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Portail > Offres > Offre UMR6303-CELDUP-001 - Chercheur post-doctoral (H/F) sur la modélisation de la maghémite dopée

Post-doctoral position (H/F) on ab initio modelling of doped maghemite

This offer is available in the following languages:
Français - Anglais

Date Limite Candidature : jeudi 27 janvier 2022

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General information

Reference : UMR6303-CELDUP-001
Workplace : DIJON
Date of publication : Thursday, January 6, 2022
Type of Contract : FTC Scientist
Contract Period : 18 months
Expected date of employment : 1 February 2022
Proportion of work : Full time
Remuneration : 2663 raw
Desired level of education : PhD
Experience required : 1 to 4 years

Missions

In the framework of OPTYMAL (Operando and in-situ specTroscopies for renewable energy MateriaLs) ANR, we plan to combine different experimental spectroscopies with ab initio calculations in order to improve the molecular understanding of materials interfaces. Among materials of interest, one can mention iron oxides, well-known for solar energy conversion. During the OPTYMAL project, SPEC group from CEA Saclay will synthetize maghemite (ɣ-Fe2O3) either pure or Ni-doped by epitaxial growth on a platinum substrate. These samples will be analyzed by several spectroscopic techniques.

In consistency with these experiments, the aim of this post-doc will be to theoretically investigate the epitaxial growth of Ni-doped maghemite on platinum, by comparison with pure maghemite. After a first part dedicated to structural and electronical analysis of the materials, the influence of the environment, more particularly the presence of water will be considered.

Activities

The recruited candidate will have to :
- do a comprehensive bibliography of the state of art
- perform suitable calculations
- analyze results
- write papers on obtained results

Skills

The candidate must have a good background in solid-state chemistry and quantum chemistry. A good knowledge of oxide modelling would be an advantage. Knowledge of VASP is required.

Work Context

This position will be in the framework of the OPTYMAL ANR in collaboration with CEA Saclay and synchrotron SOLEIL

Constraints and risks

The candidate will be located in a ZRR laboratory

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