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Virtual design of thick electrodes for Li-ion batteries

Danner, Timo and Hein, Simon and Westhoff, Daniel and Prifling, Benedikt and Schmidt, Volker and Latz, Arnulf (2018) Virtual design of thick electrodes for Li-ion batteries. Materials Science and Engineering 2018 (MSE), 26. - 28. September 2018, Darmstadt.

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Li-ion batteries are commonly used in portable electronic devices due to their outstanding energy and power density. However, in order to reach the requirements of the automotive industry for nextgeneration electric vehicles regarding safety, life-time, energy density, and rate capability further developments are inevitable. Additionally, a reduction of material and production costs is needed to improve the competitiveness of electric vehicles. Recently, novel attractive battery concepts based on thick electrodes were suggested in the literature [Hopkins; Delattre; Singh]. These concepts provide a high theoretical capacity with only a few electrode layers which additionally has the potential to reduce production time and cost. However, increasing the active material loading can cause transport limitations of the shuttling lithium ions which also reduce the rate capability and practical capacity of the cell [Singh; Danner]. In this contribution we will present a methodology for the virtual design of electrodes for Li-ion batteries based on 3D stochastic microstructure generators [Westhoff] and 3D microstructure-resolved electrochemical simulations within the thermodynamically consistent simulation framework BEST [Latz]. It is shown that this simulation-based approach can be a powerful and efficient tool for the analysis and design of porous electrodes for Li-ion batteries [Hein]. State-of-the-art NMC positive electrodes with different thickness and density were prepared and characterized electrochemically in collaboration with our partners [Tran]. In a next step reconstructions of the electrodes were created with the help of synchrotron tomography and a 3D stochastic microstructure generator [Westhoff; Hein]. The resulting microstructures are then input to microstructure-resolved electrochemical simulations and good qualitative agreement between the simulations and experimental data can be reported. Based on these results different design concepts such as laser perforation and/or porosity gradients were evaluated regarding their performance improvements at high C-rates. For this purpose multiple realizations of virtual electrode microstructures were generated and characterized using the simulation framework described above. This virtual screening of different configurations provides material-structure-function relationships which are a helpful tool for the development of improved functional materials and electrochemical devices

Item URL in elib:https://elib.dlr.de/124647/
Document Type:Conference or Workshop Item (Speech)
Title:Virtual design of thick electrodes for Li-ion batteries
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Danner, Timotimo.danner (at) dlr.dehttps://orcid.org/0000-0003-2336-6059
Hein, SimonSimon.Hein (at) dlr.dehttps://orcid.org/0000-0002-6728-9983
Westhoff, DanielUniversity of UlmUNSPECIFIED
Prifling, BenediktUniversity of UlmUNSPECIFIED
Schmidt, VolkerUniversity of UlmUNSPECIFIED
Latz, Arnulfarnulf.latz (at) dlr.deUNSPECIFIED
Date:September 2018
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In ISI Web of Science:No
Keywords:Li-Ion Battery, simulation, modeling, microstructure resolved
Event Title:Materials Science and Engineering 2018 (MSE)
Event Location:Darmstadt
Event Type:international Conference
Event Dates:26. - 28. September 2018
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Transport
HGF - Program Themes:Transport System
DLR - Research area:Transport
DLR - Program:V VS - Verkehrssystem
DLR - Research theme (Project):V - Energie und Verkehr
Location: Stuttgart
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Danner, Timo
Deposited On:18 Dec 2018 15:24
Last Modified:31 Jul 2019 20:22

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