CE08 - Matériaux métalliques et inorganiques et procédés associés

Nanostructured Materials for Advanced Na Solid-sTate battERies – Na-MASTER

Nanastructured Materials for Solid State Sodium Batteries

The main objective of this project is to develop by the synergic effect of both experiments and theory a full Sodium All Solid-State Battery (Na-ASSB) with superior performances in order to new solutions for electrochemical energy storage devices (cheaper, safzer, ...)

Developing materials for an all-solid state sodium-ion battery

Limiting global warming requires major discoveries in energy storage technologies, leading to rechargeable batteries. The advanced synthesis and characterization techniques in synergy with modelling have enabled the discovery of materials by design, which we apply here. We will discover nanomaterials and nanocomposites for long-lasting and inexpensive Sodium-ion batteries. <br /><br />The replacement of the presently used liquid electrolytes by a non-flammable solid electrolytes is an important avenue to create safer batteries. In this context, sodium (Na)-ion batteries are promising devices for smart grids and electric vehicles due to cost effectiveness arising from the overall abundance of Na and its even geographical distribution. Sodium appears more attractive than Li because it can be “harvested” directly from seawater. Among other factors, the energy density of Na-ion batteries is limited by the positive electrode chemistry. The natrium superionic CONductor (NaSiCON) Na1+xZr2SixP3–xO12 (0 = x = 3) that displays high ion transport and good stability toward other NaSiCON electrodes is a good solid electrolyte for all-NaSiCON-based batteries. Despite the sizeable share of research on Na1+xZr2SixP3–xO12, the structural and thermodynamic properties of NaSiCON electrolytes and its electrode analogues require better understanding for more efficient synthesis and optimization, which often follow chemical intuition.

We will use a synergistic approach possible by bringing together the expertise of the PIs. NUS Singpore: high-throughput density functional theory; potentials for screening ion-transport, solid-state NMR. LRCS Amiens: synthesis, crystallography and electrochemistry; impedance spectroscopy and ASSB manufacturing.

In the first phase of this ANR-NRF research, we analysed the thermodynamic properties of the NaSiCON electrolyte by constructing its phase diagram, using first-principles simulations. Specifically, we built the phase diagram as a function of temperature and composition for Na1+xZr2SixP3–xO12, which we later extend to several positive electrode materials. We built models to accelerate the discovery of fast ion conductors, specifically NaSICON materials. We developed improved doping strategies to maximize the sodium-ion transport in these materials. We have synthesized new contaminant-free NaSICON materials. We used these materials to make solid state batteries.

Several perspectives arise from this project

* Develop protocols for the fabrication of NaSICON-based electrodes and electrolytes. Some of this work is currently in progress. For example, AC impedance measurements were performed in France and Singapore which enabled us to put standardize the preparation of NaSICON sample as well as their measurements.

* Develop holistic models for the design of the next generation of electrodes and electrolytes.

* Develop inexpensive, safe and resilient all-NaSICON solid state batteries. Do note that we have made significant progress in the design of NaSICON electrodes, to pair with the NASICON electrolytes

6) Zirconia-free NaSICON Solid Electrolyte Materials
for Sodium All-solid-state Batteries, A. Kang Tieu, E. Mahayoni, Y. Li, Z. Deng, F. Fauth, J. N. Chotard, V. Seznec, S. Adams, C. Masquelier, P. Canepa, under (minor) revision in J. Mater. Chem. A (2023)

5) Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes, Z. Deng, T. P. Mishra, E. Mahayoni, J.N. Chotard, V. Seznec, A. K. Cheetham, C. Masquelier, G. S. Gautam & P. Canepa
Nature Communications, 13, 4470 (2022)

4) Phase Stability and Sodium-Vacancy Orderings in a NaSICON Electrode, Z. Wang, S. Park, Z. Deng, F. Fauth, D. Carlier, L. Croguennec, C. Masquelier, J. N. Chotard, P. Canepa,
J. Mater. Chem. A., 10, 209-217 (2022) ; DOI : 10.1039/D1TA09249A

3) Crystal Structure of Na2V2(PO4)3, an intriguing phase spotted in the Na3V2(PO4)3 – NaV2(PO4)3 system System, S. Park, Z. Wang, Z. Deng, I. Moog, P. Canepa, F. Fauth, D. Carlier, L. Croguennec, C. Masquelier & J. N. Chotard, Chem. Mater., 34(1), 451-462 (2022) ; DOI : 0.1021/acs.chemmater.1c04033

2) A Chemical Map of NaSiCON Electrode Materials for Sodium-ion Batteries ; B. Singh, Z. Wang, S. Park, G. Sai Gautam, J.N. Chotard, L. Croguennec, D. Carlier, A. K. Cheetham, C. Masquelier & P. Canepa ; J. Mater. Chem. A, 9(1), 281-292 (2021) ; DOI : 10.1039/d0ta10688g

1) Phase Behavior in NaSiCON Electrolytes and Electrodes
Z. Deng, G. Sai Gautam, S. Krishna Kolli, J. N. Chotard, A. K. Cheetham, C. Masquelier & P. Canepa ; Chem. Mater., 32, 7908-7920 (2020) ; DOI: 10.1021/acs.chemmater.0c02695

Limiting global warming requires paradigm-shift discoveries in energy storage, leading to rechargeable batteries that give electric cars the desired 800-km range. The complementary use of synthesis and advanced characterization techniques in synergy with modelling have enabled the discovery of materials by design, which we apply here.

We will discover nanomaterials and nanocomposites for long-lasting and inexpensive Sodium-ion batteries. We will combine computation with experiments to develop novel, inexpensive, NA-Super-Ionic-CONductor (NASICON) solid-electrolytes, NazZr2-yMySixP3-xO12, for safe solid-state batteries (SSB). By optimizing the composition and nanostructure of NaSICONs, we will decrease the operation temperatures of existing SSB from 200°C to ambient temperature.

This synergistic approach is possible by bringing together the expertise of the PIs :
NUS : high-throughput density functional theory; Softbond potentials for screening ion-transport, solid-state NMR.
LRCS : synthesis, crystallography and electrochemistry; impedance spectroscopy and SSB manufacturing.

Project coordinator

Monsieur Christian Masquelier (Laboratoire de Réactivité et Chimie des solides)

The author of this summary is the project coordinator, who is responsible for the content of this summary. The ANR declines any responsibility as for its contents.

Partner

LRCS Laboratoire de Réactivité et Chimie des solides
NUS The National University of Singapore

Help of the ANR 299,330 euros
Beginning and duration of the scientific project: March 2020 - 36 Months

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