemical disorder. The most popular calculation methods such as FLAPW, LCAO, FPLO, and KKR-CPA will be discussed in terms of ability to simulate all above mentioned properties and related efficiencies. Special attention will be paid to the nanomaterials such as particles, thin films or multilayers.

Biography

El Kebir HLIL is a Professor of Physics of Materials in the University of Joseph Fourier at Grenoble, France. From Teaching experience point of view, He is a lecturer of Physics of material including characterizations, physical properties and namely material for energy. He has worked in several research fields and namely on materials for storage and conversion of energy such as Metal hydrides, Thermoelectric materials, Magnetocaloric materials and Semi-conductor materials. He has participated in several International Schools as lecturer of electronic structure calculations, characterization of powders and nanomaterials as well as materials for energy. He supervised over 35 PhD students. He contributed to over 450 conferences and He published about 400 papers in international learned journals