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 Experimentally Validated Three-Dimensional Modeling of Organic-Based Sodium-Ion Battery Electrode Manufacturing Teo Lombardo, Fanny Lambert, Roberto Russo, Franco M. Zanotto, Christine Frayret, Gwenaelle Toussaint, Philippe Stevens, Matthieu Becuwe, Alejandro A. Franco Batteries & Supercaps, 2022 Photochromism in inorganic crystallised compounds Y. Badour, V. Jubera, I. Andron, C. Frayret, M. Gaudon Optical Materials: X, 2021 Photo-activated emitting defects in the Ce-doped CaSnF6 fluoride Ines Andron, Christine Frayret, Manuel Gaudon, Alexandre Fargues, Etienne Durand, Mathieu Duttine, Olivier Toulemonde, Véronique Jubera Materials Research Bulletin, 2021 Improvement of the photochromism taking place on ZnO / MoO3 combined material interfaces. Ines Andron , Léa Marichez, Veronique Jubera, Alexandre Fargues, Christine Frayret, Manuel Gaudon Materials Advances, 2021 Photochromic Behavior of ZnO/MoO3 Interfaces Ines Andron, Léa Marichez, Véronique Jubera, Christine Labrugère, Mathieu Duttine, Christine Frayret, Manuel Gaudon ACS Applied Materials & Interfaces, 2020 A tool for deciphering the redox potential ranking of organic compounds: a case study of biomass-extracted quinones for sustainable energy Fanny Lambert, Yann Danten, Carlo Gatti, Christine Frayret Physical Chemistry Chemical Physics, 2020 Boosting Rechargeable Batteries R&D by Multiscale Modeling: Myth or Reality? Alejandro A. Franco, Alexis Rucci, Daniel Brandell, Christine Frayret, Miran Gaberscek, Piotr Jankowski, Patrik Johansson Chemical Reviews, 2019 CaSn(OH)6 hydroxides, CaSnO3 oxides and CaSnF6 fluorides: Synthesis and structural filiation. Cationic environment impact on Pr3+ doped compounds luminescence Manuel Gaudon, Guillaume Salek, Malang Kande, Ines Andron, Christine Frayret, Etienne Durand, Nicolas Penin, Mathieu Duttine, Alain Wattiaux, Véronique Jubera Journal of Solid State Chemistry, 2018 Decreasing redox voltage of terephthalate-based electrode material for Li-ion battery using substituent effect A.E. Lakraychi, F. Dolhem, F. Djedaïni-Pilard, A. Thiam, C. Frayret, M. Becuwe Journal of Power Sources, 2017 Electronic structure and energy decomposition analyses as a tool to interpret the redox potential ranking of Naphtho-, Biphenyl- and Biphenylene-quinone isomers Daniele Tomerini, Olivier Politano, Carlo Gatti, Christine Frayret Physical Chemistry Chemical Physics, 2016 Playing with isomerism and N substitution in pentalenedione derivatives for organic electrode batteries: how high are the stakes? D. Tomerini, C. Gatti, C. Frayret Physical Chemistry Chemical Physics, 2016 Engineering of unsubstituted quinoid-like frameworks enabling 2 V vs. Li(+)/Li redox voltage tunability and related derivatives D. Tomerini, C. Gatti, C. Frayret Physical Chemistry Chemical Physics, 2015 Relating Electrochemistry of New Organic Materials for Batteries and Fundamental Understanding through DFT Calculations C. Frayret, D. Tomerini, C. Gatti, Y. Danten, M. Becuwe, F. Dolhem, P. Poizot Advances in Science and Technology, 2014 Experimental and theoretical studies of tetramethoxy-p-benzoquinone: infrared spectra, structural and lithium insertion properties G. Bonnard, A. L. Barres, Y. Danten, D. G. Allis, O. Mentre, D. Tomerini, C. Gatti, EI. Izgorodina, P. Poizot, C. Frayret RSC Advances, 2013 The low/room-temperature forms of the lithiated salt of 3,6-dihydroxy-2,5-dimethoxy-p-benzoquinone: a combined experimental and dispersion-corrected density functional study G. Bonnard, AL. Barres, O. Mentre, DG. Allis, C. Gatti, P. Poizot, C. Frayret CrystEngComm, 2013 Electrochemical properties of crystallized dilithium squarate: insight from dispersion-corrected density functional theory C. Frayret, E.I. Izgorodina, D. MacFarlane, A. Villesuzanne, A.L. Barres, O. Politano, D. Rebeix, P. Poizot Physical Chemistry Chemical Physics, 2012 High-Potential Reversible Li Deintercalation in a Substituted Tetrahydroxy-p-benzoquinone Dilithium Salt: An Experimental and Theoretical Study A-L. Barres, J.Q. Geng, G. Bonnard, S. Renault, S. Gottis, O. Mentre, C. Frayret, F. Dolhem, P. Poizot Chemistry - A European Journal, 2012 A density Functional Study of Oxygen Mobility in Ceria-Based Materials C. Frayret, A. Villesuzanne, M. Pouchard, F. Mauvy, J.-M. Bassat, J.-C. Grenier Defect and Diffusion Forum, 2012 Preparation and Characterization of a Stable FeSO4F-Based Framework for Alkali Ion Insertion Electrodes N. Recham, G. Rousse, M.T. Sougrati, JN. Chotard, C. Frayret, S. Mariyappan, BC. Melot, J-C. Jumas, JM. Tarascon Chemistry of Materials, 2012 LiMSO4F (M = Fe, Co and Ni): promising new positive electrode materials through the DFT microscope FRAYRET, Christine; VILLESUZANNE, Antoine; SPALDIN, Nicola; BOUSQUET, Eric; CHOTARD, Jean-Noël; RECHAM, Nadir; TARASCON, Jean-Marie Physical Chemistry Chemical Physics, 2010 Comparative Studies on the Phase Stability, Electronic Structure, and Topology of the Charge Density in the Li3XO4 (X = P, As, V) Lithium Orthosalt Polymorphs Christine Frayret; Antoine Villesuzanne; Jean-Marie Tarascon; Christian Masquelier; Mathieu Morcrette Chemistry of Materials, 2009