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  • 1
    Online Resource
    Online Resource
    The Electrochemical Society ; 2014
    In:  ECS Transactions Vol. 62, No. 1 ( 2014-11-17), p. 137-149
    In: ECS Transactions, The Electrochemical Society, Vol. 62, No. 1 ( 2014-11-17), p. 137-149
    Abstract: Metal-air batteries are being investigated as alternative to state-of-the-art lithium-ion batteries for mobile and stationary applications due to their higher specific energy and potentially lower cost. Modeling and simulation techniques allow a better understanding and improvement of the complex mechanisms and properties of metal-air batteries. We present simulation results of a lithium-air (Li/O 2 ) battery with aqueous alkaline (LiOH) electrolyte using three different methodologies, (i) Lattice-Boltzmann modeling on the porous electrode scale, (ii) multi-physics continuum modeling on the single-cell scale and (iii) system simulation of a Li/O 2 -battery-powered electric vehicle. Different cell designs (porous separator, stirred separator, and redox-flow design) are investigated in order to quantitatively assess their performance. Virtual aqueous lithium-air batteries yielded high specific energy (up to 755 Wh/kg), but considerably uncompetitive specific power, which prohibit the use in battery electric vehicles at the present stage of development.
    Type of Medium: Online Resource
    ISSN: 1938-5862 , 1938-6737
    Language: Unknown
    Publisher: The Electrochemical Society
    Publication Date: 2014
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  • 2
    In: Journal of The Electrochemical Society, The Electrochemical Society, Vol. 167, No. 1 ( 2020-01-01), p. 013546-
    Abstract: Most cathode materials for lithium-ion batteries exhibit a low electronic conductivity. Hence, a significant amount of conductive graphitic additives are introduced during electrode production. The mechanical stability and electronic connection of the electrode is enhanced by a mixed phase formed by the carbon and binder materials. However, this mixed phase, the carbon binder domain (CBD), hinders the transport of lithium ions through the electrolyte pore network. Thus, reducing the performance at higher currents. In this work we combine microstructure resolved simulations with impedance measurements on symmetrical cells to identify the influence of the CBD distribution. Microstructures of NMC622 electrodes are obtained through synchrotron X-ray tomography. Resolving the CBD using tomography techniques is challenging. Therefore, three different CBD distributions are incorporated via a structure generator. We present results of microstructure resolved impedance spectroscopy and lithiation simulations, which reproduce the experimental results of impedance spectroscopy and galvanostatic lithiation measurements, thus, providing a link between the spatial CBD distribution, electrode impedance, and half-cell performance. The results demonstrate the significance of the CBD distribution and enable predictive simulations for battery design. The accumulation of CBD at contact points between particles is identified as the most likely configuration in the electrodes under consideration.
    Type of Medium: Online Resource
    ISSN: 0013-4651 , 1945-7111
    RVK:
    Language: Unknown
    Publisher: The Electrochemical Society
    Publication Date: 2020
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  • 3
    Online Resource
    Online Resource
    The Electrochemical Society ; 1983
    In:  Journal of The Electrochemical Society Vol. 130, No. 4 ( 1983-04-01), p. 905-907
    In: Journal of The Electrochemical Society, The Electrochemical Society, Vol. 130, No. 4 ( 1983-04-01), p. 905-907
    Type of Medium: Online Resource
    ISSN: 0013-4651 , 1945-7111
    RVK:
    Language: Unknown
    Publisher: The Electrochemical Society
    Publication Date: 1983
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  • 4
    Online Resource
    Online Resource
    The Electrochemical Society ; 2014
    In:  ECS Meeting Abstracts Vol. MA2014-04, No. 3 ( 2014-06-10), p. 543-543
    In: ECS Meeting Abstracts, The Electrochemical Society, Vol. MA2014-04, No. 3 ( 2014-06-10), p. 543-543
    Abstract: Metal-air batteries are being investigated as alternative to state-of-the-art lithium-ion batteries for mobile and stationary applications due to their higher specific energy and potentially lower cost. Modeling and simulation techniques allow a better understanding and improvement of the complex mechanisms and properties of metal-air batteries. Here we present combined modeling and experimental results on a lithium-air (Li/O 2 ) battery with aqueous alkaline (LiOH) electrolyte using three different modeling methodologies, (i) Lattice-Boltzmann simulations on the porous electrode scale, (ii) multi-physics continuum modeling on the single-cell scale and (iii) system simulation of a Li/O 2 -operated electric vehicle. Lattice-Boltzmann simulations on experimentally reconstructed Ag-based gas diffusion electrodes (GDE) are performed in order to derive multi-phase transport parameters, in particular, saturation/pressure relationships and effective diffusion coefficients. The computational domain of the 1D continuum model consists of the gas-diffusion electrode as cathode, a porous separator, and a lithium metal anode. The model includes a detailed description of the multi-step electrochemistry including dissolution of O 2 into the liquid electrolyte, oxygen reduction to hydroxyl ions, and nucleation and growth of the solid reaction product LiOH [1]. The model is validated with experimental half-cell measurements over a wide range of conditions. The multi-physics model is integrated into a system simulation of a battery electric vehicle, including electric engine and regenerative braking. The model is used to simulate driving cycles (Fig. 1), which allow to quantify practical energy and power densities and to investigate the potential of lithium-air technology as next-generation battery for electromobility. As key result, the alkaline lithium-air battery offers the interesting capability of high-power cycling using only liquid-phase dissolved intermediates (O 2 + 4e – + 2 H 2 O ⇄ 4 OH – ) coupled to high-energy content due to solid product formation (Li + + OH – + H 2 O ⇄ LiOH·H 2 O). This dual functionality can be exploited for the driving cycle using model-based cell design. [1] B. Horstmann, T. Danner, and W. G. Bessler, “Precipitation in aqueous lithium-oxygen batteries: a model-based analysis,” Energy & Environmental Science 6 , 1299–1314 (2013).
    Type of Medium: Online Resource
    ISSN: 2151-2043
    Language: Unknown
    Publisher: The Electrochemical Society
    Publication Date: 2014
    detail.hit.zdb_id: 2438749-6
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  • 5
    Online Resource
    Online Resource
    The Electrochemical Society ; 2017
    In:  ECS Meeting Abstracts Vol. MA2017-02, No. 4 ( 2017-09-01), p. 397-397
    In: ECS Meeting Abstracts, The Electrochemical Society, Vol. MA2017-02, No. 4 ( 2017-09-01), p. 397-397
    Abstract: Li-Ion batteries are commonly used in portable electronic devices due to their outstanding energy and power density. A remaining issue which hinders the breakthrough e.g. in the automotive sector is the high production cost. Going ‘giga’ is one approach currently pursued but requires large investments. Recently, battery concepts with thick electrodes were presented as attractive alternative 1 . Batteries with thicker electrodes provide higher theoretical energy densities with only a few electrode layers which reduces production time and cost 2 . In our contribution we present 3D micro-structure resolved simulations of thick (electrodes 〉 300µm) Graphite-NMC batteries based on our thermodynamically consistent simulation framework BEST 3 . The parametrization and validation of our model is presented in a recent publication 4 and simulation results agree favourably with experimental data 2 . As a major problem we identified transport limitations in the electrolyte at comparatively small C-rates 2,4 . Novel design and operation strategies of the battery and its components are needed to mitigate this issue. In this presentation we will focus on our on-going electrode design studies. Two different design concepts using laser perforation and/or porosity gradients were evaluated regarding their performance at high C-rates. Therefore, multiple realizations of electrode structures were generated with a stochastic 3D geometry generator 5 . The structures and corresponding electrochemical simulations were validated against tomography and experimental data of model electrodes. The virtual screening of different configurations provides material-structure-function relationships which are a helpful tool for the processing of thick electrodes on larger scales. 1. Hopkins, B. J. et al, Component-cost and performance based comparison of flow and static batteries. J. Power Sources 293, 1032–1038 (2015). 2. Singh, M. et al, Thick Electrodes for High Energy Lithium Ion Batteries. J. Electrochem. Soc. 162, A1196–A1201 (2015). 3. Latz, A. et al, Multiscale modeling of lithium ion batteries: thermal aspects. Beilstein J. Nanotechnol. 6, 987–1007 (2015). 4. Danner, T. et al. Thick electrodes for Li-ion batteries: A model based analysis. J. Power Sources 334, 191–201 (2016). 5. Westhoff, D. et al. Parametric stochastic 3D model for the microstructure of anodes in lithium-ion power cells. Comput. Mater. Sci. 126, 453–467 (2017). Figure 1
    Type of Medium: Online Resource
    ISSN: 2151-2043
    Language: Unknown
    Publisher: The Electrochemical Society
    Publication Date: 2017
    detail.hit.zdb_id: 2438749-6
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  • 6
    In: ECS Meeting Abstracts, The Electrochemical Society, Vol. MA2019-02, No. 5 ( 2019-09-01), p. 330-330
    Abstract: For future Lithium-ion battery applications such as electric vehicles, the battery manufacturing costs and their energy density are key limiting factors that have to be improved, in order to open this technology for a broader market. To address both challenges at once, one promising strategy is to increase the mass loading of state of the art electrodes to extreme values, thus, yielding ultra-thick electrodes. This approach allows to reduce the amount of passive materials in the cell stack in favor of more active material. [1,2] However, an increase in electrode film thickness is usually associated with a variety of drawbacks such as lower rate capability and higher mechanical stress during drying and processing. [3,4] In this contribution, different concepts to overcome these drawbacks are presented and compared. Ultra-thick NMC 622 cathodes with a mass loading of 50 mg/cm 2 (≈ 8 mAh/cm 2 ) were prepared and the influence of different manufacturing processing steps (mixing, drying and calendaring) on the electrochemical properties of these electrodes was investigated. Furthermore, the electrode architecture was optimized by pursuing different structuring strategies, in order to improve the Lithium-ion transport. Firstly, the introduction of electrolyte channels by pore-forming agents and electrode perforation is evaluated. Secondly, a multilayer design is explored [5] , whereby local porosity and active material particle sizes can be controlled specifically. Finally, the electrolyte concentration was shown to have a significant influence on the electrochemical performance of ultra-thick electrodes and advantageous structures are identified by 3D microstructure resolved simulations based on stochastic structure models, which were calibrated to tomographic image data. [6–8] By application of combined processing and structuring measures, the specific discharge capacity of ultra-thick cathodes at 8 mA/cm 2 (≈ 1C) was enhanced by more than 60%. Acknowledgement: The presented work was financially supported by BMBF within projects HighEnergy and PRODUKT under the reference numbers 03XP0073 and 03XP0028. References: [1] H. Abe, M. Kubota, M. Nemoto, Y. Masuda, Y. Tanaka, H. Munakata, K. Kanamura, J. Power Sources 2016 , 334 , 78–85. [2] H. Zheng, J. Li, X. Song, G. Liu, V. S. Battaglia, Electrochimica Acta 2012 , 71 , 258–265. [3] M. Singh, J. Kaiser, H. Hahn, J. Electrochem. Soc. 2015 , 162 , A1196–A1201. [4] L. Ibing, T. Gallasch, P. Schneider, P. Niehoff, A. Hintennach, M. Winter, F. M. Schappacher, J. Power Sources 2019 , 423 , 183–191. [5] D. Westhoff, T. Danner, S. Hein, R. Scurtu, L. Kremer, A. Hoffmann, A. Hilger, I. Manke, M. Wohlfahrt-Mehrens, A. Latz, et al., Mater. Charact. 2019 , 151 , 166–174. [6] T. Danner, M. Singh, S. Hein, J. Kaiser, H. Hahn, A. Latz, J. Power Sources 2016 , 334 , 191–201. [7] D. Westhoff, J. Feinauer, K. Kuchler, T. Mitsch, I. Manke, S. Hein, A. Latz, V. Schmidt, Comput. Mater. Sci. 2017 , 126 , 453–467. [8] D. Westhoff, I. Manke, V. Schmidt, Comput. Mater. Sci. 2018 , 151 , 53–64. Figure 1
    Type of Medium: Online Resource
    ISSN: 2151-2043
    Language: Unknown
    Publisher: The Electrochemical Society
    Publication Date: 2019
    detail.hit.zdb_id: 2438749-6
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