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Correction to “AMOEBA Polarizable Force Field for Molecular Dynamics Simulations of Glyme Solvents”
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Clarifying the origin of molecular O2 in cathode oxides
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Improved modeling of battery electrolytes: betting on model fitting or quantum effects?
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Crystallographic Dimensionality Determines the Electrochemical Reaction Mechanism in Alkali Transition-Metal Chlorides
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Elucidating Salt Conversion Mechanisms of Lithiated Transition Metal Oxide for Lithium-ion Batteries Recycling
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Effect of the Nature of Both Cation and Anion Substitution on the Structural Symmetry of Li‐Rich 3 d ‐Metal Chalcogenide Electrodes
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Rationalizing the alkali ions distribution along the honeycomb layered (Li,Na)2SnO3 pseudo solid solution
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Article dans une revue
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AMOEBA Polarizable Force Field for Molecular Dynamics Simulations of Glyme Solvents
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The Ir-OOOO-Ir Transition State and the Mechanism of the Oxygen Evolution Reaction on IrO 2 (110)
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Access to Ru(IV)–Ru(V) and Ru(V)–Ru(VI) Redox in Layered Li 7 RuO 6 via Intercalation Reactions
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Advancement of the Homogeneous Background Method for the Computational Simulation of Electrochemical Interfaces
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Chemical Design of IrS 2 Polymorphs to Understand the Charge/Discharge Asymmetry in Anionic Redox Systems
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Unlocking cell chemistry evolution with operando fibre optic infrared spectroscopy in commercial Na(Li)-ion batteries
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Activation of anionic redox in d0 transition metal chalcogenides by anion doping
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Stacking versatility in alkali-mixed Honeycomb Layered NaKNi2TeO6
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Investigation of alkali and alkaline earth solvation structures in tetraglyme solvent
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Correlating ligand-to-metal charge transfer with voltage hysteresis in a Li-rich rock-salt compound exhibiting anionic redox
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Unlocking anionic redox activity in O3-type sodium 3d layered oxides via Li substitution
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Elucidation of Active Oxygen Sites upon Delithiation of Li 3 IrO 4
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Unveiling Pseudocapacitive Charge Storage Behavior in FeWO 4 Electrode Material by Operando X‐Ray Absorption Spectroscopy
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Thermodynamic origin of dendrite growth in metal anode batteries
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Article dans une revue
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Unexpected band gap increase in the Fe2VAl Heusler compound
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Electrolyte Reactivity in the Double Layer in Mg Batteries: An Interface Potential-Dependent DFT Study
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New p-type Al-substituted SrSnO 3 perovskites for TCO applications?
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Article dans une revue
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The Structural Stability of P2-Layered Na-Based Electrodes during Anionic Redox
Jean Vergnet
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Article dans une revue
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Charge Transfer Band Gap as an Indicator of Hysteresis in Li-Disordered Rock Salt Cathodes for Li-Ion Batteries
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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
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Unified picture of anionic redox in Li/Na-ion batteries
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Marie-Liesse Doublet
Article dans une revue
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Electrochemical Mg alloying properties along the Sb1-xBix solid solution
Romain Berthelot
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Article dans une revue
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Reversible Sodium and Lithium Insertion in Iron Fluoride Perovskites
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Article dans une revue
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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)
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Article dans une revue
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Atomic Structure of 2 nm Size Metallic Cobalt Prepared by Electrochemical Conversion: An in Situ Pair Distribution Function Study
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Article dans une revue
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The Electrochemical Sodiation of Sb Investigated by Operando X-ray Absorption and 121 Sb Mössbauer Spectroscopy: What Does One Really Learn?
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Article dans une revue
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Chemical Activity of the Peroxide/Oxide Redox Couple: Case Study of Ba 5 Ru 2 O 11 in Aqueous and Organic Solvents
Alexis Grimaud
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Article dans une revue
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Competition between Metal Dissolution and Gas Release in Li-Rich Li 3 Ru y Ir 1– y O 4 Model Compounds Showing Anionic Redox
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Article dans une revue
hal-01947196
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A Chemical Approach to Raise Cell Voltage and Suppress Phase Transition in O3 Sodium Layered Oxide Electrodes
Mariyappan Sathiya
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Marie-Liesse Doublet
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Article dans une revue
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The electrochemical activity of the nitrosyl ligand in copper nitroprusside: a new possible redox mechanism for lithium battery electrode materials?
Angelo Mullaliu
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Moulay Tahar Sougrati
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Nicolas Louvain
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Article dans une revue
hal-01627946
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Requirements for reversible extra-capacity in Li-rich layered oxides for Li-ion batteries
Ying Xie
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Matthieu Saubanère
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Marie-Liesse Doublet
Article dans une revue
hal-01443838
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Approaching the limits of cationic and anionic electrochemical activity with the Li-rich layered rocksalt Li3IrO4
Arnaud J Perez
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Article dans une revue
hal-03316568
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Evidence for anionic redox activity in a tridimensional-ordered Lirich positive electrode -Li2IrO3
Paul E Pearce
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Matthieu Saubanère
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Article dans une revue
hal-03317546
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The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries
M. Saubanère
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Eric Mccalla
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Jean‐marie Tarascon
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Marie-Liesse Doublet
Article dans une revue
hal-01297326
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A2VO(SO4)2 (A = Li, Na) as Electrodes for Li-Ion and Na-Ion Batteries
Meiling Sun
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Marie-Liesse Doublet
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Article dans une revue
hal-01471898
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Strong Oxygen Participation in the Redox Governing the Structural and Electrochemical Properties of Na-Rich Layered Oxide Na<sub>2</sub> IrO<sub>3</sub>
Arnaud J. Perez
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Matthieu Saubanère
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Gwenaelle Rousse
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Dominique Foix
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Article dans une revue
hal-01405732
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A Fully Ordered Triplite, LiCuSO 4 F
Meiling Sun
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Gwenaelle Rousse
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Matthieu Saubanère
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Marie-Liesse Doublet
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Article dans une revue
hal-01396266
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Influence of polymorphism on the electrochemical behavior of MxSb negative electrodes in Li/Na batteries
Matthieu Saubanère
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Mouna Ben Yahia
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Frédéric Lemoigno
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Marie-Liesse Doublet
Article dans une revue
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hal-01109354
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Reversible Li-Intercalation through Oxygen Reactivity in Li-Rich Li-Fe-Te Oxide Materials
E. Mccalla
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Matthieu Saubanère
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Article dans une revue
hal-01196301
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Origin of voltage decay in high-capacity layered oxide electrodes
M. Sathiya
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G. Rousse
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Article dans une revue
hal-01091051
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Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries
Eric Mccalla
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Dominique Foix
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Article dans une revue
hal-01253767
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An Oxysulfate Fe2O(SO4)2 Electrode for Sustainable Li-Based Batteries
Meiling Sun
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Gustaaf Van Tendeloo
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Article dans une revue
hal-01075348
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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
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Mouna Ben Yahia
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Laure Monconduit
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Frédéric Lemoigno
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Marie-Liesse Doublet
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Article dans une revue
hal-01087975
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Conceptual Surface Electrochemistry and New Redox Descriptors
Jean-Sébastien Filhol
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Marie-Liesse Doublet
Article dans une revue
hal-01075350
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An intuitive and efficient method for cell voltage prediction of lithium and sodium-ion batteries
Matthieu Saubanère
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Mouna Ben Yahia
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Sébastien Lebègue
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Marie-Liesse Doublet
Article dans une revue
hal-01088512
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Palladium-silver mesowires for the extended detection of H2.
Claire Fournier
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Khalil Rajoua
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Marie-Liesse Doublet
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Frédéric Favier
Article dans une revue
hal-00798081
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Li4NiTeO6 as a positive electrode for Li-ion batteries†
Mariyappan Sathiya
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K. Ramesha
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G. Rousse
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Dominique Foix
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Danielle Gonbeau
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Article dans une revue
hal-00905924
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Reversible anionic redox chemistry in high-capacity layered-oxide electrodes
Mariyappan Sathiya
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Article dans une revue
hal-00845846
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Origin of the Voltage Hysteresis in the CoP Conversion Material for Li-Ion Batteries
Rémi Khatib
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Anne-Laure Dalverny
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Matthieu Saubanère
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Miran Gaberscek
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Marie-Liesse Doublet
Article dans une revue
hal-00793930
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High Performance Li2Ru1−yMnyO3 (0.2 ≤ y ≤ 0.8) Cathode Materials for Rechargeable Lithium-Ion Batteries: Their Understanding
M. Sathiya
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G. Rousse
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Dominique Foix
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Danielle Gonbeau
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Article dans une revue
hal-00840270
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Single-Step Synthesis of FeSO4F1−yOHy (0 ≤ y ≤ 1) Positive Electrodes for Li-Based Batteries
M. Ati
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G. Rousse
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N. Recham
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Article dans une revue
hal-00694020
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Origin of the 3.6V to 3.9V voltage increase in the LiFeSO4F cathodes for Li-Ion Batteries
Mouna Ben Yahia
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Frédéric Lemoigno
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Gwenaëlle Rousse
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Florent Boucher
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Jean‐marie Tarascon
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Article dans une revue
hal-00734995
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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
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Marie-Liesse Doublet
Article dans une revue
hal-00763973
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FeII/FeIII mixed-valence state induced by Li-insertion into the metal-organic-framework Mil53(Fe): A DFT+U study
Cécil Combelles
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Mouna Ben Yahia
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Laurent Pedesseau
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Marie-Liesse Doublet
Article dans une revue
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hal-00523804
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A 3.90V iron-based fluorosulphate material for lithium-ion batteries crystallizing in the triplite structure
Prabeer Barpanda
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Brent C. Melot
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G. Rousse
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Jean-Noël Chotard
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Article dans une revue
hal-00616298
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Interface Electrochemistry in Conversion Reactions for Li-Ion Batteries
Anne-Laure Dalverny
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Jean-Sébastien Filhol
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Marie-Liesse Doublet
Article dans une revue
hal-00564744
v1
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Interplay between Magnetic and Orbital Ordering in the Strongly Correlated Cobalt Oxide: A DFT + U Study
Anne-Laure Daleverny
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Jean-Sébastien Filhol
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Frédéric Lemoigno
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Marie-Liesse Doublet
Article dans une revue
hal-00538418
v1
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Design of Electrode Materials for Lithium-Ion Batteries: The Example of Metal-Organic Frameworks
Cécil Combelles
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Mouna Ben Yahia
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Laurent Pedesseau
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Marie-Liesse Doublet
Article dans une revue
hal-00523806
v1
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Crystal structure, band structure and electrical properties of kappa-(BEDT-TTF)(2)SbF6 grown on a Si(001) electrode
Aneta Aniela Kowalska
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Jean-Philippe Savy
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Dominique de Caro
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Isabelle Malfant
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C. Faulmann
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Article dans une revue
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hal-00491055
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P-redox mechanism at the origin of the high lithium storage in NiP2-based batteries
Simeon Boyanov
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J. Bernardi
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Emilie Bekaert
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Michel Ménétrier
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Marie-Liesse Doublet
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Article dans une revue
hal-00355776
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Direct correlation between the 31P MAS NMR response and the electronic structure of some Transition-Metal Phosphides
Emilie Beckaert
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Jerome Bernardi
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Simeon Boyanov
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Laure Monconduit
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Marie-Liesse Doublet
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Article dans une revue
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hal-00340106
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Phase Diagrams for Systems with Low Free Energy Variation: A Coupled Theory/Experiments Method Applied to Li-Graphite
Jean-Sébastien Filhol
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C. Combelles
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R. Yazami
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Marie-Liesse Doublet
Article dans une revue
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hal-00273372
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Redox mechanism in the NiP2 electrode for Li-ion batteries: A DFT study coupled with local chemical bond analyses
Jérôme Bernardi
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Frédéric Lemoigno
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Marie-Liesse Doublet
Article dans une revue
istex
hal-00297359
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Structural, magnetic and redox properties of a new cathode material for Li-ion batteries: the iron-based metal organic framework
Cécil Combelles
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Marie-Liesse Doublet
Article dans une revue
istex
hal-00297363
v1
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Electrical Conductivity and Spin Crossover: A New Achievement with a Metal Bis Dithiolene Complex
C. Faulmann
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Kane Jacob
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Stéphane Dorbes
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Stéphane Lampert
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Isabelle Malfant
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Article dans une revue
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hal-00178670
v1
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Determination of Lithium Insertion Sites in LixTiP4 (x = 2-11) by Electron Energy-Loss Spectroscopy
V. Mauchamp
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P. Moreau
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L. Monconduit
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Marie-Liesse Doublet
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Florent Boucher
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Article dans une revue
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hal-00178681
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Mixed-Valence Li/Fe-Based Metal-Organic Frameworks with Both Reversible Redox and Sorption Properties
Gérard Férey
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Franck Millange
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Mathieu Morcrette
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Christian Serre
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Marie-Liesse Doublet
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Article dans une revue
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hal-00178678
v1
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Redox Mechanism in the Binary Transition Metal Phosphide Cu3P
Bruno Mauvernay
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Marie-Liesse Doublet
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Laure Monconduit
Article dans une revue
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hal-00185440
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FeP : Another Attractive Anode for Li-Ion Battery Enlisting a Reversible Two-Step Insertion / Conversion Process
Simeon Boyanov
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Jerome Bernardi
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Frédéric Gillot
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Loïc Dupont
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Manfred Womes
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Article dans une revue
istex
hal-00185451
v1
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Electrochemical Reactivity and Design of NiP2 Negative Electrodes for Secondary Li-Ion Batteries
Frédéric Gillot
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Simeon Boyanov
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Loic Dupont
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Marie-Liesse Doublet
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Mathieu Morcrette
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Article dans une revue
hal-00383231
v1
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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-00004147
v1
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On the Reactivity of Li8-yMnyP4 toward Lithium
Frédéric Gillot
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Laure Monconduit
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Mathieu Morcrette
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Marie-Liesse Doublet
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Loic Dupont
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Article dans une revue
hal-00383215
v1
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Concerning the first-order transition in the κ-phase (BEDT-TTF)4PtCl6 . C6H5CN
Marie-Liesse Doublet
,
Enric Canadell
,
Rimma Shibaeva
Article dans une revue
istex
jpa-00247007
v1
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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
Article dans une revue
istex
jpa-00247003
v1
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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
Article dans une revue
istex
jpa-00246879
v1
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