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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⟩
Book sections hal-02003356v1
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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⟩
Journal articles istex jpa-00247007v1

Electrochemical Mg alloying properties along the Sb1-xBix solid solution

Romain Berthelot , Fabrizio Murgia , Danielle Laurencin , Ephrem Terefe Weldekidan , Lorenzo Stievano et al.
Electrochimica Acta, 2018, 259, pp.276-283. ⟨10.1016/j.electacta.2017.10.170⟩
Journal articles hal-01649169v1
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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. Berg et al.
Journal of the American Chemical Society, 2019, 141 (29), pp.11452-11464. ⟨10.1021/jacs.8b11413⟩
Journal articles hal-02267408v1
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Activation of anionic redox in d0 transition metal chalcogenides by anion doping

Bernhard T Leube , Clara Robert , Dominique Foix , Benjamin Porcheron , Rémi Dedryvère et al.
Nature Communications, 2021, 12 (1), pp.5485. ⟨10.1038/s41467-021-25760-8⟩
Journal articles hal-03354961v1

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 Corte et al.
Chemistry of Materials, 2016, 28 (18), pp.6637-6643. ⟨10.1021/acs.chemmater.6b02759⟩
Journal articles hal-01471898v1

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⟩
Journal articles hal-00523804v1
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Electrochemical Reactivity and Design of NiP2 Negative Electrodes for Secondary Li-Ion Batteries

Frédéric Gillot , Simeon Boyanov , Loic Dupont , Marie-Liesse Doublet , Mathieu Morcrette et al.
Chemistry of Materials, 2005, 17 (25), pp.6327-6337. ⟨10.1021/cm051574b⟩
Journal articles hal-00383231v1

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⟩
Journal articles hal-01297326v1
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Strong Oxygen Participation in the Redox Governing the Structural and Electrochemical Properties of Na-Rich Layered Oxide Na2 IrO3

Arnaud J. Perez , Dmitry Batuk , Matthieu Saubanère , Gwenaelle Rousse , Dominique Foix et al.
Chemistry of Materials, 2016, 28 (22), pp.8278 - 8288. ⟨10.1021/acs.chemmater.6b03338⟩
Journal articles hal-01405732v1
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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 Doublet et al.
Chemistry of Materials, 2018, 30 (2), pp.392-402. ⟨10.1021/acs.chemmater.7b04117⟩
Journal articles hal-03316570v1

Electron energy loss spectroscopy of LixTiP4, a possible negative electrode for lithium-ion batteries

V. Mauchamp , P. Moreau , Laure Monconduit , Marie-Liesse Doublet , Florent Boucher et al.
European Microscopy Congress, Aug 2004, Anvers, Belgium
Conference papers hal-00384148v1

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⟩
Journal articles istex hal-00185440v1
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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⟩
Journal articles hal-03064653v2
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Stacking versatility in alkali-mixed Honeycomb Layered NaKNi2TeO6

Romain Berthelot , Jon Serrano-Sevillano , Bernard Fraisse , François Fauth , François Weill et al.
Inorganic Chemistry, 2021, 60 (18), pp.14310-14317. ⟨10.1021/acs.inorgchem.1c01876⟩
Journal articles hal-03355352v1

Lithium insertion-extraction mechanism in manganese phosphide

Laure Monconduit , F. Gillot , Marie-Liesse Doublet
Lithium Battery Discussions, LiBD, May 2005, Arcachon, France
Conference papers hal-00384142v1

Reversible anionic redox chemistry in high-capacity layered-oxide electrodes

Mariyappan Sathiya , Gwenaëlle Rousse , K. Ramesha , C. P. Laisa , Hervé Vezin et al.
Nature Materials, 2013, 12, pp.827-835. ⟨10.1038/nmat3699⟩
Journal articles hal-00845846v1

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 Boucher et al.
Lithium Battery Discussions, LiBD, May 2005, Arcachon, France
Conference papers hal-00384145v1
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New p-type Al-substituted SrSnO 3 perovskites for TCO applications?

Leila Ben Amor , Besma Belgacem , Jean-Sébastien Filhol , Marie-Liesse Doublet , Mouna Ben Yahia et al.
Chemical Communications, 2020, 56 (17), pp.2566-2569. ⟨10.1039/c9cc09212a⟩
Journal articles hal-02519420v1
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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 Blanquer et al.
Journal articles hal-03850597v1
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Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries

Eric Mccalla , Artem M Abakumov , Matthieu Saubanère , Dominique Foix , Erik J Berg et al.
Science, 2015, 305 (6267), pp.1516-1521. ⟨10.1126/science.aac8260⟩
Journal articles hal-01253767v1
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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 et al.
Joule, 2020, 4 (2), pp.420-434. ⟨10.1016/j.joule.2019.12.003⟩
Journal articles hal-02487790v1
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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 Hadermann et al.
Advanced Energy Materials, 2018, 8 (11), ⟨10.1002/aenm.201702599⟩
Journal articles hal-01692208v1
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Evidence for anionic redox activity in a tridimensional-ordered Lirich positive electrode -Li2IrO3

Paul E Pearce , Arnaud J Perez , Gwenaelle Rousse , Matthieu Saubanère , Dmitry Batuk et al.
Nature Materials, 2017, 16 (5), pp.580-586. ⟨10.1038/nmat4864⟩
Journal articles hal-03317546v1
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Unlocking anionic redox activity in O3-type sodium 3d layered oxides via Li substitution

Qing Wang , Sathiya Mariyappan , Gwenaëlle Rousse , Anatolii Morozov , Benjamin Porcheron et al.
Nature Materials, 2021, 20, pp.353-361. ⟨10.1038/s41563-020-00870-8⟩
Journal articles hal-03126950v1

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 Gonbeau et al.
Chemistry of Materials, 2013, 25, pp.1121−1131. ⟨10.1021/cm400193m⟩
Journal articles hal-00840270v1

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⟩
Journal articles hal-00523806v1

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 Doublet et al.
Angewandte Chemie, 2007, 46 (18), pp.3259-3263. ⟨10.1002/anie.200605163⟩
Journal articles istex hal-00178678v1

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⟩
Journal articles hal-00538418v1

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 Doublet et al.
Chemistry of Materials, 2009, 21 (2), pp.298-308. ⟨10.1021/cm802393z⟩
Journal articles hal-00355776v1