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1. Designing Strain-less Electrode Materials: Computational Analysis of Volume Variations in Li-ion and Na-ion Batteries

Author

Maréchal, Maxime, Berthelot, Romain, Rozier, Patrick, and Saubanère, Matthieu

Subjects
Condensed Matter - Materials Science
Abstract

Mechanical degradation in electrode materials during successive electrochemical cycling is critical for battery lifetime and aging properties. A common strategy to mitigate electrode mechanical degradation is to suppress the volume variation induced by Li/Na intercalation/deintercalation, thereby designing strain-less electrodes. In this study, we investigate the electrochemically-induced volume variation in layered and spinel compounds used in Li-ion and Na-ion battery electrode materials through density functional theory computations. Specifically, we propose to decompose the volume variation into electronic, ionic, and structural contributions. Based on this analysis, we suggest methods to separately influence or control each contribution through strategies such as chemical substitution, doping, and polymorphism. Altogether, we conclude that volume variations can be controlled by designing either mechanically hard or compact electrode materials.

Published
2024

3. A general Lewis acidic etching route for preparing MXenes with enhanced electrochemical performance in non-aqueous electrolyte

Author

Li, Youbing, Shao, Hui, Lin, Zifeng, Lu, Jun, Persson, Per O. A., Eklund, Per, Hultman, Lars, Li, Mian, Chen, Ke, Zha, Xian-Hu, Du, Shiyu, Rozier, Patrick, Chai, Zhifang, Raymundo-Piñero, Encarnacion, Taberna, Pierre-Louis, Simon, Patrice, and Huang, Qing

Subjects
Physics - Applied Physics, Condensed Matter - Materials Science
Abstract

Two-dimensional carbides and nitrides of transition metals, known as MXenes, are a fast-growing family of 2D materials that draw attention as energy storage materials. So far, MXenes are mainly prepared from Al-containing MAX phases (where A = Al) by Al dissolution in F-containing solution, but most other MAX phases have not been explored. Here, a redox-controlled A-site-etching of MAX phases in Lewis acidic melts is proposed and validated by the synthesis of various MXenes from unconventional MAX phase precursors with A elements Si, Zn, and Ga. A negative electrode of Ti3C2 MXene material obtained through this molten salt synthesis method delivers a Li+ storage capacity up to 738 C g-1 (205 mAh g-1) with high-rate performance and pseudocapacitive-like electrochemical signature in 1M LiPF6 carbonate-based electrolyte. MXene prepared from this molten salt synthesis route offer opportunities as high-rate negative electrode material for electrochemical energy storage applications.

Published
2019

10. Enhancing the Phase Stability of γ-Phase Li3VO4 for High-Performance Hybrid Supercapacitors: Investigating Influential Factors and Mechanistic Insights

Author

Kondo, Tatsuya, primary, Matsumura, Keisuke, additional, Rozier, Patrick, additional, Simon, Patrice, additional, Machida, Kenji, additional, Takeda, Sekihiro, additional, Ishimoto, Shuichi, additional, Tamamitsu, Kenji, additional, Iwama, Etsuro, additional, Naoi, Wako, additional, and Naoi, Katsuhiko, additional

Published
2024
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12. Designing a Cost‐Effective and Sustainable Process for the Efficient Production of Planar Anode‐Supported Solid Oxide Fuel Cells.

Author

Parvaix, Laura, Lenormand, Pascal, and Rozier, Patrick

Subjects
HEAT treatment, MANUFACTURING processes, TAPE casting, SUSTAINABLE design, SLURRY
Abstract

A sustainable process is designed to produce anode‐supported solid oxide fuel cells (SOFCs). Environmentally friendly solvents and additives are selected to prepare sequentially cast slurries to obtain a flexible multilayer tape whose cohesion is ensured by a 3D network of binder. This tape includes the components of the oxide precursor of the half cell with the functional and structural part of the anode. The optimization of debinding and sintering processes allows converting green tape into sintered multilayer ceramic using a single heat treatment. The use of optimized loads maintains planarity of samples with adjusted shape (circular to square) and size (from 0.8 up to 8 cm2) of anodic half cell. The cell's oxide precursor is supplemented by screen printing the cathode and converted to anode‐support SOFC when the cell is first used. The whole process maintains mechanical integrity, microstructure of structured components, and insures interfaces enabling charge transfer high enough to achieve standard performances such as power of 411 mW cm−2. The selection of cheap and harmless solvents and additives and the optimization of heat treatment lead to an ecocompatible low‐cost process for manufacturing SOFCs, easily transferable to the industrial scale and suitable for the manufacture of all systems based on ceramic multilayers. [ABSTRACT FROM AUTHOR]

Published
2024
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13. Elucidation of the redox activity of Ca2MnO3.5 and CaV2O4 in calcium batteries using operando XRD: charge compensation mechanism and reversibility

Author

European Commission, Ministerio de Ciencia, Innovación y Universidades (España), Recio Poo, Miguel [0000-0001-5297-3865], Rozier, Patrick [0000-0002-7879-4344], Forero Saboya, Juan D. [0000-0002-3403-6066], Fauth, François [0000-0001-9465-3106], Palacín, M. Rosa [0000-0001-7351-2005], Black, Ashley P., Frontera, Carlos, Torres, Arturo, Recio Poo, Miguel, Rozier, Patrick, Forero Saboya, Juan, Fauth, François, Urones Garrote, Esteban, Arroyo de Dompablo, M. Elena, Palacín, M. Rosa, European Commission, Ministerio de Ciencia, Innovación y Universidades (España), Recio Poo, Miguel [0000-0001-5297-3865], Rozier, Patrick [0000-0002-7879-4344], Forero Saboya, Juan D. [0000-0002-3403-6066], Fauth, François [0000-0001-9465-3106], Palacín, M. Rosa [0000-0001-7351-2005], Black, Ashley P., Frontera, Carlos, Torres, Arturo, Recio Poo, Miguel, Rozier, Patrick, Forero Saboya, Juan, Fauth, François, Urones Garrote, Esteban, Arroyo de Dompablo, M. Elena, and Palacín, M. Rosa

Abstract

Ca2MnO3.5 and CaV2O4 were found to be potentially interesting as positive electrode materials for calcium metal-based high-energy density batteries with DFT-predicted average voltages of 3.7 V and 2.5 V and energy barriers for Ca migration of 1.1 eV and 0.6 eV, respectively. Both compounds were prepared by solid state reaction under reducing atmospheres. Optimum conditions to achieve Ca2MnO3.5 comprised the reduction of Ca2MnO4 under NH3 gas at 420⁰C with a flow rate of 1200 ml/min while CaV2O4 was achieved by reduction of CaV2O6 at 700 ⁰C under H2 flow. Electrochemical oxidation of Ca2MnO3.5 in lithium or calcium cells resulted in the formation of an orthorhombic phase with cell parameter (a= 5.2891(1), b= 10.551(2), c= 12.1422(1)). Operando synchrotron radiation diffraction experiments indicate that the charge compensation mechanism is not related to Ca2+ extraction but to intercalation of F− (originated from electrolyte salt decomposition) into the anion vacancy position, as confirmed by EELS and EDS. This process was found to be irreversible. In the case of CaV2O4, oxidation induces the electrochemical extraction of calcium with the formation of an orthorhombic phase (space group Pbnm) with cell parameters a = 10.72008(9) Å, b = 9.20213(2) Å and c = 2.89418(3) Å. The process was also investigated via operando synchrotron radiation diffraction, with the oxidized phase being found to reintercalate Ca2+ ions upon reduction, with the formation of a solid solution. Preliminary cycling tests reveals a decrease in the polarization after the first cycle and call for further investigation of this system.

Published
2022

15. Elucidation of the redox activity of Ca2MnO3. 5 and CaV2O4 in calcium batteries using operando XRD: charge compensation mechanism and reversibility

Author

Black, Ashley, Frontera, Carlos, Torres, Arturo, Recio-Poo, Miguel, Rozier, Patrick, Forero-Saboya, juan, Faith, Francois, Urones-Garrote, Esteban, Arroyo De Dompablo, María Elena, Palacin, M. Rosa, Black, Ashley, Frontera, Carlos, Torres, Arturo, Recio-Poo, Miguel, Rozier, Patrick, Forero-Saboya, juan, Faith, Francois, Urones-Garrote, Esteban, Arroyo De Dompablo, María Elena, and Palacin, M. Rosa

Abstract

Depto. de Química Inorgánica, Fac. de Ciencias Químicas, TRUE, pub

Published
2023

19. Investigation of Chemical and Thermal Stability of Li7−xLa3Zr2−xTaxO12 Garnet Type Solid-State Electrolyte to Assemble Self-Standing Li-based All Solid-State Battery

Author

Charrad, Ghassen, Pradeilles, Sarah, Berthelot, Romain, Taberna, P.-L., Simon, Patrice, Rozier, Patrick, Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Réseau sur le stockage électrochimique de l'énergie (RS2E), Aix Marseille Université (AMU)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Nantes Université (Nantes Univ)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Université de Montpellier (UM), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), and ANR-16-CARN-0008,UT ,Institut Carnot

Subjects
Garnet structure type, Layered oxides, Solid-State electrolytes, Spark plasma sintering, All solid-state batteries, [CHIM]Chemical Sciences
Abstract

All solid-state batteries (ASSB) are the next generation of safe and high-energy-density energy storage technology. Their development is currently impeded by the stability issues of solid-state electrolyte (SSE) limiting the creation of interfaces of quality high enough to ensure efficient transfer of charges. The garnet Li7−xLa3Zr2−xTaxO12 (LLZO:Ta) is one of the most appealing oxide-based SSE but its high sensitivity to moist air engenders difficulties in designing process to densify and assemble components of the ASSB. Based on a careful investigation of LLZO:Ta thermal and chemical stability, a heat treatment is designed and shown to fully reverse the protonation process. The investigation of spark plasma sintering protocols confirms that pretreated LLZO:Ta can be densified at a temperature as low as 850 °C or with a short duration (few seconds) at 900 °C. The characterization of obtained ceramics shows conductivities close to the bulk properties and confirms the absence of influence of grain boundaries. The study of composite electrodes shows that LLZO:Ta is suitable to act both as SSE separator and ionic percolator in positive electrode, the selection of active material remains the main issue to target self-standing Li-based ASSB.

Published
2023
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23. Planar Solid Oxide Fuel Cell Fabricated by Aqueous Reverse Sequential Tape‐Casting of the Anode, Electrolyte, and Barrier Layer.

Author

Parvaix, Laura, Duluard, Sandrine, Ansart, Florence, Lenormand, Pascal, and Rozier, Patrick

Subjects
SOLID oxide fuel cells, ELECTROLYTES, ANODES, SLURRY, GAS as fuel, SCREEN process printing, RHEOLOGY
Abstract

A low‐cost manufacturing procedure has been developed for the fabrication of planar anode‐supported solid oxide fuel cell including only two thermal treatments. This method is also environmental friendly because slurries are water based and use nontoxic additives. Slurries are formulated by optimizing the powder quantity, by minimizing the organic compounds while controlling their stabilities and their rheological properties. Flexible multilayer green tapes have been produced by using the reverse sequential tape‐casting method. After a cosintering thermal treatment under loads, planar anodic half‐cells have been produced allowing the deposition of a La2NiO4+δ cathode by screen printing. After the final consolidation thermal treatment, the cell presents a 30 μm‐thick porous cathode, a 530 μm‐thick NiO‐YSZ porous anode, and a 80 μm‐thick dense electrolyte with a gradient of composition: 10GDC on the cathode side to prevent the apparition of the La2Zr2O7 insulating phase and 8YSZ on the anode side to avoid the reduction of 10GDC with the fuel gas. Power densities present promising performances (319 mW cm−2 at 830 °C) given that electrolyte thickness and electrochemical system measurement may be improved. [ABSTRACT FROM AUTHOR]

Published
2023
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24. Enhancing the Phase Stability of γ-Phase Li3VO4for High-Performance Hybrid Supercapacitors: Investigating Influential Factors and Mechanistic Insights

Author

Kondo, Tatsuya, Matsumura, Keisuke, Rozier, Patrick, Simon, Patrice, Machida, Kenji, Takeda, Sekihiro, Ishimoto, Shuichi, Tamamitsu, Kenji, Iwama, Etsuro, Naoi, Wako, and Naoi, Katsuhiko

Abstract

This study explores the potential of titanium ion (Ti4+) substitution in γ-Li3VO4(γ-LVO) as an anode material for high-energy supercapacitors. A series of Li3+xV1–xTixO4(x= 0, 0.05, 0.10, 0.15, and 0.20) are systematically synthesized to vary the Ti-substitution ratio within LVO, and their crystal phases were analyzed using X-ray diffraction (XRD). Additionally, the reactivity of Ti during charge–discharge cycles is assessed by monitoring in situ X-ray absorption fine structure (XAFS) spectral changes. Quenching methods and XRD measurements quantitatively reveal that substituting 20 atom % of V5+with Ti4+achieves a single-phase γ-LVO, distinct from the nonsubstituted LVO (β-phase LVO). The Ti-substituted γ-phase LVO electrode displays a supercapacitor-like voltage curve and exceptional high-power performance during charge–discharge tests, benefiting from its high ionic conductivity stemming from the LISICON (Lithium Super Ionic CONductor) crystal structure. Furthermore, the Ti-substituted γ-phase LVO electrode exhibits an impressive rate capability, retaining 50% of its capacity at a very high current density of 2 A g–1(10C-rate), while the nonsubstituted LVO retained only 13% under the same conditions. GITT analysis confirms a 100-fold higher Li+diffusion coefficient for the Ti-substituted γ-phase LVO electrode. A novel approach is employed to examine the kinetic effects of Ti substitution on γ-phase stabilization: halting or quenching the γ → β phase transition during cooling using liquid nitrogen, coupled with XRD measurements, facilitates a quantitative evaluation of the phase transition rate. The primary goal of this study is to conduct a comprehensive assessment of the crystal structure and its stability by taking advantage of the excellent traceability of the Ti element through X-ray measurements to achieve this aim.

Published
2024
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29. Investigation of Chemical and Thermal Stability of Li7−xLa3Zr2−xTaxO12 Garnet Type Solid‐State Electrolyte to Assemble Self‐Standing Li‐based All Solid‐State Battery

Author

Charrad, Ghassen, Pradeilles, Sarah, Berthelot, Romain, Taberna, Pierre-Louis, Simon, Patrice, and Rozier, Patrick

Subjects
SOLID electrolytes, CHEMICAL stability, THERMAL stability, HEAT treatment, CHARGE transfer, TANTALUM, GARNET
Abstract

All solid‐state batteries (ASSB) are the next generation of safe and high‐energy‐density energy storage technology. Their development is currently impeded by the stability issues of solid‐state electrolyte (SSE) limiting the creation of interfaces of quality high enough to ensure efficient transfer of charges. The garnet Li7−xLa3Zr2−xTaxO12 (LLZO:Ta) is one of the most appealing oxide‐based SSE but its high sensitivity to moist air engenders difficulties in designing process to densify and assemble components of the ASSB. Based on a careful investigation of LLZO:Ta thermal and chemical stability, a heat treatment is designed and shown to fully reverse the protonation process. The investigation of spark plasma sintering protocols confirms that pretreated LLZO:Ta can be densified at a temperature as low as 850 °C or with a short duration (few seconds) at 900 °C. The characterization of obtained ceramics shows conductivities close to the bulk properties and confirms the absence of influence of grain boundaries. The study of composite electrodes shows that LLZO:Ta is suitable to act both as SSE separator and ionic percolator in positive electrode, the selection of active material remains the main issue to target self‐standing Li‐based ASSB. [ABSTRACT FROM AUTHOR]

Published
2023
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33. Elucidation of the redox activity of Ca2MnO3. 5 and CaV2O4 in calcium batteries using operando XRD: charge compensation mechanism and reversibility

Author

Black, Ashley, Frontera, Carlos, Torres, Arturo, Recio-Poo, Miguel, Rozier, Patrick, Forero-Saboya, juan, Faith, Francois, Urones-Garrote, Esteban, Arroyo De Dompablo, María Elena, Palacin, Maria Rosa, Black, Ashley, Frontera, Carlos, Torres, Arturo, Recio-Poo, Miguel, Rozier, Patrick, Forero-Saboya, juan, Faith, Francois, Urones-Garrote, Esteban, Arroyo De Dompablo, María Elena, and Palacin, Maria Rosa

Abstract

Ca2MnO3.5 and CaV2O4 were found to be potentially interesting as positive electrode materials for calcium metal-based high-energy density batteries with DFT-predicted average voltages of 3.7 V and 2.5 V and energy barriers for Ca migration of 1.1 eV and 0.6 eV, respectively. Both compounds were prepared by solid state reaction under reducing atmospheres. Optimum conditions to achieve Ca2MnO3.5 comprised the reduction of Ca2MnO4 under NH3 gas at 420⁰C with a flow rate of 1200 ml/min while CaV2O4 was achieved by reduction of CaV2O6 at 700 ⁰C under H2 flow. Electrochemical oxidation of Ca2MnO3.5 in lithium or calcium cells resulted in the formation of an orthorhombic phase with cell parameter (a= 5.2891(1), b= 10.551(2), c= 12.1422(1)). Operando synchrotron radiation diffraction experiments indicate that the charge compensation mechanism is not related to Ca2+ extraction but to intercalation of F− (originated from electrolyte salt decomposition) into the anion vacancy position, as confirmed by EELS and EDS. This process was found to be irreversible. In the case of CaV2O4, oxidation induces the electrochemical extraction of calcium with the formation of an orthorhombic phase (space group Pbnm) with cell parameters a = 10.72008(9) Å, b = 9.20213(2) Å and c = 2.89418(3) Å. The process was also investigated via operando synchrotron radiation diffraction, with the oxidized phase being found to reintercalate Ca2+ ions upon reduction, with the formation of a solid solution. Preliminary cycling tests reveals a decrease in the polarization after the first cycle and call for further investigation of this system., Depto. de Química Inorgánica, Fac. de Ciencias Químicas, TRUE, pub

Published
2022

35. Elucidation of the redox activity of Ca2MnO3.5 and CaV2O4 in calcium batteries using operando XRD: charge compensation mechanism and reversibility

Author

Black, Ashley P., primary, Frontera, Carlos, additional, Torres, Arturo, additional, Recio-Poo, Miguel, additional, Rozier, Patrick, additional, Forero-Saboya, Juan D., additional, Fauth, François, additional, Urones-Garrote, Esteban, additional, Arroyo-de Dompablo, M. Elena, additional, and Palacín, M. Rosa, additional

Published
2022
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37. Electrochemically Induced Deformation Determines the Rate of Lithium Intercalation in Bulk TiS2

Author

Fleischmann, Simon, Shao, Hui, Taberna, Pierre-Louis, Rozier, Patrick, Simon, Patrice, Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), and Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)

Subjects
Kinetics, Intercalation, Layered materials, [CHIM.MATE]Chemical Sciences/Material chemistry, Lithium, Materials
Abstract

International audience; Understanding the kinetic limitations of intercalation reactions is essential to create high-power intercalation host materials. In this Letter, we show the existence of both diffusionlimited and non-diffusion-limited lithiation regimes in the model material bulk TiS 2. The regions can be clearly identified by electrochemical impedance spectroscopy. A decreasing chargetransfer resistance is observed with increasing electrode polarization in the diffusion-limited region, whereas it remains constant when the electrochemical process is non-diffusionlimited. We highlight how TiS 2 interlayer deformation is closely tied to the intercalation kinetics. While regions of TiS 2 interlayer expansion/contraction are correlated with diffusion limitations, lithiation occurring under constant interlayer spacing is nondiffusion-limited: the material exhibits pseudocapacitive behavior. Larger TiS 2 interlayer spacing results in faster ionic transport. The study sheds light on the close ties between deformation, interlayer distance, and intercalation kinetics in a model layered host material.

Published
2021
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39. In Situ Synthesis of MXene with Tunable Morphology by Electrochemical Etching of MAX Phase Prepared in Molten Salt.

Author

Liu, Liyuan, Zschiesche, Hannes, Antonietti, Markus, Gibilaro, Mathieu, Chamelot, Pierre, Massot, Laurent, Rozier, Patrick, Taberna, Pierre‐Louis, and Simon, Patrice

Subjects
FUSED salts, TRANSITION metal carbides, ETCHING, ENERGY storage, CARBON nanotubes, OXIDATION-reduction reaction, GRAPHENE oxide, ANODES
Abstract

MXenes, a rapidly growing family of 2D transition metal carbides, carbonitrides, and nitrides, are one of the most promising high‐rate electrode materials for energy storage. Despite the significant progress achieved, the MXene synthesis process is still burdensome, involving several procedures including preparation of MAX, etching of MAX to MXene, and delamination. Here, a one‐pot molten salt electrochemical etching (E) method is proposed to achieve Ti2C MXene directly from elemental substances (Ti, Al, and C), which greatly simplifies the preparation process. In this work, different carbon sources, such as carbon nanotubes (CNT) and reduced graphene oxide (rGO), are reacted with Ti and Al micro‐powders to prepare Ti2AlC MAX with 1D and 2D tuned morphology followed by in situ electrochemical etching from Ti2AlC MAX to Ti2CTx MXene in low‐cost LiCl‐KCl. The introduction of the O surface group via further ammonium persulfate (APS) treatment can act in concert with Cl termination to activate the pseudocapacitive redox reaction of Ti2CClyOz in the non‐aqueous electrolyte, resulting in a Li+ storage capacity of up to 857 C g−1 (240 mAh g−1) with a high rate (86 mAh g−1 at 120 C) capability, which makes it promising for use as an anode material for fast‐charging batteries or hybrid devices in a non‐aqueous energy storage application. [ABSTRACT FROM AUTHOR]

Published
2023
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43. Alkali Ions Pre‐Intercalated Layered MnO 2 Nanosheet for Zinc‐Ions Storage

Author

Liu, Liyuan, Wu, Yih‐Chyng, Huang, Liang, Liu, Kaisi, Duployer, Benjamin, Rozier, Patrick, Taberna, Pierre‐Louis, Simon, Patrice, Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), and Huazhong University of Science and Technology [Wuhan] (HUST)

Subjects
[CHIM]Chemical Sciences, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2021
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46. Phosphorus Substitution in Li3VO4Anode: Investigating Polymorphic Stability and Unconventional Redox Potential Modulation

Author

Matsumura, Keisuke, Rozier, Patrick, Matsuura, Taro, Iwama, Etsuro, Naoi, Wako, Simon, Patrice, and Naoi, Katsuhiko

Abstract

This study provides an in-depth investigation into the interplay between crystal polymorphs and phosphorus (P) substitution in wurtzite-type Li3V1–xPxO4(LVPO), focusing on how crystal phase and P-substitution effects can be independently optimized to enhance electrochemical properties as anodes in lithium-ion based energy storage systems. Through precise control of the cooling rate after high-temperature synthesis, both β- and γ-phase LVPO can be reproducibly synthesized with identical P content. Powder X-ray diffraction (XRD) and in situ XRD analyses reveal that increasing P content results in a progressive stabilization of the γ-phase, demonstrating the pivotal role of P-substitution in altering the crystal structure. Electrochemical characterizations confirm that both β- and γ-LVPO exhibits smooth, single-phase (solid-solution-type) Li+de/intercalation without undergoing any phase transition, a key feature that differentiates it from nonsubstituted β-Li3VO4. Galvanostatic intermittent titration technique (GITT) measurements show that the Li-ion diffusion coefficients follow opposing trends in β- and γ-LVPO as P content increases, providing a clear explanation for the superior rate capabilities observed in γ-LVPO. In addition, the study highlights an intriguing finding: P-substitution lowers the electrochemical redox potential, counteracting the conventional inductive effect typically reported in phosphate-based materials, thus revealing a novel mechanism by which redox behavior is sensitively influenced by local crystal environments. This work significantly advances the fundamental understanding of structure–property relationships in wurtzite-type materials, particularly in relation to how P-substitution and crystal phase transitions can optimize electrode performance. Moreover, the findings emphasize the potential of compositional and crystallographic tuning as a powerful strategy to develop high-rate anode materials with enhanced stability, improved Li+diffusion, and controlled redox behavior, ultimately paving the way for the design of more efficient, stable, and high-rate lithium-ion energy systems.

Published
2025
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47. Facile Synthesis of a Common Na‐Ion Battery Cathode Material Na3V2(PO4)2F3 by Spark Plasma Sintering

Author

Nadeina, Arina, Rozier, Patrick, Seznec, Vincent, Laboratoire réactivité et chimie des solides - UMR CNRS 7314 (LRCS), Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), Réseau sur le stockage électrochimique de l'énergie (RS2E), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Aix Marseille Université (AMU)-Université de Pau et des Pays de l'Adour (UPPA)-Université de Nantes (UN)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Université de Picardie Jules Verne (UPJV)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Nantes (UN)-Aix Marseille Université (AMU)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Collège de France (CdF (institution))-Université de Picardie Jules Verne (UPJV)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut polytechnique de Grenoble - Grenoble Institute of Technology (Grenoble INP ), Université Grenoble Alpes (UGA)-Université Grenoble Alpes (UGA), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Centre National de la Recherche Scientifique - CNRS (FRANCE), Collège de France (FRANCE), Ecole Nationale Supérieure de Chimie de Paris - ENSCP (FRANCE), Ecole Nationale Supérieure de Chimie de Montpellier - ENSCM (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Institut polytechnique de Grenoble (FRANCE), Sorbonne Université (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Université de Nantes (FRANCE), Université de Picardie Jules Verne (FRANCE), PSL Research University (FRANCE), Université de Pau et des Pays de l'Adour - UPPA (FRANCE), Université de Grenoble (FRANCE), Université de Haute Alsace - UHA (FRANCE), and Université de Montpellier (FRANCE)

Subjects
Energie électrique, Cathode materials, Matériaux, Spark plasma sintering, [SPI.NRJ]Engineering Sciences [physics]/Electric power, Solid-state synthesis, Sodium-ion batteries, [SPI.MAT]Engineering Sciences [physics]/Materials
Abstract

International audience; In the pursuit of facile, fast, and efficient methods for the synthesis of various compounds for a variety of applications, spark plasma sintering (SPS) technique is considered to be a powerful and simple tool. Using this technique, a popular cathode material for Na‐ion batteries—Na3V2(PO4)2F3—is synthesized and characterized with X‐ray diffraction and scanning electron microscopy (SEM), and is electrochemically tested in Swagelok‐type cells in a galvanostatic mode. The obtained material is compared with the conventionally synthesized (via a solid‐state route) sample. SEM analysis shows 2 times smaller particles in the case of SPS‐synthesized material compared with the solid‐state‐synthesized material which is to be expected from the fast (40 min in total) SPS synthesis that practically excludes grain/particle growth and promotes much faster diffusion, thereby drastically enhancing the reaction kinetics. Electrochemical performance of the SPS‐obtained material shows an improvement in decreasing the overpotential and reducing the capacity loss at high C‐rates (8C).

Published
2020
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