2 dft PhD positions at CNRS

PhD Offer: M/F Understanding the Extension of the MnO₂ Potential Window in an Ionic Liquid Medium: Theoretical and Experimental Approach

CNRS | Toulouse, Midi Pyrenees | France | 2 months ago

liquid environment. 1) Molecular Modeling - Study of interactions between MnO₂ and ionic liquids using Density Functional Theory (DFT) and Reactive Molecular Dynamics (ReaxFF). - Analysis of oxidation

PhD offer (M/F) - Sustainable and recyclable photoluminescent alkali lanthanide-free polyoxometalate salts for water detection

CNRS | Nantes, Pays de la Loire | France | 3 months ago

advanced structural analyses methods and DFT calculations the H-bonding networks involving water molecules and SbW6 units, responsible of PL quenching effects. - to optimize the recycling procedures