Marie-Liesse Doublet

Publications

Article dans une revue (82)

Chlorine Substitution in Disordered Rock Salt Li-Rich Transition Metal Sulfides Michael A Spencer,Nguyen Quan Dao,Taegyu Yun,Juan Forero-Saboya,German Lavyginet al. Chemistry of Materials, 2026, 38 (7), pp.3545-3555. ⟨10.1021/acs.chemmater.5c03365⟩ Article dans une revue hal-05596828v1
Clarifying the origin of molecular O2 in cathode oxides Xu Gao,Biao Li,Kurt Kummer,Andrey Geondzhian,Dmitry Aksyonovet al. Nature Materials, 2025, 24, pp.743-752. ⟨10.1038/s41563-025-02144-7⟩ Article dans une revue hal-04994524v1
Correction to “AMOEBA Polarizable Force Field for Molecular Dynamics Simulations of Glyme Solvents” Tobias Binninger,Defne Saraç,Liam Marsh,Tanguy Picard,Marie-Liesse Doubletet al. Journal of Chemical Theory and Computation, 2025, 21 (2), pp.1015-1015. ⟨10.1021/acs.jctc.5c00012⟩ Article dans une revue hal-04923219v1
Improved modeling of battery electrolytes: betting on model fitting or quantum effects? Defne Saraç,Diego Moreno Martinez,Marie-Liesse Doublet,Christophe Raynaud Physical Chemistry Chemical Physics, 2025, 27 (37), pp.20084-20091. ⟨10.1039/D5CP01631B⟩ Article dans une revue hal-05281804v1
Elucidating Salt Conversion Mechanisms of Lithiated Transition Metal Oxide for Lithium-ion Batteries Recycling Lydia Hamitouche,Clara Robert,Anne-Laure Rollet,Valérie Briois,Mohamed Selmaneet al. Chemistry of Materials, 2024, 36 (5), pp.2544-2553. ⟨10.1021/acs.chemmater.4c00024⟩ Article dans une revue hal-04526462v1
Crystallographic Dimensionality Determines the Electrochemical Reaction Mechanism in Alkali Transition-Metal Chlorides Michael Spencer,Tae Gyu Yun,Marguerite Flynn,Marie-Liesse Doublet,Alexis Grimaud Journal of the American Chemical Society, 2024, 146 (46), pp.32059-32071. ⟨10.1021/jacs.4c13005⟩ Article dans une revue hal-04801098v1
Effect of the Nature of Both Cation and Anion Substitution on the Structural Symmetry of Li‐Rich 3 d ‐Metal Chalcogenide Electrodes Jacques Louis,Clara Robert,Bernhard Leube,Anshuman Chaupatnaik,Neelam Sunariwalet al. Advanced Energy Materials, 2023, 13 (45), pp.2302158. ⟨10.1002/aenm.202302158⟩ Article dans une revue hal-04458816v1
AMOEBA Polarizable Force Field for Molecular Dynamics Simulations of Glyme Solvents Tobias Binninger,Defne Saraç,Liam Marsh,Tanguy Picard,Marie-Liesse Doubletet al. Journal of Chemical Theory and Computation, 2023, 19 (3), pp.1023-1034. ⟨10.1021/acs.jctc.2c00926⟩ Article dans une revue hal-03991675v1
Rationalizing the alkali ions distribution along the honeycomb layered (Li,Na)2SnO3 pseudo solid solution Romain Berthelot,Carla Crobu,Eunice Mumba Mpanga,Bernard Fraisse,Marie-Liesse Doublet Progress in Solid State Chemistry, 2023, 70, pp.100403. ⟨10.1016/j.progsolidstchem.2023.100403⟩ Article dans une revue hal-04118837v1
Unlocking cell chemistry evolution with operando fibre optic infrared spectroscopy in commercial Na(Li)-ion batteries C. Gervillié-Mouravieff,C. Boussard-Plédel,Jiaqiang Huang,C. Leau,L. Albero Blanqueret al. Nature Energy, 2022, 7 (12), pp.1157-1169. ⟨10.1038/s41560-022-01141-3⟩ Article dans une revue hal-03850597v1
The Ir-OOOO-Ir Transition State and the Mechanism of the Oxygen Evolution Reaction on IrO 2 (110) Tobias Binninger,Marie-Liesse Doublet Energy & Environmental Science, 2022, 15 (6), pp.2519-2528. ⟨10.1039/D2EE00158F⟩ Article dans une revue hal-03835182v1
Access to Ru(IV)–Ru(V) and Ru(V)–Ru(VI) Redox in Layered Li 7 RuO 6 via Intercalation Reactions Haifeng Li,Beata Taudul,Grant Alexander,John Freeland,Marie-Liesse Doubletet al. Chemistry of Materials, 2022, 34 (8), pp.3724-3735. ⟨10.1021/acs.chemmater.2c00043⟩ Article dans une revue hal-03679997v1
Advancement of the Homogeneous Background Method for the Computational Simulation of Electrochemical Interfaces Arthur Hagopian,Marie-Liesse Doublet,Jean-Sébastien Filhol,Tobias Binninger Journal of Chemical Theory and Computation, 2022, 18 (3), pp.1883-1893. ⟨10.1021/acs.jctc.1c01237⟩ Article dans une revue hal-03603884v1
Chemical Design of IrS 2 Polymorphs to Understand the Charge/Discharge Asymmetry in Anionic Redox Systems Thomas Marchandier,Sathiya Mariyappan,Artem Abakumov,Stéphane Jobic,Bernard Humbertet al. Chemistry of Materials, 2022, 34 (1), pp.325-336. ⟨10.1021/acs.chemmater.1c03656⟩ Article dans une revue hal-03843272v1
Unlocking anionic redox activity in O3-type sodium 3d layered oxides via Li substitution Qing Wang,Sathiya Mariyappan,Gwenaëlle Rousse,Anatolii Morozov,Benjamin Porcheronet al. Nature Materials, 2021, 20, pp.353-361. ⟨10.1038/s41563-020-00870-8⟩ Article dans une revue hal-03126950v1
Activation of anionic redox in d0 transition metal chalcogenides by anion doping Bernhard T Leube,Clara Robert,Dominique Foix,Benjamin Porcheron,Rémi Dedryvèreet al. Nature Communications, 2021, 12 (1), pp.5485. ⟨10.1038/s41467-021-25760-8⟩ Article dans une revue hal-03354961v1
Stacking versatility in alkali-mixed Honeycomb Layered NaKNi2TeO6 Romain Berthelot,Jon Serrano-Sevillano,Bernard Fraisse,François Fauth,François Weillet al. Inorganic Chemistry, 2021, 60 (18), pp.14310-14317. ⟨10.1021/acs.inorgchem.1c01876⟩ Article dans une revue hal-03355352v1
Correlating ligand-to-metal charge transfer with voltage hysteresis in a Li-rich rock-salt compound exhibiting anionic redox Biao Li,Moulay Tahar Sougrati,Gwenaëlle Rousse,Anatolii V Morozov,Rémi Dedryvèreet al. Nature Chemistry, 2021, 13, pp.1070-1080. ⟨10.1038/s41557-021-00775-2⟩ Article dans une revue hal-03355093v1
Investigation of alkali and alkaline earth solvation structures in tetraglyme solvent L. Nguyen,T. Picard,N. Sergent,Christophe Raynaud,J.-S. Filholet al. Physical Chemistry Chemical Physics, 2021, ⟨10.1039/D1CP02939H⟩ Article dans une revue hal-03354317v1
The Structural Stability of P2-Layered Na-Based Electrodes during Anionic Redox Jean Vergnet,Matthieu Saubanère,Marie-Liesse Doublet,Jean‐marie Tarascon,Jean‐marie Tarascon Joule, 2020, 4 (2), pp.420-434. ⟨10.1016/j.joule.2019.12.003⟩ Article dans une revue hal-02487790v1
New p-type Al-substituted SrSnO 3 perovskites for TCO applications? Leila Ben Amor,Besma Belgacem,Jean-Sébastien Filhol,Marie-Liesse Doublet,Mouna Ben Yahiaet al. Chemical Communications, 2020, 56 (17), pp.2566-2569. ⟨10.1039/c9cc09212a⟩ Article dans une revue hal-02519420v1
Unveiling Pseudocapacitive Charge Storage Behavior in FeWO 4 Electrode Material by Operando X‐Ray Absorption Spectroscopy Nicolas Goubard‐bretesché,Olivier Crosnier,Camille Douard,Antonella Iadecola,Richard Retouxet al. Small, 2020, 13, pp.2002855. ⟨10.1002/smll.202002855⟩ Article dans une revue hal-02902341v1
Elucidation of Active Oxygen Sites upon Delithiation of Li 3 IrO 4 Haifeng Li,Arnaud Perez,Beata Taudul,Teak Boyko,John William Freelandet al. ACS Energy Letters, 2020, pp.140-147. ⟨10.1021/acsenergylett.0c02040⟩ Article dans une revue hal-03064614v1
Thermodynamic origin of dendrite growth in metal anode batteries Arthur Hagopian,Marie-Liesse Doublet,Jean-Sébastien Filhol Energy & Environmental Science, 2020, 13, pp.5186. ⟨10.1039/D0EE02665D⟩ Article dans une revue hal-03064653v2
Unexpected band gap increase in the Fe2VAl Heusler compound Alexandre Berche,Martin Talla Noutack,Marie-Liesse Doublet,Philippe Jund Materials Today Physics, 2020, 13, pp.100203. ⟨10.1016/j.mtphys.2020.100203⟩ Article dans une revue hal-02526837v1
Electrolyte Reactivity in the Double Layer in Mg Batteries: An Interface Potential-Dependent DFT Study Anja Kopač Lautar,Jan Bitenc,Tomaž Rejec,Robert Dominko,Jean-Sébastien Filholet al. Journal of the American Chemical Society, 2020, 142 (11), pp.5146-5153. ⟨10.1021/jacs.9b12474⟩ Article dans une revue hal-02516806v1
Charge Transfer Band Gap as an Indicator of Hysteresis in Li-Disordered Rock Salt Cathodes for Li-Ion Batteries Quentin Jacquet,Antonella Iadecola,Matthieu Saubanère,Haifeng Li,Erik. Berget al. Journal of the American Chemical Society, 2019, 141 (29), pp.11452-11464. ⟨10.1021/jacs.8b11413⟩ Article dans une revue hal-02267408v1
Zn 0.35 Co 0.65 O – A Stable and Highly Active Oxygen Evolution Catalyst Formed by Zinc Leaching and Tetrahedral Coordinated Cobalt in Wurtzite Structure Sebastian Wahl,Sayed El‐refaei,Ana Guilherme Buzanich,Patrick Amsalem,Kug‐seung Leeet al. Advanced Energy Materials, 2019, 9 (20), pp.1900328. ⟨10.1002/aenm.201900328⟩ Article dans une revue hal-02144444v1
Unified picture of anionic redox in Li/Na-ion batteries Mouna Ben Yahia,Jean Vergnet,Matthieu Saubanère,Marie-Liesse Doublet Nature Materials, 2019, 18 (5), pp.496-502. ⟨10.1038/s41563-019-0318-3⟩ Article dans une revue hal-02128369v1
A Chemical Approach to Raise Cell Voltage and Suppress Phase Transition in O3 Sodium Layered Oxide Electrodes Mariyappan Sathiya,Quentin Jacquet,Marie-Liesse Doublet,Olesia Karakulina,Joke Hadermannet al. Advanced Energy Materials, 2018, 8 (11), ⟨10.1002/aenm.201702599⟩ Article dans une revue hal-01692208v1
Electrochemical Mg alloying properties along the Sb1-xBix solid solution Romain Berthelot,Fabrizio Murgia,Danielle Laurencin,Ephrem Terefe Weldekidan,Lorenzo Stievanoet al. Electrochimica Acta, 2018, 259, pp.276-283. ⟨10.1016/j.electacta.2017.10.170⟩ Article dans une revue hal-01649169v1
Reversible Sodium and Lithium Insertion in Iron Fluoride Perovskites Andréa Martin,Marie-Liesse Doublet,Nicolas Pinna,Erhard Kemnitz Advanced Functional Materials, 2018, pp.1802057-1-7. ⟨10.1002/adfm.201802057⟩ Article dans une revue hal-01814201v1
Electrostatic interactions vs. second order Jahn-Teller distortion as the source of structural diversity in Li 3 MO 4 compounds (M = Ru, Nb, Sb and Ta) Quentin Jacquet,Gwenaëlle Rousse,Antonella Iadecola,Matthieu Saubanère,Marie-Liesse Doubletet al. Chemistry of Materials, 2018, 30 (2), pp.392-402. ⟨10.1021/acs.chemmater.7b04117⟩ Article dans une revue hal-03316570v1
Atomic Structure of 2 nm Size Metallic Cobalt Prepared by Electrochemical Conversion: An in Situ Pair Distribution Function Study Wei Li,Olaf Borkiewicz,Matthieu Saubanère,Marie-Liesse Doublet,Delphine Flahautet al. Journal of Physical Chemistry C, 2018, 122 (42), pp.23861-23866. ⟨10.1021/acs.jpcc.8b06573⟩ Article dans une revue hal-01900257v1
Chemical Activity of the Peroxide/Oxide Redox Couple: Case Study of Ba 5 Ru 2 O 11 in Aqueous and Organic Solvents Alexis Grimaud,Antonella Iadecola,Dmitry Batuk,Matthieu Saubanère,Artem Abakumovet al. Chemistry of Materials, 2018, 30 (11), pp.3882-3893. ⟨10.1021/acs.chemmater.8b01372⟩ Article dans une revue hal-02388363v1
The Electrochemical Sodiation of Sb Investigated by Operando X-ray Absorption and 121 Sb Mössbauer Spectroscopy: What Does One Really Learn? Ali Darwiche,Marcus Fehse,Abdelfattah Mahmoud,Camille Fontaine,Bernard Fraisseet al. Batteries, 2018, 4 (2), pp.25. ⟨10.3390/batteries4020025⟩ Article dans une revue hal-01803348v1
Competition between Metal Dissolution and Gas Release in Li-Rich Li 3 Ru y Ir 1– y O 4 Model Compounds Showing Anionic Redox Quentin Jacquet,Antonella Iadecola,Matthieu Saubanère,Louis Lemarquis,Erik J. Berget al. Chemistry of Materials, 2018, 30 (21), pp.7682-7690. ⟨10.1021/acs.chemmater.8b02955⟩ Article dans une revue hal-01947196v1
Evidence for anionic redox activity in a tridimensional-ordered Lirich positive electrode -Li2IrO3 Paul E Pearce,Arnaud J Perez,Gwenaelle Rousse,Matthieu Saubanère,Dmitry Batuket al. Nature Materials, 2017, 16 (5), pp.580-586. ⟨10.1038/nmat4864⟩ Article dans une revue hal-03317546v1
The electrochemical activity of the nitrosyl ligand in copper nitroprusside: a new possible redox mechanism for lithium battery electrode materials? Angelo Mullaliu,Moulay Tahar Sougrati,Nicolas Louvain,Giuliana Aquilanti,Marie-Liesse Doubletet al. Electrochimica Acta, 2017, 257, pp.364 - 371. ⟨10.1016/j.electacta.2017.10.107⟩ Article dans une revue istex hal-01627946v1
Requirements for reversible extra-capacity in Li-rich layered oxides for Li-ion batteries Ying Xie,Matthieu Saubanère,Marie-Liesse Doublet Energy & Environmental Science, 2017, 10 (1), pp.266-274. ⟨10.1039/c6ee02328b⟩ Article dans une revue hal-01443838v1
Approaching the limits of cationic and anionic electrochemical activity with the Li-rich layered rocksalt Li3IrO4 Arnaud J Perez,Quentin Jacquet,Dmitry Batuk,Antonella Iadecola,Matthieu Saubanèreet al. Nature Energy, 2017, 2 (12), pp.954-962. ⟨10.1038/s41560-017-0042-7⟩ Article dans une revue hal-03316568v1
A Fully Ordered Triplite, LiCuSO 4 F Meiling Sun,Gwenaelle Rousse,Daniel Alves Dalla Corte,Matthieu Saubanère,Marie-Liesse Doubletet al. Chemistry of Materials, 2016, 28, pp.1607-1610. ⟨10.1021/acs.chemmater.5b04478⟩ Article dans une revue hal-01396266v1
A2VO(SO4)2 (A = Li, Na) as Electrodes for Li-Ion and Na-Ion Batteries Meiling Sun,Gwenaelle Rousse,Matthieu Saubanère,Marie-Liesse Doublet,Daniel Alves Dalla Corteet al. Chemistry of Materials, 2016, 28 (18), pp.6637-6643. ⟨10.1021/acs.chemmater.6b02759⟩ Article dans une revue hal-01471898v1
The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries M. Saubanère,Eric Mccalla,Jean‐marie Tarascon,Marie-Liesse Doublet Energy & Environmental Science, 2016, 9, pp.984. ⟨10.1039/c5ee03048j⟩ Article dans une revue hal-01297326v1
Strong Oxygen Participation in the Redox Governing the Structural and Electrochemical Properties of Na-Rich Layered Oxide Na&lt;sub&gt;2&lt;/sub&gt; IrO&lt;sub&gt;3&lt;/sub&gt; Arnaud J. Perez,Dmitry Batuk,Matthieu Saubanère,Gwenaelle Rousse,Dominique Foixet al. Chemistry of Materials, 2016, 28 (22), pp.8278 - 8288. ⟨10.1021/acs.chemmater.6b03338⟩ Article dans une revue hal-01405732v1
Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries Eric Mccalla,Artem Abakumov,Matthieu Saubanère,Dominique Foix,Erik J Berget al. Science, 2015, 305 (6267), pp.1516-1521. ⟨10.1126/science.aac8260⟩ Article dans une revue hal-01253767v1
Influence of polymorphism on the electrochemical behavior of MxSb negative electrodes in Li/Na batteries Matthieu Saubanère,Mouna Ben Yahia,Frédéric Lemoigno,Marie-Liesse Doublet Journal of Power Sources, 2015, pp.1-6. ⟨10.1016/j.jpowsour.2015.01.093⟩ Article dans une revue istex hal-01109354v1
Reversible Li-Intercalation through Oxygen Reactivity in Li-Rich Li-Fe-Te Oxide Materials E. Mccalla,A. S. Prakash,E. Berg,Matthieu Saubanère,Artem Abakumovet al. Journal of The Electrochemical Society, 2015, 162 (7), pp.A1341-51. ⟨10.1149/2.0991507jes⟩ Article dans une revue hal-01196301v1
Origin of voltage decay in high-capacity layered oxide electrodes M. Sathiya,Artem Abakumov,Dominique Foix,G. Rousse,G Vantendelooet al. Nature Materials, 2015, pp.1-9. ⟨10.1038/nmat4137⟩ Article dans une revue hal-01091051v1
New Insights on the Reversible Lithiation Mechanism of TiO2(B) by Operando X-ray Absorption Spectroscopy and X-ray Diffraction Assisted by First-Principles Calculations Marcus Fehse,Mouna Ben Yahia,Laure Monconduit,Frédéric Lemoigno,Marie-Liesse Doubletet al. Journal of Physical Chemistry C, 2014, 118 (47), pp.27210-27218. ⟨10.1021/jp507574e⟩ Article dans une revue hal-01087975v1
An Oxysulfate Fe2O(SO4)2 Electrode for Sustainable Li-Based Batteries Meiling Sun,Gwenaëlle Rousse,Artem M. Abakumov,Gustaaf Van Tendeloo,Moulay Tahar Sougratiet al. Journal of the American Chemical Society, 2014, 136 (36), pp.12658-12666. ⟨10.1021/ja505268y⟩ Article dans une revue hal-01075348v1
Conceptual Surface Electrochemistry and New Redox Descriptors Jean-Sébastien Filhol,Marie-Liesse Doublet Journal of Physical Chemistry C, 2014, 118 (33), pp.19023-19031. ⟨10.1021/jp502296p⟩ Article dans une revue hal-01075350v1
An intuitive and efficient method for cell voltage prediction of lithium and sodium-ion batteries Matthieu Saubanère,Mouna Ben Yahia,Sébastien Lebègue,Marie-Liesse Doublet Nature Communications, 2014, 5, pp.1-5. ⟨10.1038/ncomms6559⟩ Article dans une revue hal-01088512v1
High Performance Li2Ru1−yMnyO3 (0.2 ≤ y ≤ 0.8) Cathode Materials for Rechargeable Lithium-Ion Batteries: Their Understanding M. Sathiya,K. Ramesha,G. Rousse,Dominique Foix,Danielle Gonbeauet al. Chemistry of Materials, 2013, 25, pp.1121−1131. ⟨10.1021/cm400193m⟩ Article dans une revue hal-00840270v1
Li4NiTeO6 as a positive electrode for Li-ion batteries† Mariyappan Sathiya,K. Ramesha,G. Rousse,Dominique Foix,Danielle Gonbeauet al. Chemical Communications, 2013, 49, pp.11376-11378. ⟨10.1039/c3cc46842a⟩ Article dans une revue hal-00905924v1
Palladium-silver mesowires for the extended detection of H2. Claire Fournier,Khalil Rajoua,Marie-Liesse Doublet,Frédéric Favier ACS Applied Materials & Interfaces, 2013, 5 (2), pp.310-318. ⟨10.1021/am302143m⟩ Article dans une revue hal-00798081v1
Reversible anionic redox chemistry in high-capacity layered-oxide electrodes Mariyappan Sathiya,Gwenaëlle Rousse,K. Ramesha,C. P. Laisa,Hervé Vezinet al. Nature Materials, 2013, 12, pp.827-835. ⟨10.1038/nmat3699⟩ Article dans une revue hal-00845846v1
Origin of the Voltage Hysteresis in the CoP Conversion Material for Li-Ion Batteries Rémi Khatib,Anne-Laure Dalverny,Matthieu Saubanère,Miran Gaberscek,Marie-Liesse Doublet Journal of Physical Chemistry C, 2013, 117 (2), pp.837-849. ⟨10.1021/jp310366a⟩ Article dans une revue hal-00793930v1
Single-Step Synthesis of FeSO4F1−yOHy (0 ≤ y ≤ 1) Positive Electrodes for Li-Based Batteries M. Ati,Moulay Tahar Sougrati,G. Rousse,N. Recham,Marie-Liesse Doubletet al. Chemistry of Materials, 2012, 24 (8), pp.1472-1485. ⟨10.1021/cm300188a⟩ Article dans une revue hal-00694020v1
An ab initio study of surface electrochemical disproportionation: The case of a water monolayer adsorbed on a Pd(1 1 1) surface Jean-Sébastien Filhol,Marie-Liesse Doublet Catalysis Today, 2012, 202, pp.87-89. ⟨10.1016/j.cattod.2012.04.023⟩ Article dans une revue hal-00763973v1
Origin of the 3.6V to 3.9V voltage increase in the LiFeSO4F cathodes for Li-Ion Batteries Mouna Ben Yahia,Frédéric Lemoigno,Gwenaëlle Rousse,Florent Boucher,Jean‐marie Tarasconet al. Energy & Environmental Science, 2012, 5, pp.9584-9594. ⟨10.1039/C2EE22699E⟩ Article dans une revue hal-00734995v1
FeII/FeIII mixed-valence state induced by Li-insertion into the metal-organic-framework Mil53(Fe): A DFT+U study Cécil Combelles,Mouna Ben Yahia,Laurent Pedesseau,Marie-Liesse Doublet Journal of Power Sources, 2011, 196 (7), pp.3426-3432. ⟨10.1016/j.jpowsour.2010.08.065⟩ Article dans une revue istex hal-00523804v1
A 3.90V iron-based fluorosulphate material for lithium-ion batteries crystallizing in the triplite structure Prabeer Barpanda,Mohammed Ati,Brent C. Melot,G. Rousse,Jean-Noël Chotardet al. Nature Materials, 2011, pp.ASAP. ⟨10.1038/nmat3093⟩ Article dans une revue hal-00616298v1
Interface Electrochemistry in Conversion Reactions for Li-Ion Batteries Anne-Laure Dalverny,Jean-Sébastien Filhol,Marie-Liesse Doublet Journal of Materials Chemistry, 2011, 21, pp.10134-10142. ⟨10.1039/C0JM04202A⟩ Article dans une revue hal-00564744v1
Design of Electrode Materials for Lithium-Ion Batteries: The Example of Metal-Organic Frameworks Cécil Combelles,Mouna Ben Yahia,Laurent Pedesseau,Marie-Liesse Doublet Journal of Physical Chemistry C, 2010, 114, pp.9518-9527. ⟨10.1021/jp1016455⟩ Article dans une revue hal-00523806v1
Interplay between Magnetic and Orbital Ordering in the Strongly Correlated Cobalt Oxide: A DFT + U Study Anne-Laure Daleverny,Jean-Sébastien Filhol,Frédéric Lemoigno,Marie-Liesse Doublet Journal of Physical Chemistry C, 2010, 114, pp.21750-21756. ⟨10.1021/jp108599m⟩ Article dans une revue hal-00538418v1
Crystal structure, band structure and electrical properties of kappa-(BEDT-TTF)(2)SbF6 grown on a Si(001) electrode Aneta Aniela Kowalska,Jean-Philippe Savy,Dominique de Caro,Isabelle Malfant,C. Faulmannet al. Synthetic Metals, 2010, 160, pp.556-560. ⟨10.1016/j.synthmet.2009.12.002⟩ Article dans une revue istex hal-00491055v1
P-redox mechanism at the origin of the high lithium storage in NiP2-based batteries Simeon Boyanov,J. Bernardi,Emilie Bekaert,Michel Ménétrier,Marie-Liesse Doubletet al. Chemistry of Materials, 2009, 21 (2), pp.298-308. ⟨10.1021/cm802393z⟩ Article dans une revue hal-00355776v1
Direct correlation between the 31P MAS NMR response and the electronic structure of some Transition-Metal Phosphides Emilie Beckaert,Jerome Bernardi,Simeon Boyanov,Laure Monconduit,Marie-Liesse Doubletet al. Journal of Physical Chemistry C, 2008, 112 (51), pp.20481-20490. ⟨10.1021/jp808122q⟩ Article dans une revue istex hal-00340106v1
Phase Diagrams for Systems with Low Free Energy Variation: A Coupled Theory/Experiments Method Applied to Li-Graphite Jean-Sébastien Filhol,C. Combelles,R. Yazami,Marie-Liesse Doublet Journal of Physical Chemistry C, 2008, pp.3982-3988. ⟨10.1021/jp076597n⟩ Article dans une revue istex hal-00273372v1
Structural, magnetic and redox properties of a new cathode material for Li-ion batteries: the iron-based metal organic framework Cécil Combelles,Marie-Liesse Doublet Ionics, 2008, 14 (4), pp.279-283. ⟨10.1007/s11581-007-0179-7⟩ Article dans une revue istex hal-00297363v1
Redox mechanism in the NiP2 electrode for Li-ion batteries: A DFT study coupled with local chemical bond analyses Jérôme Bernardi,Frédéric Lemoigno,Marie-Liesse Doublet Ionics, 2008, 14 (3), pp.197-202. ⟨10.1007/s11581-007-0188-6⟩ Article dans une revue istex hal-00297359v1
Electrical Conductivity and Spin Crossover: A New Achievement with a Metal Bis Dithiolene Complex C. Faulmann,Kane Jacob,Stéphane Dorbes,Stéphane Lampert,Isabelle Malfantet al. Inorganic Chemistry, 2007, 46 (21), pp.8548-8559. ⟨10.1021/ic062461c⟩ Article dans une revue istex hal-00178670v1
Mixed-Valence Li/Fe-Based Metal-Organic Frameworks with Both Reversible Redox and Sorption Properties Gérard Férey,Franck Millange,Mathieu Morcrette,Christian Serre,Marie-Liesse Doubletet al. Angewandte Chemie, 2007, 46 (18), pp.3259-3263. ⟨10.1002/anie.200605163⟩ Article dans une revue istex hal-00178678v1
Redox Mechanism in the Binary Transition Metal Phosphide Cu3P Bruno Mauvernay,Marie-Liesse Doublet,Laure Monconduit Journal of Physics and Chemistry of Solids, 2006, 67, pp.1252-1257. ⟨10.1016/j.jpcs.2006.01.055⟩ Article dans une revue istex hal-00185440v1
FeP : Another Attractive Anode for Li-Ion Battery Enlisting a Reversible Two-Step Insertion / Conversion Process Simeon Boyanov,Jerome Bernardi,Frédéric Gillot,Loïc Dupont,Manfred Womeset al. Chemistry of Materials, 2006, 18 (15), pp.3531-3538. ⟨10.1021/cm060433m⟩ Article dans une revue istex hal-00185451v1
Leading interactions in the $\beta$-$SrV_6O_{15}$ compound Marie-Liesse Doublet,Marie-Bernadette Lepetit Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 71, pp.075119 Article dans une revue hal-00004147v1
Electrochemical Reactivity and Design of NiP2 Negative Electrodes for Secondary Li-Ion Batteries Frédéric Gillot,Simeon Boyanov,Loic Dupont,Marie-Liesse Doublet,Mathieu Morcretteet al. Chemistry of Materials, 2005, 17 (25), pp.6327-6337. ⟨10.1021/cm051574b⟩ Article dans une revue hal-00383231v1
On the Reactivity of Li8-yMnyP4 toward Lithium Frédéric Gillot,Laure Monconduit,Mathieu Morcrette,Marie-Liesse Doublet,Loic Dupontet al. Chemistry of Materials, 2005, 17, pp.3627-3635. ⟨10.1021/cm050362b⟩ Article dans une revue hal-00383215v1
Concerning the first-order transition in the κ-phase (BEDT-TTF)4PtCl6 . C6H5CN Marie-Liesse Doublet,Enric Canadell,Rimma Shibaeva Journal de Physique I, 1994, 4 (10), pp.1479-1490. ⟨10.1051/jp1:1994202⟩ Article dans une revue istex jpa-00247007v1
Comparison of the electronic structures of isostructural (BEDT-TTF)3(HSO4)2 and [ Ni(dddt)2] 3(HSO4)2 molecular metals Marie-Liesse Doublet,Enric Canadell,Jean-Paul Pouget,Rimma Shibaeva Journal de Physique I, 1994, 4 (10), pp.1439-1450. ⟨10.1051/jp1:1994198⟩ Article dans une revue istex jpa-00247003v1
Comparison of the electronic structures of the BEDT-TTF4[ M(CN)4] (M = Ni, Pt) and BEDT-TTF4[ M(C2O4)2] (M = Pt, Cu) salts. Structural requirements for hidden Fermi surface nesting James Martin,Marie-Liesse Doublet,Enric Canadell Journal de Physique I, 1993, 3 (12), pp.2451-2461. ⟨10.1051/jp1:1993256⟩ Article dans une revue istex jpa-00246879v1

Communication dans un congrès (9)

Modelling-assisted design of calcium-based solid polymer electrolyte Nicolas Sergent,Tanguy Gogny-Picard,Long Hoang Bao Nguyen,Jean-Sebastien Filhol,Marie-Liesse Doubletet al. E-MRS (European Materials Research Society) Fall meeting 2020, Sep 2021, Online Edition, Poland Communication dans un congrès hal-03519394v1
Mécanisme de NiP2 comme matériau d'électrode négative pour batterie Li-ions, vu par la RMN Laure Monconduit,Simeon Boyanov,E. Bekaert,J. Bernardi,Marie-Liesse Doubletet al. GFECI 2008, Mar 2008, Fort-Mahon, France Communication dans un congrès hal-00351328v1
Etude par RMN du 31P de phosphures d'éléments de transition M. Menetrier,E. Bekaert,J. Bernardi,Simeon Boyanov,Laure Monconduitet al. GFECI 2008, Mar 2008, Fort-Mahon, France Communication dans un congrès hal-00351331v1
Mécanismes électrochimiques des phases NixPy vis à vis du lithium Simeon Boyanov,Marie-Liesse Doublet,M. Morcrette,J.-M. Tarascon,Laure Monconduit GFECI 2007, Mar 2007, Saint Diès les Voges, France Communication dans un congrès hal-00351321v1
7Li and 31P MAS NMR in lithiated transition metal phosphides E. Bekaert,Simeon Boyanov,Laure Monconduit,Marie-Liesse Doublet,M. Ménétrieret al. Euromar 2007, Jul 2007, France Communication dans un congrès hal-00351182v1
NiPx new negative electrodes for lithium ion batteries Laure Monconduit,Simeon Boyanov,F. Gillot,L. Dupont,Mathieu Morcretteet al. 13th IMLB, International Meeting on lithium Batteries, Jun 2006, Biarritz, France Communication dans un congrès hal-00384160v1
EELS determination of lithium insertion sites in a possible new negative electrode for Li-ion battery V. Mauchamp,P. Moreau,Laure Monconduit,Marie-Liesse Doublet,Florent Boucheret al. Lithium Battery Discussions, LiBD, May 2005, Arcachon, France Communication dans un congrès hal-00384145v1
Lithium insertion-extraction mechanism in manganese phosphide Laure Monconduit,F. Gillot,Marie-Liesse Doublet Lithium Battery Discussions, LiBD, May 2005, Arcachon, France Communication dans un congrès hal-00384142v1
Electron energy loss spectroscopy of LixTiP4, a possible negative electrode for lithium-ion batteries V. Mauchamp,P. Moreau,Laure Monconduit,Marie-Liesse Doublet,Florent Boucheret al. European Microscopy Congress, Aug 2004, Anvers, Belgium Communication dans un congrès hal-00384148v1

Ouvrages (2)

Physical Multiscale Modeling and Numerical Simulation of Electrochemical Devices for Energy Conversion and Storage Alejandro A. Franco,Marie-Liesse Doublet,Wolfgang G. Bessler Springer Verlag. , 2016, 978-1-4471-5677-2. ⟨10.1007/978-1-4471-5677-2⟩ Ouvrages hal-02003392v1
Orbital Approach to the Electronic Structure of Solids Enric Canadell,Marie-Liesse Doublet,Christophe Iung Oxford University Press. Oxford University Press, pp.1-364, 2012, Oxford University Press, ISBN 97-0-19-953493-7 Ouvrages hal-00678274v1

Chapitre d'ouvrage (1)

Atomistic Modeling of Electrode Materials for Li-Ion Batteries: From Bulk to Interfaces Matthieu Saubanère,Jean-Sébastien Filhol,Marie-Liesse Doublet Springer London Heidelberg New York Dordrecht. Physcial Multiscale Modeling and Numerical Simulation if Electrochemical Devices for Energy Conversion and Storage: From Theory to to Practice, Springer-Verlag London 2016, 2016, 978-1-4471-5677-2. ⟨10.1007/978-1-4471-5677-2⟩ Chapitre d'ouvrage hal-02003356v1

HDR (1)

Grandeurs Locales et Liaisons Chimiques : Des Outils d'Analyses pour l'Etude des Propriétés Macroscopiques des Solides Périodiques Marie-Liesse Doublet Matériaux. Université Montpellier II - Sciences et Techniques du Languedoc, 2006 HDR tel-00185445v1

Brevet (1)

Lithium-material comprising an intermetallic lithium/transition metal pnictide phase for lithium batteries. &quot;The invention provides a rechargeable lithium-ion battery comprising the specific lithium composite exhibiting good charge-discharge cycle performance and mechanical properties. The lithium-material comprises an intermetallic lithium/transition metal&quot;. Laure Monconduit,Frédéric Gillot,Marie-Liesse Doublet Patent n° : US2003113631 A120030619 US6939643. 2003 Brevet hal-00528324v1