Postdoctoral position: High valent iron for energy applications, spectroscopic characterization and DFT methods

Keywords: Iron, high valence, Mössbauer and X-ray Absorption/Emission spectroscopies, DFT calculations, Energy materials.

Scientific project:
The French network for electrochemical energy storage (RS2E) develops new materials, devices and analytical tools for energy storage and conversion. The fine characterization of materials and the understanding of reaction mechanisms are at the heart of RS2E’s research efforts.


The use for affordable transition metals such as iron is one of the current challenges for the development of Li-ion batteries. Iron could replace cobalt only if high operating voltage can be reached.
In this perspective, materials involving Fe4+ and/or Fe5+ centers might be of high interest. Their characterization, however, is not at all straightforward. It is therefore important to build a multianalytical approach in order to establish reliable criteria to finely characterize the physico-chemical, electronic and magnetic properties of high valence iron compounds. This will need a global strategy including both laboratory and synchrotron analytical tools accompanied by a computational approach.

Tasks:

• Critical review of known high valence iron materials
• Identify the most promising materials for energy storage and conversion applications
• Synthesis of model compounds such as ferrates, perovskites and lamellar oxides (in close collaboration with specialized chemists of the RS2E network)
• Multi-analytical characterization of model compounds (Diffraction methods, Mössbauer spectroscopy, XAS, XES, Magnetic analyses)
• Use of appropriate DFT methods to predict and interpret the spectroscopic features of high valence iron compounds
• Combine experimental and DFT results to establish reliable criteria to finely characterize the electronic and magnetic structure of high valence iron

• PhD in physics, chemistry or materials science ideally focusing on spectroscopic and/or DFT methods
• Candidates with both theoretical and experimental backgrounds are welcome
• Knowledge in fundamental physico-chemical properties of materials. Experience in crystallography and/or synchrotron-based spectroscopies with tender and/or hard X-rays will be appreciated.
• Excellent oral and written communication skills (in English)

Details of the postdoctoral position:

Only applicants with less than 24 months experience are eligible (PhD after December 2016)
Duration: 12 months (a second year can be granted on the basis of the obtained results)
Start: ASAP
Salary: ~ 2500 € per month before taxes (2000 € after taxes)
Location: Institut Charles Gerhardt, Montpellier (France).
Contact: Please send a detailed CV to Prof. Lorenzo STIEVANO and Dr Moulay T. SOUGRATI (This email address is being protected from spambots. You need JavaScript enabled to view it. and This email address is being protected from spambots. You need JavaScript enabled to view it.)
Funding: The project is funded by the French research network on electrochemical energy storage (RS2E), France’s national research network in the field of energy storage bringing together 17 public research labs and 14 industrial partners

More infos: http://www.energie-rs2e.com and https://www.icgm.fr/en/