Liquid electrolyte: The nexus of practical lithium metal batteries

Joule, Journal Year: 2022, Volume and Issue: 6(3), P. 588 - 616

Published: Jan. 20, 2022

Language: Английский

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Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

Chemical Reviews, Journal Year: 2022, Volume and Issue: 122(12), P. 10970 - 11021

Published: May 16, 2022

Rechargeable batteries have become indispensable implements in our daily life and are considered a promising technology to construct sustainable energy systems the future. The liquid electrolyte is one of most important parts battery extremely critical stabilizing electrode–electrolyte interfaces constructing safe long-life-span batteries. Tremendous efforts been devoted developing new solvents, salts, additives, recipes, where molecular dynamics (MD) simulations play an increasingly role exploring structures, physicochemical properties such as ionic conductivity, interfacial reaction mechanisms. This review affords overview applying MD study electrolytes for rechargeable First, fundamentals recent theoretical progress three-class summarized, including classical, ab initio, machine-learning (section 2). Next, application exploration electrolytes, probing bulk structures 3), deriving macroscopic conductivity dielectric constant 4), revealing mechanisms 5), sequentially presented. Finally, general conclusion insightful perspective on current challenges future directions provided. Machine-learning technologies highlighted figure out these challenging issues facing research promote rational design advanced next-generation

Language: Английский

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Comprehensive recycling of lithium-ion batteries: Fundamentals, pretreatment, and perspectives

Energy storage materials, Journal Year: 2022, Volume and Issue: 54, P. 172 - 220

Published: Oct. 17, 2022

Language: Английский

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Deep learning to estimate lithium-ion battery state of health without additional degradation experiments

Nature Communications, Journal Year: 2023, Volume and Issue: 14(1)

Published: May 13, 2023

State of health is a critical state which evaluates the degradation level batteries. However, it cannot be measured directly but requires estimation. While accurate estimation has progressed markedly, time- and resource-consuming experiments to generate target battery labels hinder development methods. In this article, we design deep-learning framework enable in absence labels. This integrates swarm deep neural networks equipped with domain adaptation produce We employ 65 commercial batteries from 5 different manufacturers 71,588 samples for cross-validation. The validation results indicate that proposed can ensure absolute errors less than 3% 89.4% (less 5% 98.9% samples), maximum error 8.87% work emphasizes power learning precluding highlights promise rapid management algorithms new-generation using only previous experimental data.

Language: Английский

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Chemomechanics of Rechargeable Batteries: Status, Theories, and Perspectives

Chemical Reviews, Journal Year: 2022, Volume and Issue: 122(15), P. 13043 - 13107

Published: July 15, 2022

Chemomechanics is an old subject, yet its importance has been revived in rechargeable batteries where the mechanical energy and damage associated with redox reactions can significantly affect both thermodynamics rates of key electrochemical processes. Thanks to push for clean advances characterization capabilities, significant research efforts last two decades have brought about a leap forward understanding intricate chemomechanical interactions regulating battery performance. Going forward, it necessary consolidate scattered ideas literature into structured framework future across multidisciplinary fields. This review sets out distill structure what authors consider be recent developments on study chemomechanics concise accessible format audiences different backgrounds electrochemistry, materials, mechanics. Importantly, we significance context performance, as well mechanistic by combining electrochemical, perspectives. We discuss coupling between elements electrochemistry mechanics, experimental modeling tools from small large scales, design considerations. Lastly, provide our perspective ongoing challenges opportunities ranging quantifying degradation manufacturing materials developing cyclic protocols improve resilience.

Language: Английский

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Porous Flow Field for Next-Generation Proton Exchange Membrane Fuel Cells: Materials, Characterization, Design, and Challenges

Chemical Reviews, Journal Year: 2022, Volume and Issue: 123(3), P. 989 - 1039

Published: Dec. 29, 2022

Porous flow fields distribute fuel and oxygen for the electrochemical reactions of proton exchange membrane (PEM) cells through their pore network instead conventional channels. This type has showed great promises in enhancing reactant supply, heat removal, electrical conduction, reducing concentration performance loss improving operational stability cells. review presents research development progress porous with insights next-generation PEM high power density (e.g., ∼9.0 kW L–1). Materials, fabrication methods, fundamentals, cell associated are discussed depth. Major challenges described explained, along several future directions, including separated gas/liquid configurations, integrated structure, full morphology modeling, data-driven artificial intelligence-assisted design/optimization.

Language: Английский

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A Review of Transition Metal Boride, Carbide, Pnictide, and Chalcogenide Water Oxidation Electrocatalysts

Chemical Reviews, Journal Year: 2023, Volume and Issue: 123(23), P. 12795 - 13208

Published: Nov. 15, 2023

Transition metal borides, carbides, pnictides, and chalcogenides (X-ides) have emerged as a class of materials for the oxygen evolution reaction (OER). Because their high earth abundance, electrical conductivity, OER performance, these electrocatalysts potential to enable practical application green energy conversion storage. Under potentials, X-ide demonstrate various degrees oxidation resistance due differences in chemical composition, crystal structure, morphology. Depending on oxidation, catalysts will fall into one three post-OER electrocatalyst categories: fully oxidized oxide/(oxy)hydroxide material, partially core@shell unoxidized material. In past ten years (from 2013 2022), over 890 peer-reviewed research papers focused electrocatalysts. Previous review provided limited conclusions omitted significance "catalytically active sites/species/phases" this review, comprehensive summary (i) experimental parameters (e.g., substrates, loading amounts, geometric overpotentials, Tafel slopes, etc.) (ii) electrochemical stability tests post-analyses publications from 2022 is provided. Both mono polyanion X-ides are discussed classified with respect material transformation during OER. Special analytical techniques employed study reconstruction also evaluated. Additionally, future challenges questions yet be answered each section. This aims provide researchers toolkit approach showcase necessary avenues investigation.

Language: Английский

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Scaling up high-energy-density sulfidic solid-state batteries: A lab-to-pilot perspective

Joule, Journal Year: 2022, Volume and Issue: 6(8), P. 1755 - 1769

Published: Aug. 1, 2022

Language: Английский

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Electrostatic Potential as Solvent Descriptor to Enable Rational Electrolyte Design for Lithium Batteries

Advanced Energy Materials, Journal Year: 2023, Volume and Issue: 13(22)

Published: April 14, 2023

Abstract Artificial intelligence/machine learning (AI/ML) applied to battery research is considered be a powerful tool for accelerating the cycle. However, development of appropriate materials descriptors often first hurdle toward implementing meaningful and accurate AI/ML. Currently, rational solvent selection remains significant challenge in electrolyte still based on experiments. The dielectric constant (ε) donor number (DN) design are insufficient. Finding theoretically computable evaluating Li + solvation step development. Here, electrostatic interaction between solvent, potential (ESP) calculated by density functional theory calculations reveals regularity. ESP as direct simple descriptor conveniently designing electrolytes proposed. lowest negative (ESP min ) ensures nucleophilic capacity solvating weak means decreased energy. Weak strong highest positive max main characteristics non‐solvating antisolvents. Using plot – weakly or antisolvent identified that have been used engineering. This can boost AI/ML develop high performance electrolytes.

Language: Английский

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Prospects for managing end‐of‐life lithium‐ion batteries: Present and future

Interdisciplinary materials, Journal Year: 2022, Volume and Issue: 1(3), P. 417 - 433

Published: June 20, 2022

Abstract The accelerating electrification has sparked an explosion in lithium‐ion batteries (LIBs) consumption. As the lifespan declines, substantial LIBs will flow into recycling market and promise to spawn a giant system. Nonetheless, since lack of unified guiding standard nontraceability, end‐of‐life fallen dilemma low rate, poor efficiency, insignificant benefits. Herein, tapping summarizing analyzing current status challenges LIBs, this outlook provides insights for future course full lifecycle management proposing gradient utilization recycling‐target predesign strategy. Further, we acknowledge some recommendations waste anticipate collaborative effort advance sustainable reliable routes.

Language: Английский

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