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Main Research Activities

Associate Prof. Christine Frayret runs several research activities within the general area of Materials Science. Her investigations are mainly centred on the discovery and understanding of improved or innovative inorganic or organic compounds. She currently takes parts in various projects, especially for Li-ion batteries and potential next generation energy storage devices involving novel eco-friendly electrodes. Her present main interest is to develop structure-property/activity relationships as well as models for the elucidation of mechanisms related to redox reactivity, ion transport and electron conduction, … By calling to numerical modelling using especially the methods provided by Quantum Mechanics and by scrutinizing the electronic structure of crystalline materials, molecules and clusters, her principal objective is to identify guidelines for the design of energy related materials.

Main research interest :
  • Electrode/electrolyte materials for battery/fuel cell set-ups – Materials for optics
  • Quantum chemical calculations devoted to the properties study of molecules and periodic solids
  • Electronic structure evaluation/interpretation of molecules, clusters and crystals
  • Quantum theory of atoms in molecules
  • Chemical bonding – Structure-property relationship

Academic Training

  • Associate Professor at the University of Picardy Jules Verne – Laboratory of Reactivity and Chemistry of Solids, UMR 7314, 2006-
  • Postdoctoral and teaching/research assistant position, Institute of Chemistry of the Condensed Matter of Bordeaux, UPR 9048, 2004-2006
  • PhD. in Chemical Sciences – Condensed matter physical chemistry, Institute of Chemistry of the Condensed Matter of Bordeaux, UPR 9048, 2001-2004
  • Master of Science (M. Sc.), University of Bordeaux 1, 2001

Professional skills

Inorganic and physical chemistry, Materials/molecules modelling, Density Functional Theory calculations

Running Projects

  • Project funded by the Picardy area (France), “MODELBAT” (Modelling of organic electrode materials for Li-ion battery), 2013-2016
  • ANR VOLTA (Developing a 2V all organic battery set-up), 2014-2017
  • ANR PRIDE (Photochromic Inorganic Fluorides), 2017-2022

High-Output-Voltage and -Energy-Density All- Organic Dual-Ion Battery Using Molecular Thianthrene

Roberto Russo, Jean-Noël Chotard, Gregory Gachot, Christine Frayret, Gwenaelle Toussaint, Philippe Stevens, and Matthieu Becuwe

ACS Energy Letters, 2023

Carbonyl-Based Redox-Active Compounds as Organic Electrodes for Batteries: Escape from Middle–High Redox Potentials and Further Improvement?

Fanny Lambert, Yann Danten, Carlo Gatti, Bryan Bocquet, Alejandro A. Franco, and Christine Frayret

The Journal of Physical Chemistry A, 2023

Atomic groups decomposition of charge transfer excitations global indexes

C. Gatti, Y. Danten and C. Frayret

The Journal of Physical Chemistry A, 2022

Emission colours of bistable photochromic compounds: Ce-doped alkaline (Rb, K, Na)–indium fluorides

M. Gaudon, I. Andron, A. Demourgues, V. Rodriguez, A. Fargues, E. Durand, A. Chiron, C. Frayret and V. Jubera

Materials Advances, 2022

N-substituted carbazole derivates salts as stable organic electrodes for anion insertion

R. Russo, M. Rajesh, A. Jamali, J.N. Chotard, G. Toussaint, C. Frayret, P. Stevens, M. Bécuwe

Chemnanomat, 2022

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