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PhD position Nantes (France) - solar photocataly ... (No replies)
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Designing layered mixed anion compounds for solar photocatalysis
Keywords: Materials design, hydrogen, photocatalysis, DFT
In the context of global warming ang growing energetical consumption, photocatalytic splitting of water is a promising and simple way to produce H2 (a sustainable fuel) from water and sunlight if appropriate photocatalysts are developed. Mixed-Anion chemistry has emerged in recent years with considerable potential to tune and/or enhance properties in various fields including water-splitting photocatalysis besides non-linear optical materials, magnetism, superconductors, etc.… Compared to oxides, the contribution of different anions in mixed anion photocatalysts expands the possibilities to engineer the band gap (width, band edge positions, charge carriers’ properties …) which is crucial to achieve efficient visible light water-splitting. Oxychalcogenides materials are since recently showing potential as alternative and stable candidates.
In this project we will explore a selection of layered oxychalcogenides in order to elaborate and study, both theoretically and experimentally, new photocatalysts trough anionic substitution and/or cationic substitution with a lone pair cation.
Ab initio methods (DFT simulations) and experimental techniques will be combined to characterize the electronic structure and understand the structure-properties relationships.
The candidate should have background in one or more of the following areas: Materials Science, solid state Chemistry, solid state Physics, theoretical chemistry
It is mandatory that the candidate should be interested in working with a combination of simulation and experimental techniques.
The candidate should have a very good English level (speaking and writing).
The project will be carried out at the Laboratory Institut des Matériaux de Nantes Jean Rouxel at Nantes Université in MIOPS team and will use the platform PLASSMAT and local/national computational resources
Starting: 10/2024 for 3 years contract
Gross salary: 2100 € (financial support from Nantes University)
Supervision and contacts
Houria Kabbour (IMN/MIOPS), [email protected]
Mayte Caldes (IMN/MIOPS), [email protected]
Clément Maheu (IMN-MIOPS/PCM), [email protected]