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Une opportunité de doctorat est disponible pour rejoindre le projet H2MAX sur le stockage d'hydrogène. Ce rôle impliquera des compétences en expérimentation et simulation numérique au sein d'une équipe interdisciplinaire, offrant une expertise enrichissante et de réelles perspectives d'employabilité.
Organisation/Company: Université Lorraine, CNRS, LEM3, IJL
Research Field: Technology > Materials technology, Physics
Researcher Profile: Recognised Researcher (R2), Leading Researcher (R4), First Stage Researcher (R1), Established Researcher (R3)
Country: France
Application Deadline: 30 Aug 2025 - 22:00 (UTC)
Type of Contract: Temporary
Job Status: Full-time
Offer Starting Date: 1 Oct 2025
Funding: Not funded by an EU programme
Research Infrastructure Staff Position: No
The doctoral researcher will be part of the team for the H2MAX project (Hydrogen storage mechanisms in MAX phases), funded by the Grand-Est region over 36 months.
This project aims to understand how the chemistry of the A and M elements and crystalline defects influence hydrogen storage in MAX phases and MXenes.
MAX phases are layered hexagonal carbides and nitrides with the formula Mₙ₊₁AXₙ, combining metallic and ceramic properties. MXenes are 2D materials derived from MAX phases, relevant for energy storage and catalysis.
The project focuses on specific MAX phases and MXenes, selected for their relevance to hydrogen storage and availability for synthesis, enabling comparison with ab initio simulations.
Experiments will utilize tools at LEM3, including hydrogen uptake measurements and microstructure characterization. Modeling will involve ab initio calculations using VASP on HPC facilities to compute H insertion and migration energies.
Development of a machine learning potential may also be pursued to model complex systems beyond ab initio methods, such as dislocation interactions or nanocomposites.
This interdisciplinary project requires skills in experimentation and numerical simulation, providing the doctoral researcher with comprehensive expertise and enhancing employability.
The required qualifications include a Master's degree in materials science or a related field, with a good understanding of materials science and condensed matter physics. Beneficial skills include experience in computational modeling, programming (Python), and microstructural characterization techniques like SEM, TEM, EBSD.