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Reference : UMR7313-MAYORI-003
Workplace : MARSEILLE 13
Date of publication : Tuesday, February 04, 2020
Type of Contract : FTC Scientist
Contract Period : 30 months
Expected date of employment : 1 April 2020
Proportion of work : Full time
Remuneration : 2600
Desired level of education : PhD
Experience required : 1 to 4 years
The recruited candidate will work on the study of the reaction mechanism of the reduction of protons into hydrogen by transition metal complexes with non-innocent ligands.
To this end, quantum chemical tools based on the functional density theory (DFT) will be used to understand the catalytic activity of these bioinspired complexes via the description of the key stages of their reaction mechanisms.
- Solid training in quantum chemistry (doctorate) with a particular interest in bioinorganic chemistry
- Good knowledge in electrochemistry and spectroscopy will be appreciated
The CODEC project aims to develop a general theoretical approach to predict the catalytic performance of bioinspired complexes for the production of hydrogen. Our goal is to understand the reaction mechanisms of our electrocatalysts by identifying the electronic parameters that govern their reactivity and by determining the structural elements essential for efficient hydrogen production. These theoretical studies will provide proof of concept that quantum chemistry can be used as a predictive tool to rationalize reactivity, improve catalytic activity and guide the design of new synthetic targets. This project is directly linked to one of the themes developed within the BiosCiences team at the Institute of Molecular Sciences in Marseille.
Constraints and risks
This project, funded by the ANR program, requires the recruitment of a person who masters theoretical approaches in order to be able to efficiently explore the modeling part of the project. This proposal consists of a 30-month postdoctoral fellowship starting in the first semester of 2020.
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