Theoretical investigation of bio-inspired hydrogen evolution catalysts
The present proposal is a 12 month-postdoctoral funding starting during the first semester of 2019. The recruited candidate will work on deciphering the reaction mechanism of proton reduction by dithiolato-bridged heterobimetallic NiFe complexes. For that purpose, quantum chemical tools mainly based on Density Functional Theory (DFT) will be used to understand the catalytic activity of the bio-inspired complexes by unraveling the key-steps of their reaction mechanism. The goal of this computational study is to identify the electronic parameters that govern the reactivity of known catalysts and determine the crucial structural elements to achieve efficient hydrogen production and guide the design of new synthetic targets.
Message: We are looking for a good post-doctorate candidate to work in Marseille as soon as possible on the theoretical investigation of bio-inspired hydrogen evolution catalysts. The position is funded by the ANR/DFG program and the project is an international cooperation between France and Germany.
For further details, see attachment
KeyWords: hydrogenase, proton reduction, quantum chemistry, mechanism, catalysis
Deadline: January 2019 the 31thPostdoc-proposal-ORIO
Expires on Thursday January 31st, 2019