Lithium ion battery electrodes predicted from manufacturing simulations: Assessing the impact of the carbon-binder spatial location on the electrochemical performance

Chouchane, Mehdi; Rucci, A.; Lombardo, Teo; Ngandjong, Alain C.; Franco, Alejandro A.

doi:10.1016/j.jpowsour.2019.227285

Cited by 113 publications

(127 citation statements)

References 32 publications

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“…Finally, an optimal combined design is a very versatile tool to identify limiting factors and optimal settings for any mixture, be it a polymer blend, electrolyte formulation or material synthesis. It may also be used in conjunction with multi-scale simulations to obtain smaller, statistically comparable datasets [21,[31][32][33].…”

Section: Resultsmentioning

confidence: 99%

Designs of Experiments for Beginners—A Quick Start Guide for Application to Electrode Formulation

et al. 2019

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In this paper, we will describe in detail the setting up of a Design of Experiments (DoE) applied to the formulation of electrodes for Li-ion batteries. We will show that, with software guidance, Designs of Experiments are simple yet extremely useful statistical tools to set up and embrace. An Optimal Combined Design was used to identify influential factors and pinpoint the optimal formulation, according to the projected use. Our methodology follows an eight-step workflow adapted from the literature. Once the study objectives are clearly identified, it is necessary to consider the time, cost, and complexity of an experiment before choosing the responses that best describe the system, as well as the factors to vary. By strategically selecting the mixtures to be characterized, it is possible to minimize the number of experiments, and obtain a statistically relevant empirical equation which links responses and design factors.

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Section: Resultsmentioning

confidence: 99%

Designs of Experiments for Beginners—A Quick Start Guide for Application to Electrode Formulation

et al. 2019

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“…The latter model, already reported by us, [54–57] is supported on a Coarse Grained Molecular Dynamics (CGMD) approach simulating LIB electrode slurries and the resulting electrode mesostructures upon the slurry solvent evaporation. By using CGMD, we have calculated several electrode mesostructures resulting from several formulations quantified by the weight ratio between LiNi 1/3 Mn 1/3 Co 1/3 O 2 active material particles and carbon‐binder, and the LiNi 1/3 Mn 1/3 Co 1/3 O 2 particles size distribution [54–56] . Figure 11 shows the example of a LIB composite positive electrode of 50×50×50 μm 3 of volume, where large particles represent the LiNi 1/3 Mn 1/3 Co 1/3 O 2 active material and small particles represent the CBDs.…”

Section: Battery Virtual Reality Serious Gamesmentioning

confidence: 85%

“…The spatial organization of these materials in a composite electrode determine its practical properties: for instance, the surface area of contact between pores and active material determine the power density of the composite electrode. Indeed, as parts of active material covered by CBD will remain electrochemically less active towards Li insertion or de‐insertion, despite CBD may contain some microporosity, the path for Li + to move through can be significantly tortuous [56,58] . Other practical properties of LIBs will be affected by such interfaces, such as the cell durability and the safety [59] …”

Section: Battery Virtual Reality Serious Gamesmentioning

confidence: 99%

“…The representation of the evolution of the cathode mesostructures in the game follows a similar strategy as in The Great Li–Air Escapade VR : lookup tables are built based on calculations carried out by using simplified versions of models previously reported by us [56,64, 67] . In the LSB case, the (carbon‐based) cathode evolution representation is more complex (Figure 21).…”

Section: Battery Virtual Reality Serious Gamesmentioning

confidence: 99%

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Entering the Augmented Era: Immersive and Interactive Virtual Reality for Battery Education and Research**

Franco

Chotard

Loup-Escande

et al. 2020

Batteries & Supercaps

Self Cite

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We present a series of innovative serious games we develop since four years using Virtual Reality (VR) technology to teach battery concepts at the University (from undergraduate to doctorate levels) and also to the general public in the context of science festivals and other events. These serious games allow interacting with battery materials, electrodes and cells in an immersive way. They allow experiencing impossible situations in real life, such as building with hands battery active material crystal structures at the nanometer scale, flying inside battery composite electrodes to calculate their geometrical tortuosities at the micrometer scale, experiencing the electrochemical behavior of different battery types by driving an electric vehicle and interacting with a virtual smart electrical grid impacted by 3D‐printed devices operated from the real world. Such serious games embed mathematical models with different levels of complexity representing the physical processes at different scales. We describe the technical characteristics of our VR serious games and their teaching goals, and we provide some discussion about their impact on the motivation, engagement and learning following four years of experimentation with them. Finally, we discuss why our VR serious games have also the potential to pave the way towards an augmented era in the battery field by supporting the R&D activities carried out by scientists and engineers.

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“…In the past decade, 3D mesoscale imaging techniques such as x-ray computed tomography (XCT) [23][24][25][26][27][28][29][30][31][32][33][34][35][36] and 3D mesoscale simulation capabilities [26,[37][38][39][40][41][42][43][44][45][46][47][48][49] along with more robust computational resources have advanced such that the idea of experimental image-based mesoscale simulations is now possible [8,45,[50][51][52][53][54][55][56][57][58]. This is of particular importance, because it has been shown that heterogeneity in the mesostructure can have a significant influence on cell performance and degradation [17,[59][60][61][62].…”

Section: Introductionmentioning

confidence: 99%

Electrode Mesoscale as a Collection of Particles: Coupled Electrochemical and Mechanical Analysis of NMC

Ferraro¹,

Trembacki²,

Brunini³

et al. 2019

Preprint

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Battery electrodes are composed of polydisperse particles and a porous, composite binder domain. These materials are arranged into a complex mesostructure whose morphology impacts both electrochemical performance and mechanical response. We present image-based, particle-resolved, mesoscale finite element model simulations of coupled electrochemical-mechanical performance on a representative NMC electrode domain. Beyond predicting macroscale quantities such as half-cell voltage and evolving electrical conductivity, studying behaviors on a per-particle and per-surface basis enables performance and material design insights previously unachievable. Voltage losses are primarily attributable to a complex interplay between interfacial charge transfer kinetics, lithium diffusion, and, locally, electrical conductivity. Mesoscale heterogeneities arise from particle polydispersity and lead to material underutilization at high current densities. Particle-particle contacts, however, reduce heterogeneities by enabling lithium diffusion between connected particle groups. While the porous composite binder domain (CBD) may have slower ionic transport and less available area for electrochemical reactions, its high electrical conductivity makes it the preferred reaction site late in electrode discharge. Mesoscale results are favorably compared to both experimental data and macrohomogeneous models. This work enables improvements in materials design by providing a tool for optimization of particle sizes, CBD morphology, and manufacturing conditions.

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Lithium ion battery electrodes predicted from manufacturing simulations: Assessing the impact of the carbon-binder spatial location on the electrochemical performance

Cited by 113 publications

References 32 publications

Designs of Experiments for Beginners—A Quick Start Guide for Application to Electrode Formulation

Designs of Experiments for Beginners—A Quick Start Guide for Application to Electrode Formulation

Entering the Augmented Era: Immersive and Interactive Virtual Reality for Battery Education and Research**

Electrode Mesoscale as a Collection of Particles: Coupled Electrochemical and Mechanical Analysis of NMC

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