Design of Solid Electrolytes with Fast Ion Transport: Computation-Driven and Practical Approaches

Energy Material Advances, Год журнала: 2023, Номер 4

Опубликована: Янв. 1, 2023

For next-generation all-solid-state metal batteries, the computation can lead to discovery of new solid electrolytes with increased ionic conductivity and excellent safety. Based on computational predictions, a proposed electrolyte flat energy landscape fast ion migration is synthesized using traditional synthesis methods. Despite promise predicted candidates, conventional synthetic methods are frequently hampered by extensive optimization procedures overpriced raw materials. It impossible rationally develop novel superionic conductors without comprehensive understanding mechanisms. In this review, we cover mechanisms all emerging approaches that be applied explore conduction in inorganic The general illustrations sulfide oxide structures as well their fundamental features, including paths, dimensionalities, defects, occupancies, systematically discussed. major challenges designing solving strategies highlighted, such lattice softness, polarizability, structural disorder. addition an overview recent findings, propose experimental approach for high-performance electrolytes. This review article will contribute practical conduction, designing, rapid optimization, screening advanced order eliminate liquid

Язык: Английский

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Emerging Battery Technologies to Boost the Clean Energy Transition

˜The œMaterials Research Society series, Год журнала: 2024, Номер unknown

Опубликована: Янв. 1, 2024

This is an open access book. It describes the state-of-the-art and perspectives on role of electrochemical energy storage in a de-carbonized society.

Язык: Английский

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Materials advancements in solid-state inorganic electrolytes for highly anticipated all solid Li-ion batteries

Energy storage materials, Год журнала: 2024, Номер 71, С. 103619 - 103619

Опубликована: Июль 11, 2024

The superior characteristics exhibited by all-solid-state Li-ion batteries (ASSLIBs) have solidified their status as an excellent alternative in the realm of battery development. With noteworthy improvements safety, good energy density, and prolonged lifespan, ASSLIBs emerged a compelling substitute for conventional liquid electrolyte batteries. Solid inorganic electrolytes (SIEs) having high ionic conductivity, broad electrochemical stability window, compatibility with Lithium (Li) metal anodes, become appealing ingredients ASSLIBs. SIEs present distinctive prospect attaining density faster charging capabilities while concurrently mitigating safety risks linked to combustible electrolytes. This article has summarized recent advances useful invasions this field. review started discussion fundamental properties mechanisms SIEs. Then, current progress developing various kinds is comprehensively discussed relevant case studies. expected Li-ions transport are briefly analyzed each type specific examples. inclusive overview provided highly anticipated draw interest from wide range disciplines, specifically material designing storage devices.

Язык: Английский

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Interfacial stability between sulfide solid electrolytes and lithium anodes: Challenges, strategies and perspectives

Nano Energy, Год журнала: 2024, Номер 123, С. 109361 - 109361

Опубликована: Фев. 6, 2024

Язык: Английский

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Halide solid-state electrolytes for all-solid-state batteries: structural design, synthesis, environmental stability, interface optimization and challenges

Chemical Science, Год журнала: 2023, Номер 14(33), С. 8693 - 8722

Опубликована: Янв. 1, 2023

Since the huge breakthrough in 2018, research on halide solid-state electrolytes (SSEs) has set off a new craze. In comparison with oxide and sulfide SSEs, SSEs have more balanced properties various aspects, including ionic conductivity, electrochemical stability window, moisture resistance. Herein, overall knowledge deep understanding of their practical applications all-solid-state batteries (ASSBs) are introduced. Firstly, principle screening SSE components is proposed. Among F, Cl, Br I anions, Cl anion excellent owing to its suitable conductivity window. The Sc, Y, lanthanide elements also compatible anions terms electronegativity. Secondly, structural design theory high mechanism Li ion migration described. A monoclinic structure conducive migration, compared trigonal orthorhombic structures. Additionally, substitution strategies for discussed, mainly dual-halogen, isovalent cation substitution, aliovalent substitution. Furthermore, resistance synthesis method analyzed. Compared reaction mechanochemistry method, wet chemical likely achieve scale-up production SSEs. Finally, application prospects challenges ASSBs outlined.

Язык: Английский

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Interfacial Challenges, processing strategies, and composite applications for high voltage all-solid-state lithium batteries based on halide and sulfide solid-state electrolytes

Energy storage materials, Год журнала: 2023, Номер 64, С. 103072 - 103072

Опубликована: Ноя. 17, 2023

Язык: Английский

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MatGPT: A Vane of Materials Informatics from Past, Present, to Future

Advanced Materials, Год журнала: 2023, Номер 36(6)

Опубликована: Окт. 10, 2023

Abstract Combining materials science, artificial intelligence (AI), physical chemistry, and other disciplines, informatics is continuously accelerating the vigorous development of new materials. The emergence “GPT (Generative Pre‐trained Transformer) AI” shows that scientific research field has entered era intelligent civilization with “data” as basic factor “algorithm + computing power” core productivity. continuous innovation AI will impact cognitive laws methods, reconstruct knowledge wisdom system. This leads to think more about informatics. Here, a comprehensive discussion models infrastructures provided, advances in discovery design are reviewed. With rise paradigms triggered by “AI for Science”, vane informatics: “MatGPT”, proposed technical path planning from aspects data, descriptors, generative models, pretraining directed collaborative training, experimental robots, well efforts preparations needed develop generation informatics, carried out. Finally, challenges constraints faced discussed, order achieve digital, intelligent, automated construction joint interdisciplinary scientists.

Язык: Английский

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Solid-state electrolytes based on metal-organic frameworks for enabling high-performance lithium-metal batteries: Fundamentals, progress, and perspectives

eTransportation, Год журнала: 2024, Номер 20, С. 100311 - 100311

Опубликована: Янв. 4, 2024

Язык: Английский

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Matching strategy between sulfide solid electrolyte and various anodes: electrolyte modification, interface engineering and electrode structure design

Energy storage materials, Год журнала: 2024, Номер 69, С. 103422 - 103422

Опубликована: Апрель 21, 2024

Язык: Английский

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Investigating sulfide-based all solid-state cells performance through P2D modelling

Chemical Engineering Journal Advances, Год журнала: 2024, Номер 18, С. 100610 - 100610

Опубликована: Апрель 16, 2024

All solid-state batteries, combining metallic lithium with a electrolyte, are now considered as very promising answer to the growing need for higher energy density in safer batteries. While research interests quickly raising on this topic, number of experiments perform order find best combination active material and solid electrolyte composition could be infinite. Therefore, an easy low computational-cost model forecasting all cells performance accelerate optimization lower experiments, reaching more rapidly up scalable solution. In work, innovative electrochemical – argyrodite Li6PS5Cl NMC622 cell is developed. particular, two important aspects, characterizing new battery generation, implemented inside P2D model. The first aspect implementation substitution liquid which means using single ion conducting theory, according Ohm's law only equation solved domain. This reduces parameters from three, (ionic conductivity, transference number, mean molar activity coefficient), one, conductivity). second regards anode side, metal chosen, graphite, implies different treatment point view, consider boundary condition instead porous electrode. Such drastic simplification allows, after careful calibration validation based experimental data, obtain reliable charge/discharge profiles at C/10 C/5 cells.

Язык: Английский

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