Photovoltaic and thermoelectric proprieties of

nanomaterials improved by using ab initio calculations

 

E.K. Hlil

Institut Néel, CNRS, Université Grenoble Alpes, BP 166, 38042 Grenoble, France

 

ABSTRACT: 

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Based on electronic structure calculations, photovoltaics and thermoelectric properties 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 and KKR-CPA will be discussed in terms of ability to simulate above mentioned properties and related efficiencies. Moreover, we will show that photovoltaic devices based on organometallic material can be easily designed from our calculations. Special attention will be paid to the nanomaterials such as particles, thin films or multilayers.

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BIOGRAPHIE:

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El Kebir HLIL is a Professor of Physics of Materials in Grenoble Alpes University, France. From Teaching experience point of view, He is a lecturer of Physics of material including characterizations, synthesis, physical properties and namely materials 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 50 PhD students. He contributed to over 520 conferences and He published about 540 papers in international learned journals (see ResearchGate website).

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