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Title: Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography

Abstract

For this, a new model that keeps all major advantages of the single-particle model of lithium-ion batteries (LIBs) and includes three-dimensional structure of the electrode was developed. Unlike the single spherical particle, this model considers a small volume element of an electrode, called the Representative Volume Element (RVE), which represent the real electrode structure. The advantages of using RVE as the model geometry was demonstrated for a typical LIB electrode consisting of nano-particle LiFePO 4 (LFP) active material. The three-dimensional morphology of the LFP electrode was reconstructed using a synchrotron X-ray nano-computed tomography at the Advanced Photon Source of the Argonne National. A 27 μm 3 cube from reconstructed structure was chosen as the RVE for the simulation purposes. The model was employed to predict the voltage curve in a half-cell during galvanostatic operations and validated with experimental data. The simulation results showed that the distribution of lithium inside the electrode microstructure is very different from the results obtained based on the single-particle model. The range of lithium concentration is found to be much greater, successfully illustrates the effect of microstructure heterogeneity.

Authors:
ORCiD logo [1];  [2];  [2];  [1];  [2];  [1];  [1];  [3];  [1]
  1. Univ. of Waterloo, ON (Canada). Dept. of Chemical Engineering, Waterloo Inst. for Nanotechnology and Waterloo Inst. for Sustainable Energy
  2. Univ. of Akron, Akron, OH (United States). Dept. of Mechanical Engineering
  3. Argonne National Lab. (ANL), Lemont, IL (United States). Advanced Photon Source (APS) and TXM
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
USDOE Office of Science (SC); Natural Sciences and Engineering Research Council of Canada (NSERC); Univ. of Akron, Akron, OH (United States); Univ. of Waterloo, ON (Canada)
OSTI Identifier:
1439877
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Applied Electrochemistry
Additional Journal Information:
Journal Volume: 47; Journal Issue: 3; Journal ID: ISSN 0021-891X
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 77 NANOSCIENCE AND NANOTECHNOLOGY; Lithium-ion battery; X-ray computed tomography; Representative volume element; Lithium iron phosphate; Image based model

Citation Formats

Kashkooli, Ali Ghorbani, Amirfazli, Amir, Farhad, Siamak, Lee, Dong Un, Felicelli, Sergio, Park, Hey Woong, Feng, Kun, De Andrade, Vincent, and Chen, Zhongwei. Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography. United States: N. p., 2017. Web. doi:10.1007/s10800-016-1037-y.
Kashkooli, Ali Ghorbani, Amirfazli, Amir, Farhad, Siamak, Lee, Dong Un, Felicelli, Sergio, Park, Hey Woong, Feng, Kun, De Andrade, Vincent, & Chen, Zhongwei. Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography. United States. doi:10.1007/s10800-016-1037-y.
Kashkooli, Ali Ghorbani, Amirfazli, Amir, Farhad, Siamak, Lee, Dong Un, Felicelli, Sergio, Park, Hey Woong, Feng, Kun, De Andrade, Vincent, and Chen, Zhongwei. Sat . "Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography". United States. doi:10.1007/s10800-016-1037-y. https://www.osti.gov/servlets/purl/1439877.
@article{osti_1439877,
title = {Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography},
author = {Kashkooli, Ali Ghorbani and Amirfazli, Amir and Farhad, Siamak and Lee, Dong Un and Felicelli, Sergio and Park, Hey Woong and Feng, Kun and De Andrade, Vincent and Chen, Zhongwei},
abstractNote = {For this, a new model that keeps all major advantages of the single-particle model of lithium-ion batteries (LIBs) and includes three-dimensional structure of the electrode was developed. Unlike the single spherical particle, this model considers a small volume element of an electrode, called the Representative Volume Element (RVE), which represent the real electrode structure. The advantages of using RVE as the model geometry was demonstrated for a typical LIB electrode consisting of nano-particle LiFePO4 (LFP) active material. The three-dimensional morphology of the LFP electrode was reconstructed using a synchrotron X-ray nano-computed tomography at the Advanced Photon Source of the Argonne National. A 27 μm3 cube from reconstructed structure was chosen as the RVE for the simulation purposes. The model was employed to predict the voltage curve in a half-cell during galvanostatic operations and validated with experimental data. The simulation results showed that the distribution of lithium inside the electrode microstructure is very different from the results obtained based on the single-particle model. The range of lithium concentration is found to be much greater, successfully illustrates the effect of microstructure heterogeneity.},
doi = {10.1007/s10800-016-1037-y},
journal = {Journal of Applied Electrochemistry},
number = 3,
volume = 47,
place = {United States},
year = {Sat Jan 28 00:00:00 EST 2017},
month = {Sat Jan 28 00:00:00 EST 2017}
}

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Works referenced in this record:

Nanomaterials for Rechargeable Lithium Batteries
journal, April 2008

  • Bruce, Peter G.; Scrosati, Bruno; Tarascon, Jean-Marie
  • Angewandte Chemie International Edition, Vol. 47, Issue 16, p. 2930-2946
  • DOI: 10.1002/anie.200702505