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Univ. Paris-Saclay
Sophie LE CAER

Sophie LE CAER

UMR 3685 NIMBE : Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Énergie

Laboratoire Interdisciplinaire sur l'Organisation Nanométrique et Supramoléculaire (LIONS)

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Function / Academic Degrees

CNRS Researcher (since 2005)

Research Director (since 2017)

French Chemical Society member

Member of the "CRRC bureau "(Division de Chimie Physique, bureau Chimie sous Rayonnement et RadioChimie)

Vice-chair of the Miller Trust Committee for Radiation Chemistry

  • 2016: Young researcher award of the Physical Chemistry Division of the French Chemical Society
  • Habilitation, 2012, Université de Paris-Sud, Orsay
  • Post-doctoral fellow, 2003-2005, CEA/Saclay
  • Ph.D., 2003, Université de Paris-Sud, Orsay, awarded by the mass spectrometry french society in 2004
  • Master, 2000, Université de Paris-Sud, Orsay
  • Holder of the Agregation (teaching degree) in Chemistry, 1999, France
  • Ecole Normale Supérieure de Cachan, full fellowship, 1996-2000

Domains of interest

Radiolysis as a tool to accelerate ageing in Lithium-ion batteries

Radiolysis in confined and heterogeneous media

Coupling irradiation with infrared spectroscopy to study reaction mechanisms induced by ionizing radiation

Static and ultrafast infrared spectroscopy to characterize hydrogen bonds in confined media



[74] "Behavior of Portlandite upon Exposure to Ionizing Radiation: Evidence of Delayed H2 Production", T. Herin, T. Charpentier, P. Bouniol, S. Le Caër, J. Phys. Chem. C, 127, 20245 (2023)

[73] "Impact of ionizing radiation on iodine capture by functionalized mesoporous silica", C. Rey, G. Zante, J. Causse, X. Deschanels, S. Le Caër, Rad. Phys. Chem., 212, 111192 (2023)

[72] "Predicting Degradation Mechanisms in Lithium Bistriflimide "Water-In-Salt" Electrolytes For Aqueous Batteries", M. Paillot, A. Wong, S. A. Denisov, P. Soudan, P. Poizot, B. Montigny, M. Mostafavi, M. Gauthier, S. Le Caër, ChemSusChem, e202300692 (2023)

[71] "UV-Visible photo-reactivity of permanently polarized inorganic nanotubes coupled to gold nanoparticles", S. Patra, F. Testard, F. Gobeaux, L. Sicard, D. Schaming, S. Le Caër, A. Thill, Nanoscale, 15, 4101 (2023)

[70] "Radiolysis of Electrolytes in Batteries: A Quick and Efficient Screening Process for the Selection of Electrolyte-Additive Formulations", Y. Levieux-Souid, J.-F. Martin, P. Moreau, N. Herlin-Boime, S. Le Caër, Small Methods, 2200712 (2022)

[69] "Influence of Polymorphism on the Electrochemical Behavior of Dilithium (2,3-Dilithium-oxy)-terephthalate vs. Li", L. Bernard, A. Jouhara, E. Quarez, Y. Levieux-Souid, S. Le Caër, P. Tran-Van, S. Renault, P. Poizot, Inorganics10, 62 (2022)

[68] "Grafted mesoporous silicas for radionuclide uptake: Radiolytic stability under electron irradiation", G. Zante, V. Bouniol, S. Sene, C. Rey, J. Causse, J. Larionova, Y. Guari, X. Deschanels, S. Le Caër, Microporous Mesoporous Mater., 336, 111851 (2022)

[67] "Experimental determination of the curvature-induced intra-wall polarization of inorganic nanotubes", M.-C. Pignié, S. Patra, L. Huart, A. R. Milosavljević, J. P. Renault, J. Leroy, C. Nicolas, O. Sublemontier, S. Le Caër, A. Thill, Nanoscale, 13, 19650 (2021)

[66] "Inorganic nanotubes with permanent wall polarization as dual photo-reactors for wastewater treatment with simultaneous fuel production", S. Patra, D. Schaming, P. Picot, M.-C. Pignié, J.-B. Brubach, L. Sicard, S. Le Caër, A. Thill, Environ. Sci.: Nano, 8, 2523 (2021)

[65] "Radiolytic Approach for Efficient, Selective and Catalyst-free CO2 Conversion at Room Temperature", C. Hu, S. Al Gharib, Y. Wang, P. Gan, Q. Li, S.A. Denisov, S. Le Caër, J. Belloni, J. Ma, M. Mostafavi, ChemPhysChem, 22, 1900 (2021). 

[64] "Reaction Mechanisms of the Degradation of Fluoroethylene Carbonate, an Additive of Lithium-Ion Batteries, Unraveled by Radiation Chemistry", M. Puget, V. Shcherbakov, S. Denisov, P. Moreau, J.-P. Dognon, M. Mostafavi, S. Le Caër, Chem. Eur. J., 27, 8185 (2021). 

[63] "La radiolyse comme outil de modification des matériaux d'électrode en vue d'améliorer leurs propriétés", N. Herlin-Boime, S. Le Caër, Actualité Chimique, 460-461, 132 (2021). 

[62] "Confined water radiolysis in aluminosilicate nanotubes: the importance of charge separation effects", M.-C. Pignié, V. Shcherbakov, T. Charpentier, M. Moskura, C. Carteret, S. Denisov, M. Mostafavi, A. Thill, S. Le Caër, Nanoscale, 13, 3092 (2021). Voir le communiqué et l'article dans Les Echos Innovation

[61] "Dynamics in hydrated inorganic nanotubes studied by neutron scattering: towards nanoreactors in water", S. Le Caër, M.-C. Pignié, Q. Berrod, V. Grzimek, M. Russina, C. Carteret, A. Thill, J.-M. Zanotti, J. Teixeira, Nanoscale Adv., 3, 789 (2021). 

[60] "Artificial Solid Electrolyte Interphase Formation on Si Nanoparticles through Radiolysis: Importance of the Presence of an Additive", C.S. Bongu, S. Surblé, J.P. Alper, A. Boulineau, J.-F. Martin, A. Demarque, P.-E. Coulon, M. Rosso, F. Ozanam, S. Franger, N. Herlin-Boime, S. Le CaërJ. Phys. Chem. C, 123, 28550 (2019). 

[59] "Influence of confinement on free radical chemistry in layered nanostructures", K. Ghandi, C. Landry, T. Du, M. Lainé, A. Saul, S. Le Caër, Sci. Rep., 9, 17165 (2019).

[58] "Key Role of the Oxidized Citrate-Free Radical in the Nucleation Mechanism of the Metal Nanoparticle Turkevich Synthesis", S. Al Gharib, J.-L. Marignier, A. K. El Omar, A. Naja, S. Le Caër, M. Mostafavi, J. Belloni, J. Phys. Chem. C, 123, 22624 (2019). 

[57] "Water Adsorption in Single- and Double-Walled Inorganic Nanotubes", Y. Liao, P. Picot, J.-B. Brubach, P. Roy, A. Thill, S. Le Caër, J. Phys. Chem. C, 123, 19768 (2019). 

[56] "Tuning the Nature of the Anion in Hydrated Layered Double Hydroxides for H2 Production under Ionizing Radiation", M. Lainé, Y. Liao, F. Varenne, P. Picot, L. J.  Michot, E. Barruet, V. Geertsen, A. Thill, M. Pelletier, J.-B. Brubach, P. Roy, S. Le Caër, ACS Appl. Nano Mater.1, 5246 (2018). 

[55] "Ex situ solid electrolyte interphase synthesis via radiolysis of Li-ion battery anode–electrolyte system for improved coulombic efficiency", F. Varenne, J. P. Alper, F. Miserque,  C. S. Bongu, A. Boulineau, J.-F. Martin, V. Dauvois, A. Demarque, M. Bouhier, F. Boismain, S. Franger, N. Herlin-Boime, S. Le Caër, Sustainable Energy Fuels, 2, 2100 (2018). 

[54] "Original behavior of pore water radiolysis in cement-based materials containing sulfide: Coupling between experiments and simulations",  P. Bouniol, W. Guillot, V. Dauvois, W. Dridi, S. Le Caër, Rad. Phys. Chem. 150, 172 (2018). 

[53] "Tuning the properties of confined water in standard and hybrid nanotubes: An infrared spectroscopic study", Y. Liao, P. Picot, M. Lainé, J.-B. Brubach, P. Roy, A. Thill, S. Le Caër, Nano Research, 11, 4759 (2018). 

[52] “Self-supporting thin films of imogolite and imogolite-like nanotubes for infrared spectroscopy”, Y. Liao, P. Picot, J.-B. Brubach, P. Roy, S. Le Caër, A. Thill, Applied Clay Sci., 164, 58 (2018).

[51] “Degradation of an ethylene carbonate/diethyl carbonate mixture by using ionizing radiation”, F. Wang, F. Varenne, D. Ortiz, V. Pinzio, M. Mostafavi, S. Le Caër, ChemPhysChem, 18, 2799 (2017).

[50] “Observation and Simulation of Transient Anion Oligomers (LiClO4)n (n = 1−4) in Diethyl Carbonate LiClO4 Solutions”, F. Wang, P. Pernot, P. Archirel, U. Schmidhammer, D. Ortiz, S. Le Caër, M. Mostafavi, J. Phys. Chem. B, 121, 7464 (2017).

[49] “Production of H2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study”, S. Le Caër, L. Dezerald, K. Boukari, M. Lainé, S. Taupin, R. M. Kavanagh, C. S. N. Johnston, E. Foy, T. Charpentier, K. J. Krakowiak, R. J.-M. Pellenq, F. J. Ulm, G. A. Tribello, J. Kohanoff, A. Saúl, Cement Concrete Res., 100, 110 (2017).

[48] “La radiolyse comme outil de vieillissement accéléré des electrolytes utilisés dans les batteries lithium-ion”, S. Le Caër, Actualité Chimique, 416, 26 (2017).

[47] “In situ and time-resolved infrared detection of the reactivity induced by electrons in polymer films”, M. Bouhier, G. Vigneron, Y. Ngono-Ravache, M. Shirdhonkar, J. P. Renault, S. Le Caër, Rev. Sci. Instrum., 88, 034102 (2017).

[46] “Reaction mechanisms in swelling clays under ionizing radiation: influence of the water amount and of the nature of the clay mineral”, M. Lainé, E. Balan, T. Allard, E. Paineau, P. Jeunesse, M. Mostafavi, J.-L. Robert, S. Le Caër, RSC Adv., 7, 526 (2017).

[45] “Ionosilicas as Efficient Sorbents for Anionic Contaminants: Radiolytic Stability and Ion Capacity”, U.D. Thach, P. Hesemann, G. Yang, A. Geneste, S. Le Caër, B. Prelot, J. Colloid Interface Sci., 482, 233 (2016).

[44] "Role of PF6- in the radiolytical and electrochemical degradation of propylene carbonate solutions", D. Ortiz, I. Jimenez Gordon, S. Legand, V. Dauvois, J.-P. Baltaze, J.-L. Marignier, J.-F. Martin, J. Belloni, M. Mostafavi, S. Le Caër, J. Power Sources, 326, 285 (2016).

[43] "Gamma irradiation effects on the properties of indium zinc oxide thin films", D. Craciun, G. Socol, S. Le Caër, L.M. Trinca, A.C. Galca, D. Pantelica, P. Ionescu, V. Craciun, Thin Solid Films, 614, 2 (2016).

[42] “Picosecond pulse radiolysis of propylene carbonate as a solute in water and as a solvent”, J.-L. Marignier, F. Torche, S. Le Caër, M. Mostafavi, J. Belloni, J. Phys. Chem. B, 120, 2388 (2016).

[41] “Identification of transient radical anions Li(ClO4)n- in THF solutions: experimental and theoretical investigation on electron localization in oligomers”, J. Ma, P. Archirel, P. Pernot, U. Schmidhammer, S. Le Caër, M. Mostafavi, J. Phys. Chem. B, 120, 773 (2016).

[40] “Reaction mechanisms in talc under ionizing radiation: evidence of a high stability of H atoms”, M. Lainé, E. Balan, Th. Allard, F. Martin, H.J. von Bardeleben, J.-L. Robert, S. Le Caër, J. Phys. Chem. C, 120, 2087 (2016).

[39] “Ultrafast decay of the solvated electron in a neat polar solvent: the unusual case of propylene carbonate”, S. Le Caër, D. Ortiz, J.-L. Marignier, U. Schmidhammer, J. Belloni, M. Mostafavi, J. Phys. Chem. Lett., 7, 186 (2016).  Voir aussi le communiqué

[38] “Electrolytes ageing in Lithium-ion batteries: a mechanistic study from picosecond to long timescales”, D. Ortiz, I. Jimenez Gordon, J.P. Baltaze, O. Hernandez-Alba, S. Legand, V. Dauvois, G. Si Larbi, U. Schmidhammer, J.-L. Marignier, J.-F. Martin, J. Belloni, M. Mostafavi, S. Le Caër, ChemSusChem, 8, 3605 (2015). Voir la couverture

[37] "Radiolysis as a solution for accelerated ageing studies of electrolytes in Lithium-ion batteries", D. Ortiz, V. Steinmetz, D. Durand, S. Legand, V. Dauvois, P. Maître, S. Le Caër, Nat. Comm., 6, DOI: 10.1038/ncomms7950 (2015). Voir le communiqué

[36] “The effect of myoglobin crowding on the dynamics of water: an infrared study”, S. Le Caër, G. Klein, D. Ortiz, M. Lima, S. Devineau, S. Pin, J.-B. Brubach, P. Roy, S. Pommeret, W. Leibl, R. Righini, J. P. Renault, Phys. Chem. Chem. Phys., 16, 22841 (2014).

[35] “Electron transfer at oxide/water interfaces induced by ionizing radiation”, E. Chelnokov, V. Cuba, D. Simeone, J.-M. Guigner, U. Schmidhammer, M. Mostafavi, S. Le Caër, J. Phys. Chem. C, 118, 7865 (2014).

[34] "Influence of the nature of self-assembled monolayers on their reactivity under ionizing radiation: a solid-state NMR study”, S. Le Caër, F. Brunet, C. Chatelain, L. Ladevie, D. Durand, V. Dauvois, J. Ph. Renault, T. Charpentier, J. Phys. Chem. C, 117, 23258 (2013)

[33] “Water radiolysis in exchanged-montmorillonites: the H2 production mechanisms”, C. Fourdrin, H. Aarrachi, C. Latrille, S. Esnouf, F. Bergaya, S. Le Caër, Environ. Sci. Technol., 47, 9530 (2013).

[32] "Grazing incidence X−ray diffraction for the study of polycrystalline layers", D. Simeone, G. Baldinozzi, D. Gosset, S. Le Caer, J.−F. Bérar, Thin Solid Films, 530, 9 (2013)

[31] “Dynamics of water confined in clay minerals”, S. Le Caër, M. Lima, D. Gosset, D. Simeone, F. Bergaya, S. Pommeret, J.-Ph. Renault, R. Righini, J. Phys. Chem. C, 116, 12916 (2012).

[30] “Experimental and theoretical study of the degradation of malonamide extractant molecules under ionizing radiation”, S. Le Caër, G. Vigneron, D. Guillaumont, L. Berthon, N. Zorz, P. Moisy, RSC Advances, 2, 3954 (2012).

[29] "Modifications under irradiation of a self-assembled monolayer grafted on a nanoporous silica glass: a solid-state NMR characterization”, S. Le Caër, F. Brunet, C. Chatelain, D. Durand, V. Dauvois, T. Charpentier, J. Ph. Renault, J. Phys. Chem. C, 116, 4748 (2012)

[28] "A trapped water network in nanoporous material: the role of interfaces", S. Le Caër, S. Pin, S. Esnouf, Q. Raffy, J. Ph. Renault, J.−B. Brubach, G. Creff, P. Roy, Phys. Chem. Chem. Phys., 13, 17658 (2011).

[27] “Water radiolysis: influence of oxide surfaces on H2 production under ionizing radiation”, S. Le Caër, Water, 3, 235 (2011)

[26] “H2 formation by electron irradiation of SBA-15 materials and the effect of CuII impregnation”, N. Brodie-Linder, S. Le Caër, M.S. Alam, J.P. Renault, C. Alba-Simionesco, Phys. Chem. Chem. Phys, 12, 14188 (2010)

[25] “The key to control Cu II loading in silica based mesoporous materials” N. Brodie-Linder, R. Besse, F. Audonnet, S. LeCaer, J. Deschamps, M. Impéror-Clerc, C. Alba-Simionesco, Microporous and Mesoporous Materials, 132, 518 (2010)

[24] “Water reduction by photoexcited silica and alumina”, R. Musat, G. Vigneron, D. Garzella, S. LeCaër, J. F. Hergott, J. P. Renault, S. Pommeret, Chem. Comm., 46, 2394 (2010). 

[23] “Finite size effects on hydrogen bonds in confined water”, R. Musat, J.P. Renault, M. Candelaresi, D.J. Palmer, S. Le Caër, R. Righini, S. Pommeret, Angew. Chem.- Int. Ed, 47, 8033 (2008).

[22] “Effect of the energy deposition modes on the structural stability of pure zirconia”, D. Simeone, G. Baldinozzi, D. Gosset, S. LeCaër, L. Mazerolles, I. Monnet, S. Bouffard, Nucl. Instr. and Meth. Phys. Res. B, 266, 3023, (2008). 

[21] “Solid state NMR characterization of a controlled-pore glass and of the effects of electron irradiation”, F. Brunet, T. Charpentier, S. Le Caër, J.P. Renault, Solid State Nucl. Magn. Reson., 33, 1, (2008).  

[20] “Hydrogen peroxide formation in the radiolysis of hydrated nanoporous glasses: a low and high dose rate study”, S. Le Caër, J.P. Renault, J.-C. Mialocq, Chem. Phys. Lett., 450, 91, (2007)

[19] “Time-resolved studies of water dynamics and proton transfer at the alumina-air interface”, S. Le Caër, J. Palmer, M. Lima, J.P. Renault, G. Vigneron, R. Righini, S. Pommeret, J. Am. Chem. Soc., 129, 11720 (2007).

[18] “Radiolysis of ferrocyanide solutions studied by infrared spectroscopy”, S. Le Caër, G. Vigneron, J. P. Renault and S. Pommeret, Rad. Phys. Chem, 76, 1280, (2007).  

[17] ”Evidence of extended defects in pure zirconia irradiated by swift heavy ions”, G. Baldinozzi, D. Simeone, D. Gosset, I. Monnet, S. Le Caër, L. Mazerolles, Phys. Rev. B., 74, 132107, (2006).  

[16] “An experimental study of the mechanism for the combined C–H and C–O bond activation of dimethylether by bare Fe+ ions”, S. LeCaër, H. Mestdagh, D. Schröder, W. Zummack, H. Schwarz, Int. Journ. Mass Spect, 255-256, 239, (2006).

[15] "Mechanism of C-O activation in dimethoxyethane cationic iron complexes", S. Le Caër, M. Heninger, P. Pernot, H. Mestdagh, J. Phys. Chem. A, 110, 9654, (2006). 

[14] “Phase transition of pure zirconia under irradiation: A textbook example”, D. Simeone, G. Baldinozzi, D. Gosset, S. Le Caër, Nucl. Instr. and Meth. Phys. Res. B, 250, 95, (2006). 

[13] “First coupling between a LINAC and FT-IR spectroscopy: the aqueous ferrocyanide system”, S. Le Caër, G. Vigneron, J. P. Renault, S. Pommeret, Chem. Phys. Lett., 426, 71, (2006)

[12] “Hydroxyl radical yields in the tracks of high energy 13C6+ and 36Ar18+ ions in liquid water”, G. Baldacchino, G. Vigneron, J.P. Renault, S. Le Caër, S. Pin, J.-C. Mialocq, E. Balanzat, S. Bouffard, Nucl. Instrum. Methods Phys. Res. B, 245, 288, (2006).

[11] “Radiolysis of confined water: Hydrogen production at a high dose rate”, S. Le Caër, P. Rotureau, F. Brunet, T. Charpentier, G. Blain, J. P. Renault, J.-C. Mialocq, ChemPhysChem, 6, 2585, (2005).

[10] "Impact of radiation defects on the structural stability of pure zirconia", D. Simeone, G. Baldinozzi, D. Gosset, S. LeCaër, L. Mazerolles,  Phys. Rev. B, 70, 134116, (2004).

[9] "Structural characterization of selectively prepared cationic iron complexes bearing monodentate and bidentate ether ligands using infrared photodissociation spectroscopy", S. Le Caër, M. Heninger, J. Lemaire, P. Boissel, P. Maître, H. Mestdagh, Chem. Phys. Lett., 385, 273, (2004). 

[8] “Spectroscopie infra-rouge d’ions piégés”, J. Lemaire, P. Boissel, M. Heninger, H. Mestdagh, G. Mauclaire, S. Le Caër, J.M. Ortega, P. Maître, Spectra Analyse, 32, 28, (2003). 

[7] "First ultrasensitive spectroscopy of ionic reactive intermediates in gas phase performed by coupling of an IR FEL with a FT-ICR", J. Lemaire, H. Mestdagh, M. Heninger, G. Mauclaire, P. Boissel, J. M. Ortega, R. Prazeres, F. Glotin, P. Maître, S. Le Caër, A. Simon, W. Jones, Nucl. Instrum. Methods Phys. Res. A, 507, 541 (2003).

[6] "Condensation reaction vs. ligand exchange with first-row transition metal cations: a theoretical study of Cu+ heteroleptic model complexes", S. Le Caër, H. Mestdagh, P. Maître, Int. Journ. Mass Spect., 227, 587 (2003).

[5] "Accurate measurement of the relative bond energies of CO and H2O ligands in Fe+ mono- and bis-ligated complexes", S. Le Caër, M. Heninger, P. Maître, H. Mestdagh, Rap. Comm. Mass Spect., 17, 351 (2003).

[4] "Gas phase infrared spectroscopy of selectively prepared ions", J. Lemaire, P. Boissel, M. Heninger, G. Mauclaire, G. Bellec, H. Mestdagh, A. Simon, S. Le Caër, J. M. Ortega, F. Glotin and P. Maitre, Phys. Rev. Lett., 89, 273002 (2002).

[3] "Successive reactions of iron carbonyl cations with dimethylether: direct cleavage versus rearrangement", S. Le Caër, M. Heninger, P. Pernot, H. Mestdagh, Phys. Chem. Chem. Phys., 4, 1855 (2002).

[2] "Successive reactions of iron carbonyl cations with H2O: influence of a buffer gas on ligand substitution reaction", S. Le Caër, M. Heninger, H. Mestdagh, Chem. Phys. Lett., 352, 393 (2002).

[1] "Influence de l'énergie interne sur la réactivité de l'ion Fe(CO)2+ avec le diméthyléther, étudiée dans un spectromètre de masse FT-ICR", S. Le Caër, P. Pernot, M. Heninger, H. Mestdagh, C. R. Chimie, 5, 119 (2002). 

Book chapter

[1] “Infrared spectroscopy and Radiation chemistry”, S. Le Caër, S. Pin, J. P. Renault, G. Vigneron, S. Pommeret in “Recent Trends in Radiation Chemistry”, Eds. J.F. Wishart, B.S.M. Rao, World Scientific Publishing (2010), p.201-229.


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