Coupling of multiscale imaging analysis and computational modeling for understanding thick cathode degradation mechanisms

Article Chemistry, Physical

Artificial cathode electrolyte interphase for improving high voltage cycling stability of thick electrode with Co-free 5 V spinel oxides

Weikang Li et al.

Summary: By introducing a stable Al2O3 surface layer via atomic layer deposition, the capacity retention and Coulombic efficiency of LNMO cathode are improved in long cycling, forming a stable interphase to protect the cathode material.

ENERGY STORAGE MATERIALS (2022)

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Article Chemistry, Physical

Revealing the Role of Fluoride-Rich Battery Electrode Interphases by Operando Transmission Electron Microscopy

Chen Gong et al.

Summary: The study investigates the nanoscale structural evolution of lithium electrodeposition and dissolution at the electrode surface across fluoride-poor and fluoride-rich interphases, showing that a fluoride-rich SEI can suppress lithium detachment and isolation, reduce dead Li formation, and prevent electrolyte decomposition, ultimately improving lithium cycling efficiency.

ADVANCED ENERGY MATERIALS (2021)

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Article Chemistry, Physical

Carbon-Binder Migration: A Three-Dimensional Drying Model for Lithium-ion Battery Electrodes

Teo Lombardo et al.

Summary: This study presents a physics-based three-dimensional model that can simulate additive migration during drying, unlocking the generation of three-dimensional heterogeneous electrode mesostructures. The results show that the drying rate affects the final electrode mesostructure, the dynamics of additive migration, and the formation of heterogeneities.

ENERGY STORAGE MATERIALS (2021)

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Article Chemistry, Physical

Hydrolysis of LiPF6-Containing Electrolyte at High Voltage

Mingzhu Liu et al.

Summary: By combining theoretical and experimental approaches, this study identified the direct reaction between water and PF6- as the main source of corrosive HF in Li-ion batteries. This hydrolysis process is accelerated by high voltage, highlighting the need for effective mitigation strategies to stabilize LiPF6-based electrolytes for high voltage LIBs. Clarifying this important electrolyte failure mechanism points to the potential for improved battery performance and longevity.

ACS ENERGY LETTERS (2021)

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Article Energy & Fuels

Ultra-high-voltage Ni-rich layered cathodes in practical Li metal batteries enabled by a sulfonamide-based electrolyte

Weijiang Xue et al.

Summary: The authors have developed a sulfonamide-based electrolyte that allows for stable cycling of LiNi0.8Co0.1Mn0.1O2 in lithium metal batteries at a cutoff voltage of 4.7 V, achieving a specific capacity >230 mA h g(-1) and an average Coulombic efficiency >99.65% over 100 cycles. The 4.7 V lithium-metal battery can retain >88% capacity for 90 cycles even under harsh testing conditions, advancing practical lithium-metal batteries.

NATURE ENERGY (2021)

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Article Chemistry, Multidisciplinary

Heterogeneous Degradation in Thick Nickel-Rich Cathodes During High-Temperature Storage and Mitigation of Thermal Instability by Regulating Cationic Disordering

Lihan Zhang et al.

Summary: The thermal instability in high-energy nickel-rich layered cathode materials is mainly caused by serious top-down heterogeneous degradation along the depth direction of the thick electrode. Nonmagnetic elements doping and surface modification are suggested to effectively mitigate the thermal instability by modulating cationic disordering.

SMALL (2021)

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Article Chemistry, Physical

Insight on electrolyte infiltration of lithium ion battery electrodes by means of a new three-dimensional-resolved lattice Boltzmann model

Abbos Shodiev et al.

Summary: Electrolyte filling is a crucial step in lithium ion battery manufacturing, affecting the quality and subsequent wetting process. A new 3D-LBM model has been developed to simulate the electrolyte filling process in LIB porous electrodes, emphasizing the impact of electrode mesostructures on filling dynamics.

ENERGY STORAGE MATERIALS (2021)

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Article Energy & Fuels

X-ray tomography for lithium ion battery electrode characterisation - A review

James Le Houx et al.

Summary: X-ray tomography has become a powerful analytical tool for studying electrode structures in lithium ion batteries, allowing for characterization at different scales. Research focuses on both cell and microstructure scales to investigate electrode structures.

ENERGY REPORTS (2021)

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Article Electrochemistry

An Invitation to Engage with Computational Modeling: User-Friendly Tool for In Silico Battery Component Generation and Meshing

Mehdi Chouchane et al.

Summary: The lack of user-friendly software accessible for experimentalists hinders the development of battery computational modeling. Time-dependent 3D-resolved computational modeling is considered a more promising approach in the battery field. An application introduced in this Concept allows for importing, generating, and meshing battery components for 3D-resolved electrochemical and transport process simulations, accessible through an internet browser.

BATTERIES & SUPERCAPS (2021)

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Article Chemistry, Physical

Understanding multi-scale battery degradation with a macro-to-nano zoom through its hierarchy

Guibin Zan et al.

Summary: This study investigates the hierarchy of a commercial lithium cell using advanced X-ray microscopy techniques, revealing damage and heterogeneity at different length scales and their association with degradation phenomena. The findings emphasize the importance of the mechanical properties of the cathode material in influencing both immediate and long-term cell behaviors, which could have implications for the development of next-generation energy storage technologies like solid-state batteries.

JOURNAL OF MATERIALS CHEMISTRY A (2021)

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Article Electrochemistry

Heterogeneous Solid-Electrolyte Interphase in Graphite Electrodes Assessed by 4D-Resolved Computational Simulations

Mehdi Chouchane et al.

Summary: Graphite is widely used as an active material in lithium-ion battery negative electrodes due to its high specific capacity and low equilibrium potential. A new computational model provides insights into the heterogeneity of the solid-electrolyte interface (SEI) within porous electrodes, assessing the impact of electrode morphology on SEI formation and its effect on electrochemical performance. This work lays the groundwork for assisting in the interpretation of SEI characterization experiments.

BATTERIES & SUPERCAPS (2021)

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Article Chemistry, Physical

Mesoscale Effects in the Extraction of the Solid-State Lithium Diffusion Coefficient Values of Battery Active Materials: Physical Insights from 3D Modeling

Mehdi Chouchane et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)

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3D microstructure design of lithium-ion battery electrodes assisted by X-ray nano-computed tomography and modelling

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NATURE COMMUNICATIONS (2020)

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Solid-electrolyte interphase nucleation and growth on carbonaceous negative electrodes for Li-ion batteries visualized with in situ atomic force microscopy

Sergey Yu Luchkin et al.

SCIENTIFIC REPORTS (2020)

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Article Chemistry, Physical

Synchrotron Operando Depth Profiling Studies of State-of-Charge Gradients in Thick Li(Ni0.8Mn0.1Co0.1)O2 Cathode Films

Zhuo Li et al.

CHEMISTRY OF MATERIALS (2020)

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Enabling high areal capacity for Co-free high voltage spinel materials in next-generation Li-ion batteries

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JOURNAL OF POWER SOURCES (2020)

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Enabling lithium-free manufacturing of pure lithium metal solid-state batteries through in situ plating

Michael J. Wang et al.

NATURE COMMUNICATIONS (2020)

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Revealing the complex layered-mosaic structure of the cathode electrolyte interphase in Li-ion batteries

Roberto Scipioni et al.

APPLIED MATERIALS TODAY (2020)

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Unveiling the Stable Nature of the Solid Electrolyte Interphase between Lithium Metal and LiPON via Cryogenic Electron Microscopy

Diyi Cheng et al.

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Pathways for practical high-energy long-cycling lithium metal batteries

Jun Liu et al.

NATURE ENERGY (2019)

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Quantification of Heterogeneous Degradation in Li-Ion Batteries

Yang Yang et al.

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A Versatile and Efficient Voxelization-Based Meshing Algorithm of Multiple Phases

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Cryogenic Focused Ion Beam Characterization of Lithium Metal Anodes

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Recent advance in understanding the electro-chemo-mechanical behavior of lithium-ion batteries by electron microscopy

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Analysis of Rate-Limiting Factors in Thick Electrodes for Electric Vehicle Applications

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A carbonate-free, sulfone-based electrolyte for high-voltage Li-ion batteries

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MATERIALS TODAY (2018)

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Visualizing the Carbon Binder Phase of Battery Electrodes in Three Dimensions

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Materials' Methods: NMR in Battery Research

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Narrowing the Gap between Theoretical and Practical Capacities in Li-Ion Layered Oxide Cathode Materials

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ADVANCED ENERGY MATERIALS (2017)

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Modeling Insight into Battery Electrolyte Electrochemical Stability and Interfacial Structure Published as part of the Accounts of Chemical Research special issue Energy Storage: Complexities Among Materials and Interfaces at Multiple Length Scales

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Water-Soluble Sericin Protein Enabling Stable Solid-Electrolyte Interphase for Fast Charging High Voltage Battery Electrode

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Profiling the nanoscale gradient in stoichiometric layered cathode particles for lithium-ion batteries

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Morphological segmentation of FIB-SEM data of highly porous media

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Oxidative Stability and Initial Decomposition Reactions of Carbonate, Sulfone, and Alkyl Phosphate-Based Electrolytes

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Coupling of multiscale imaging analysis and computational modeling for understanding thick cathode degradation mechanisms

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