Post-Doc Position On Ab Initio Modelling Of Doped Maghemite

Universities and Institutes of France

France

December 12, 2021

Description

  • Organisation/Company: Université de Bourgogne Franche Comté
  • Research Field: Chemistry › Computational chemistry
  • Researcher Profile: Recognised Researcher (R2) Established Researcher (R3)
  • Application Deadline: 12/12/2021 12:00 - Europe/Brussels
  • Location: France › DIJON
  • Type Of Contract: Temporary
  • Job Status: Full-time
  • Hours Per Week: 35
  • Offer Starting Date: 03/01/2022
  • 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.

    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.

    Application:

    Interested candidates must send a CV, a list of publications and recommendation letters to:

    Dr. Céline DUPONT celine.dupont@u-bourgogne.fr (+33) (0)3.80.39.61.57

    Period: 12 months

    Salary: based on experience

    Location: Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB) in Dijon (FRANCE), in close collaboration with CEA (Saclay) and SOLEIL Synchrotron, in the framework of ANR OPTYMAL

    Offer Requirements
  • REQUIRED EDUCATION LEVEL
  • Chemistry: PhD or equivalent

    Skills/Qualifications

    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.

    Contact Information
  • Organisation/Company: Université de Bourgogne Franche Comté
  • Department: Chemistry - Interfaces - Laboratoire ICB
  • Organisation Type: Research Laboratory
  • Website: https: // icb.u-bourgogne.fr/
  • E-Mail: celine.dupont@u-bourgogne.fr
  • Country: France
  • City: DIJON
  • Postal Code: 21078
  • Street: 9 Avenue Alain Savary
  • Phone: +33380396157
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