Multiscale modeling of lithium-ion battery electrodes based on nano-scale X-ray computed tomography

Kashkooli, Ali Ghorbani; Farhad, Siamak; Lee, Dong Un; Feng, Kun; Litster, Shawn; Babu, Siddharth Komini; Zhu, Likun; Chen, Zhongwei

doi:10.1016/j.jpowsour.2015.12.134

Cited by 98 publications

(87 citation statements)

References 50 publications

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“…(19), where Jeff is the effective diffusion flux, c is the molar concentration, ̇ is the effective heat flux, λ bulk is the bulk thermal conductivity. 84,102,146,147 By rearranging the temperature gradient, the heat flux and thus, the tortuosity can be calculated along each axis of a sample. Cooper et al 62 scanned a commercially available LiFePO4 battery cathode using X-ray synchrotron nano CT and investigated the tortuosity of the pore phase using heat flux simulation.…”

Section: Mesh Based Calculation Methodsmentioning

confidence: 99%

Tortuosity in electrochemical devices: a review of calculation approaches

Tjaden

Brett

Shearing

2016

International Materials Reviews

200

188

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The tortuosity of a structure plays a vital role in the transport of mass and charge in electrochemical devices. Concentration polarisation losses at high current densities are caused by mass transport limitations and are thus a function of microstructural characteristics. As tortuosity is notoriously difficult to ascertain, a wide and diverse range of methods has been developed to extract the tortuosity of a structure. These methods differ significantly in terms of calculation approach and data preparation techniques. Here, we review tortuosity calculation procedures applied in the field of electrochemical devices to better understand the resulting values presented in the literature. Visible differences between calculation methods are observed, especially when using porosity-tortuosity relationships and when comparing geometric and flux based tortuosity calculation approaches.

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Section: Mesh Based Calculation Methodsmentioning

confidence: 99%

Tortuosity in electrochemical devices: a review of calculation approaches

Tjaden

Brett

Shearing

2016

International Materials Reviews

200

188

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“…In recent years, battery research groups developed a similar focus as multiple studies connected performance degradation to changes in electrode microstructure, including particle fracture, transition metal distribution, surface reconstruction, and elemental dissolution 11–14. Simultaneously, significant advances in simulation technology made it possible to model the performance of electrochemical devices, provided an accurate representation of the microstructure and thermodynamic/kinetic processes are available 15–17. The use of 3D imaging techniques (e.g., focused ion beam (FIB) tomography and X‐ray computed tomography (CT)) now plays a key role supporting the study of electrode microstructures 18–23.…”

Section: Introductionmentioning

confidence: 99%

The Effects of Constriction Factor and Geometric Tortuosity on Li‐Ion Transport in Porous Solid‐State Li‐Ion Electrolytes

Hamann

Zhang

Gong

et al. 2020

Adv Funct Materials

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3D focused ion beam tomography is used to analyze the microstructures of Li‐ion conducting Li6.75La2.75Ca0.25Zr1.5Nb0.5O12 (LLCZN) garnet porous electrolytes with different levels of porosity and the theoretical effective bulk conductivities of the electrolyte are calculated based on LLCZN volume fraction, constriction factor, geometric tortuosity, and percolation factor. The experimentally measured effective bulk conductivities are consistently lower than the theoretical values when assuming constant bulk conductivity, suggesting the bulk conductivity of the LLCZN decreased with increasing porosity. This work highlights the importance of understanding the full effects of altering the microstructure of solid‐state electrolytes, as this will play a key role in advancing Li‐ion battery technology to higher energy and power densities.

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“…FIB-SEM is destructive but has the ability to provide 3D imaging at higher spatial resolution than XRCT. Intensive work is now undertaken to use reconstructed 3D geometries for smarter electrochemical modeling than the state-of-the-art modeling based on idealized microstructures, [36][37][38][39] but still with very little or even no confrontation to measured electrochemical performance. [31,32] XRCT and FIB-SEM thus enable to extensively analyze a number of geometric parameters (volume fraction, surface area, particle size distribution, tortuosity…), which is of great potential to rationally design and optimize the formulation and the processing of composite electrodes.…”

mentioning

confidence: 99%

Multiscale Morphological and Electrical Characterization of Charge Transport Limitations to the Power Performance of Positive Electrode Blends for Lithium‐Ion Batteries

Besnard

Etiemble

Douillard

et al. 2016

Advanced Energy Materials

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In this work, exhaustive characterizations of 3D geometries of LiNi1/3Mn1/3Co1/3O2 (NMC), LiFePO4 (LFP), and NMC/LFP blended electrodes are undertaken for rational interpretation of their measured electrical properties and electrochemical performance. X‐ray tomography and focused ion beam in combination with scanning electron microscopy tomography are used for a multiscale analysis of electrodes 3D geometries. Their multiscale electrical properties are measured by using broadband dielectric spectroscopy. Finally, discharge rate performance are measured and analyzed by simple, yet efficient methods. It allows us to discriminate between electronic and ionic wirings as the performance limiting factors, depending on the discharge rate. This approach is a unique exhaustive analysis of the experimental relationships between the electrochemical behavior, the transport properties within the electrode, and its 3D geometry.

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Multiscale modeling of lithium-ion battery electrodes based on nano-scale X-ray computed tomography

Cited by 98 publications

References 50 publications

Tortuosity in electrochemical devices: a review of calculation approaches

Tortuosity in electrochemical devices: a review of calculation approaches

The Effects of Constriction Factor and Geometric Tortuosity on Li‐Ion Transport in Porous Solid‐State Li‐Ion Electrolytes

Multiscale Morphological and Electrical Characterization of Charge Transport Limitations to the Power Performance of Positive Electrode Blends for Lithium‐Ion Batteries

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