scholarly journals Computational design of double-layer cathode coatings in all-solid-state batteries

2021 ◽  
Author(s):  
Chuhong Wang ◽  
Koutarou Aoyagi ◽  
Tim Mueller
Keyword(s):  
Solid State ◽  
Lithium Ion Batteries ◽  
Power Density ◽  
Double Layer ◽  
Lithium Ion ◽  
Computational Design ◽  
Superionic Conductors ◽  
Solid State Batteries ◽  
All Solid State Batteries ◽  
Energy And Power Density

All-solid-state lithium-ion batteries have great potential for improved energy and power density compared to conventional lithium-ion batteries. With extensive research efforts devoted to the development of inorganic superionic conductors, lithium...

scholarly journals Computational Design of Double-Layer Cathode Coatings in All-Solid-State Batteries

2021 ◽  
Author(s):  
Chuhong Wang ◽  
Koutarou Aoyagi ◽  
Tim Mueller
Keyword(s):  
Solid State ◽  
Ionic Conductivity ◽  
Lithium Ion Batteries ◽  
Double Layer ◽  
Lithium Ion ◽  
Computational Design ◽  
Superionic Conductors ◽  
Ionic Conductors ◽  
Coating Materials ◽  
Oxide Electrodes

<p>All-solid-state lithium-ion batteries have great potential for improved energy and power density compared to conventional lithium-ion batteries. With extensive research efforts devoted to the development of inorganic superionic conductors, lithium thiophosphates stand out due to their high ionic conductivity and room‐temperature processability. However battery rate performance still suffers from increased impedance attributed to the interfacial reactions between thiophosphate electrolyte and oxide electrodes. Stabilizing the interfaces with a protective coating layer has been proposed as a solution to the interfacial problem, but it is rare for a material to simultaneously exhibit fast ionic conductivity and chemical stability at battery interfaces. Here, we propose a double-layer coating design comprising a sulfide-based layer adjacent to the thiophosphate electrolyte accompanied by a layer that is stable against the oxide cathode. Based on a high-throughput thermodynamic stability screen and active learning molecular dynamics simulations, we identify several sulfide + halide couples that potentially outperform the known coating materials in interfacial stability as well as ionic conductivity. Several halides we identify have been recently identified as novel solid electrolyte candidates. We highlight the integration of fast ionic conductors Li<sub>5</sub>B<sub>7</sub>S<sub>13 </sub>(137 mS cm<sup>−1</sup>), Li<sub>7</sub>Y<sub>7</sub>Zr<sub>9</sub>S<sub>32</sub> (6.5 mS cm<sup>−1</sup>), and Li(TiS<sub>2</sub>)<sub>2</sub> (0.0008 mS cm<sup>−1</sup>) which potentially reduces interfacial reactivity with minor loss of charge transfer rate through the thiophosphate electrolyte.</p>

scholarly journals Computational Design of Double-Layer Cathode Coatings in All-Solid-State Batteries

2021 ◽  
Author(s):  
Chuhong Wang ◽  
Koutarou Aoyagi ◽  
Tim Mueller
Keyword(s):  
Solid State ◽  
Ionic Conductivity ◽  
Lithium Ion Batteries ◽  
Double Layer ◽  
Room Temperature ◽  
Lithium Ion ◽  
Computational Design ◽  
Superionic Conductors ◽  
Coating Materials ◽  
Oxide Electrodes

All-solid-state lithium-ion batteries have great potential for improved energy and power density compared to conventional lithium-ion batteries. With extensive research efforts devoted to the development of inorganic superionic conductors, lithium thiophosphates stand out due to their high ionic conductivity and room‐temperature processability. However battery rate performance still suffers from increased impedance attributed to the interfacial reactions between thiophosphate electrolyte and oxide electrodes. Stabilizing the interfaces with a protective coating layer has been proposed as a solution to the interfacial problem, but it is rare for a material to simultaneously exhibit fast ionic conductivity and chemical stability at battery interfaces. Here, we propose a double-layer coating design comprising a sulfide-based layer adjacent to the thiophosphate electrolyte accompanied by a layer that is stable against the oxide cathode. Based on a high-throughput thermodynamic stability screen and active learning molecular dynamics simulations, we identify several sulfide + halide couples that potentially outperform the known coating materials in interfacial stability as well as ionic conductivity. Several halides we identify have been recently identified as novel solid electrolyte candidates. We highlight the integration of room-temperature fast ionic conductors Li5B7S13 (137 mS cm−1), Li7Y7Zr9S32 (6.5 mS cm−1), and Li(TiS2)2 (0.0008 mS cm−1) which potentially reduces interfacial reactivity with minor loss of charge transfer rate through the thiophosphate electrolyte.

scholarly journals Computational Design of Double-Layer Cathode Coatings in All-Solid-State Batteries

2021 ◽  
Author(s):  
Chuhong Wang ◽  
Koutarou Aoyagi ◽  
Tim Mueller
Keyword(s):  
Solid State ◽  
Ionic Conductivity ◽  
Lithium Ion Batteries ◽  
Double Layer ◽  
Lithium Ion ◽  
Computational Design ◽  
Superionic Conductors ◽  
Ionic Conductors ◽  
Coating Materials ◽  
Oxide Electrodes

<p>All-solid-state lithium-ion batteries have great potential for improved energy and power density compared to conventional lithium-ion batteries. With extensive research efforts devoted to the development of inorganic superionic conductors, lithium thiophosphates stand out due to their high ionic conductivity and room‐temperature processability. However battery rate performance still suffers from increased impedance attributed to the interfacial reactions between thiophosphate electrolyte and oxide electrodes. Stabilizing the interfaces with a protective coating layer has been proposed as a solution to the interfacial problem, but it is rare for a material to simultaneously exhibit fast ionic conductivity and chemical stability at battery interfaces. Here, we propose a double-layer coating design comprising a sulfide-based layer adjacent to the thiophosphate electrolyte accompanied by a layer that is stable against the oxide cathode. Based on a high-throughput thermodynamic stability screen and active learning molecular dynamics simulations, we identify several sulfide + halide couples that potentially outperform the known coating materials in interfacial stability as well as ionic conductivity. Several halides we identify have been recently identified as novel solid electrolyte candidates. We highlight the integration of fast ionic conductors Li<sub>5</sub>B<sub>7</sub>S<sub>13 </sub>(137 mS cm<sup>−1</sup>), Li<sub>7</sub>Y<sub>7</sub>Zr<sub>9</sub>S<sub>32</sub> (6.5 mS cm<sup>−1</sup>), and Li(TiS<sub>2</sub>)<sub>2</sub> (0.0008 mS cm<sup>−1</sup>) which potentially reduces interfacial reactivity with minor loss of charge transfer rate through the thiophosphate electrolyte.</p>

A materials perspective on magnesium-ion-based solid-state electrolytes

2020 ◽  
Vol 8 (6) ◽  
pp. 2875-2897 ◽  
Author(s):  
Prem Wicram Jaschin ◽  
Yirong Gao ◽  
Yao Li ◽  
Shou-Hang Bo
Keyword(s):  
Energy Storage ◽  
Solid State ◽  
Lithium Ion Batteries ◽  
Lithium Ion ◽  
Storage Device ◽  
Magnesium Ion ◽  
Energy Storage Device ◽  
Solid State Batteries ◽  
All Solid State Batteries ◽  
Solid State Electrolytes

As economically viable alternatives to lithium-ion batteries, magnesium-ion-based all-solid-state batteries have been researched to meet the criteria for an ideal energy storage device.

Metal Halide Superionic Conductors for All-Solid-State Batteries

2021 ◽  
Vol 54 (4) ◽  
pp. 1023-1033
Author(s):  
Jianwen Liang ◽  
Xiaona Li ◽  
Keegan R. Adair ◽  
Xueliang Sun
Keyword(s):  
Solid State ◽  
Metal Halide ◽  
Superionic Conductors ◽  
Solid State Batteries ◽  
All Solid State Batteries

Submicronic LiNi1/3Mn1/3Co1/3O2 synthesized by co-precipitation for lithium ion batteries - Tailoring a classic process for enhanced energy and power density

2018 ◽  
Vol 396 ◽  
pp. 527-532 ◽  
Author(s):  
David Peralta ◽  
Jérémie Salomon ◽  
Jean-François Colin ◽  
Adrien Boulineau ◽  
Frédéric Fabre ◽  
...  
Keyword(s):  
Lithium Ion Batteries ◽  
Power Density ◽  
Lithium Ion ◽  
Co Precipitation ◽  
Energy And Power Density

scholarly journals Recycling Strategies for Ceramic All-Solid-State Batteries—Part I: Study on Possible Treatments in Contrast to Li-Ion Battery Recycling

Metals ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 1523
Author(s):  
Lilian Schwich ◽  
Michael Küpers ◽  
Martin Finsterbusch ◽  
Andrea Schreiber ◽  
Dina Fattakhova-Rohlfing ◽  
...  
Keyword(s):  
Energy Storage ◽  
Solid State ◽  
Energy Density ◽  
Lithium Ion ◽  
High Energy ◽  
High Energy Density ◽  
Future Research ◽  
Energy Storage Devices ◽  
Solid State Batteries ◽  
All Solid State Batteries

In the coming years, the demand for safe electrical energy storage devices with high energy density will increase drastically due to the electrification of the transportation sector and the need for stationary storage for renewable energies. Advanced battery concepts like all-solid-state batteries (ASBs) are considered one of the most promising candidates for future energy storage technologies. They offer several advantages over conventional Lithium-Ion Batteries (LIBs), especially with regard to stability, safety, and energy density. Hardly any recycling studies have been conducted, yet, but such examinations will play an important role when considering raw materials supply, sustainability of battery systems, CO2 footprint, and general strive towards a circular economy. Although different methods for recycling LIBs are already available, the transferability to ASBs is not straightforward due to differences in used materials and fabrication technologies, even if the chemistry does not change (e.g., Li-intercalation cathodes). Challenges in terms of the ceramic nature of the cell components and thus the necessity for specific recycling strategies are investigated here for the first time. As a major result, a recycling route based on inert shredding, a subsequent thermal treatment, and a sorting step is suggested, and transferring the extracted black mass to a dedicated hydrometallurgical recycling process is proposed. The hydrometallurgical approach is split into two scenarios differing in terms of solubility of the ASB-battery components. Hence, developing a full recycling concept is reached by this study, which will be experimentally examined in future research.

scholarly journals Co-Sintering Study of Na0.67[Ni0.1Fe0.1Mn0.8]O2 and NaSICON Electrolyte–Paving the way to High Energy Density All-Solid-State Batteries

2021 ◽  
Vol 9 ◽  
Author(s):  
Gerald Dück ◽  
Sahir Naqash ◽  
Martin Finsterbusch ◽  
Uwe Breuer ◽  
Olivier Guillon ◽  
...  
Keyword(s):  
Solid State ◽  
Energy Density ◽  
Cathode Material ◽  
Perfect Match ◽  
High Energy ◽  
High Energy Density ◽  
Superionic Conductors ◽  
Processing Route ◽  
Solid State Batteries ◽  
All Solid State Batteries

Sodium is a promising candidate for stationary storage applications, especially when the demand for lithium-ion batteries increases due to electromobility applications. Even though its energy density is lower, Na-ion technology is estimated to lead to a cost reduction of 30% compared to Li-ion technology. To improve safety as well as energy density, Na-based all-solid-state-batteries featuring solid electrolytes such as beta-alumina and sodium superionic conductors and cathode materials such as Na3V2(PO4)3 and NaxCoO2 have been developed over the past years. However, the biggest challenge are mixed cathodes with highly conductive interfaces, especially when co-sintering the materials. For example, a promising sodium superionic conductor type Na3Zr2Si2PO12 electrolyte sinters at 1,250°C, whereas the corresponding Na3V2PO12 cathode decomposes at temperatures higher than 900°C, posing a bottleneck. Thus in this paper, we synthesized Na0.62 [Ni0.10Fe0.10Mn0.80]O2 as cathode material for all-solid-state sodium-ion batteries via a relatively cheap and easy solution-assisted solid state reaction processing route. The thermal investigations of the pure cathode material found no degradation up to 1,260°C, making it a perfect match for Na3.4Zr2Si2.4P0.6O12 electrolyte. In our aim to produce a co-sintered mixed cathode, electron microscopy investigation showed a highly dense microstructure and the elemental mapping performed via energy dispersive X-ray spectroscopy and secondary ion mass spectrometry confirm that Na3.4Zr2Si2.4P0.6O12 and Na0.62 [Ni0.10Fe0.10Mn0.80]O2 do not react during sintering. However, the active cathode material forms a sodium rich and a sodium deficient phase which needs further investigation to understand the origin and its impact on the electrochemical performance.

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