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Title: Morphological and Electrochemical Characterization of Nanostructured Li 4Ti 5O 12 Electrodes Using Multiple Imaging Mode Synchrotron X-ray Computed Tomography

In this study, synchrotron X-ray computed tomography has been utilized using two different imaging modes, absorption and Zernike phase contrast, to reconstruct the real three-dimensional (3D) morphology of nanostructured Li 4Ti 5O 12 (LTO) electrodes. The morphology of the high atomic number active material has been obtained using the absorption contrast mode, whereas the percolated solid network composed of active material and carbon-doped polymer binder domain (CBD) has been obtained using the Zernike phase contrast mode. The 3D absorption contrast image revealed that some LTO nano-particles tend to agglomerate and form secondary micro-sized particles with varying degrees of sphericity. The tortuosity of electrode’s pore and solid phases were found to have directional dependence, different from Bruggeman’s tortuosity commonly used in macro-homogeneous models. The electrode’s heterogeneous structure was investigated by developing a numerical model to simulate galvanostatic discharge process using the Zernike phase contrast mode. The inclusion of CBD in the Zernike phase contrast results in an integrated percolated network of active material and CBD that is highly suited for continuum modeling. As a result, the simulation results highlight the importance of using the real 3D geometry since the spatial distribution of physical and electrochemical properties have a strong non-uniformity duemore » to microstructural heterogeneities.« less
Authors:
ORCiD logo [1] ;  [2] ;  [2] ;  [1] ; ORCiD logo [1] ;  [1] ;  [3] ;  [1]
  1. Univ. of Waterloo, Waterloo, ON (Canada)
  2. Univ. of Akron, Akron, OH (United States)
  3. Argonne National Lab. (ANL), Lemont, IL (United States)
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Accepted Manuscript
Journal Name:
Journal of the Electrochemical Society
Additional Journal Information:
Journal Volume: 164; Journal Issue: 12; Journal ID: ISSN 0013-4651
Publisher:
The Electrochemical Society
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
University of Akron; Natural Sciences and Engineering Research Council of Canada (NSERC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Image based modeling; Lithium-ion battery; Synchrotron X-ray computed tomography; Tortuosity; Lithium titanate oxide
OSTI Identifier:
1402041

Kashkooli, Ali Ghorbani, Foreman, Evan, Farhad, Siamak, Lee, Dong Un, Feng, Kun, Lui, Gregory, De Andrade, Vincent, and Chen, Zhongwei. Morphological and Electrochemical Characterization of Nanostructured Li4Ti5O12 Electrodes Using Multiple Imaging Mode Synchrotron X-ray Computed Tomography. United States: N. p., Web. doi:10.1149/2.0101713jes.
Kashkooli, Ali Ghorbani, Foreman, Evan, Farhad, Siamak, Lee, Dong Un, Feng, Kun, Lui, Gregory, De Andrade, Vincent, & Chen, Zhongwei. Morphological and Electrochemical Characterization of Nanostructured Li4Ti5O12 Electrodes Using Multiple Imaging Mode Synchrotron X-ray Computed Tomography. United States. doi:10.1149/2.0101713jes.
Kashkooli, Ali Ghorbani, Foreman, Evan, Farhad, Siamak, Lee, Dong Un, Feng, Kun, Lui, Gregory, De Andrade, Vincent, and Chen, Zhongwei. 2017. "Morphological and Electrochemical Characterization of Nanostructured Li4Ti5O12 Electrodes Using Multiple Imaging Mode Synchrotron X-ray Computed Tomography". United States. doi:10.1149/2.0101713jes. https://www.osti.gov/servlets/purl/1402041.
@article{osti_1402041,
title = {Morphological and Electrochemical Characterization of Nanostructured Li4Ti5O12 Electrodes Using Multiple Imaging Mode Synchrotron X-ray Computed Tomography},
author = {Kashkooli, Ali Ghorbani and Foreman, Evan and Farhad, Siamak and Lee, Dong Un and Feng, Kun and Lui, Gregory and De Andrade, Vincent and Chen, Zhongwei},
abstractNote = {In this study, synchrotron X-ray computed tomography has been utilized using two different imaging modes, absorption and Zernike phase contrast, to reconstruct the real three-dimensional (3D) morphology of nanostructured Li4Ti5O12 (LTO) electrodes. The morphology of the high atomic number active material has been obtained using the absorption contrast mode, whereas the percolated solid network composed of active material and carbon-doped polymer binder domain (CBD) has been obtained using the Zernike phase contrast mode. The 3D absorption contrast image revealed that some LTO nano-particles tend to agglomerate and form secondary micro-sized particles with varying degrees of sphericity. The tortuosity of electrode’s pore and solid phases were found to have directional dependence, different from Bruggeman’s tortuosity commonly used in macro-homogeneous models. The electrode’s heterogeneous structure was investigated by developing a numerical model to simulate galvanostatic discharge process using the Zernike phase contrast mode. The inclusion of CBD in the Zernike phase contrast results in an integrated percolated network of active material and CBD that is highly suited for continuum modeling. As a result, the simulation results highlight the importance of using the real 3D geometry since the spatial distribution of physical and electrochemical properties have a strong non-uniformity due to microstructural heterogeneities.},
doi = {10.1149/2.0101713jes},
journal = {Journal of the Electrochemical Society},
number = 12,
volume = 164,
place = {United States},
year = {2017},
month = {9}
}