Morphological and Electrochemical Characterization of Nanostructured Li4Ti5O12 Electrodes Using Multiple Imaging Mode Synchrotron X-ray Computed Tomography
Abstract
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.
- Authors:
-
[1];
[1];
- Univ. of Waterloo, Waterloo, ON (Canada)
- Univ. of Akron, Akron, OH (United States)
- Argonne National Lab. (ANL), Lemont, IL (United States)
- Publication Date:
- 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)
- OSTI Identifier:
- 1402041
- Grant/Contract Number:
- AC02-06CH11357
- Resource 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
- 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
Citation Formats
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., 2017.
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. https://doi.org/10.1149/2.0101713jes
Kashkooli, Ali Ghorbani, Foreman, Evan, Farhad, Siamak, Lee, Dong Un, Feng, Kun, Lui, Gregory, De Andrade, Vincent, and Chen, Zhongwei. Thu .
"Morphological and Electrochemical Characterization of Nanostructured Li4Ti5O12 Electrodes Using Multiple Imaging Mode Synchrotron X-ray Computed Tomography". United States. https://doi.org/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}
}
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Works referenced in this record:
Modeling 3D Microstructure and Ion Transport in Porous Li-Ion Battery Electrodes
journal, January 2011
- Stephenson, David E.; Walker, Bryce C.; Skelton, Cole B.
- Journal of The Electrochemical Society, Vol. 158, Issue 7
Optimizing the Performance of Lithium Titanate Spinel Paired with Activated Carbon or Iron Phosphate
journal, January 2008
- Stewart, Sarah; Albertus, Paul; Srinivasan, Venkat
- Journal of The Electrochemical Society, Vol. 155, Issue 3
Three-dimensional finite element study on stress generation in synchrotron X-ray tomography reconstructed nickel-manganese-cobalt based half cell
journal, December 2016
- Wu, Linmin; Xiao, Xianghui; Wen, Youhai
- Journal of Power Sources, Vol. 336
TomoPy: a framework for the analysis of synchrotron tomographic data
journal, August 2014
- Gürsoy, Dogˇa; De Carlo, Francesco; Xiao, Xianghui
- Journal of Synchrotron Radiation, Vol. 21, Issue 5
The use of mathematical modeling in the design of lithium/polymer battery systems
journal, October 1995
- Doyle, Marc; Newman, John
- Electrochimica Acta, Vol. 40, Issue 13-14
Analysis of Polarization in Realistic Li Ion Battery Electrode Microstructure Using Numerical Simulation
journal, December 2015
- Yan, Bo; Lim, Cheolwoong; Song, Zhibin
- Electrochimica Acta, Vol. 185
On the origin and application of the Bruggeman correlation for analysing transport phenomena in electrochemical systems
journal, May 2016
- Tjaden, Bernhard; Cooper, Samuel J.; Brett, Daniel JL
- Current Opinion in Chemical Engineering, Vol. 12
Particle Size Polydispersity in Li-Ion Batteries
journal, December 2013
- Chung, Ding-Wen; Shearing, Paul R.; Brandon, Nigel P.
- Journal of The Electrochemical Society, Vol. 161, Issue 3
Comparison of Modeling Predictions with Experimental Data from Plastic Lithium Ion Cells
journal, January 1996
- Doyle, Marc
- Journal of The Electrochemical Society, Vol. 143, Issue 6
The Development and Future of Lithium Ion Batteries
journal, December 2016
- Blomgren, George E.
- Journal of The Electrochemical Society, Vol. 164, Issue 1
Synchrotron X-ray nano computed tomography based simulation of stress evolution in LiMn2O4 electrodes
journal, September 2017
- Ghorbani Kashkooli, Ali; Foreman, Evan; Farhad, Siamak
- Electrochimica Acta, Vol. 247
Single-Particle Model for a Lithium-Ion Cell: Thermal Behavior
journal, January 2011
- Guo, Meng; Sikha, Godfrey; White, Ralph E.
- Journal of The Electrochemical Society, Vol. 158, Issue 2
Effects of Diffusive Charge Transfer and Salt Concentration Gradient in Electrolyte on Li-ion Battery Energy and Power Densities
journal, April 2014
- Zarrin, Hadis; Farhad, Siamak; Hamdullahpur, Feridun
- Electrochimica Acta, Vol. 125
Image based modelling of microstructural heterogeneity in LiFePO 4 electrodes for Li-ion batteries
journal, February 2014
- Cooper, S. J.; Eastwood, D. S.; Gelb, J.
- Journal of Power Sources, Vol. 247
Implementing an in-situ carbon network in Si/reduced graphene oxide for high performance lithium-ion battery anodes
journal, January 2016
- Feng, Kun; Ahn, Wook; Lui, Gregory
- Nano Energy, Vol. 19
Controllable formation and electrochemical properties of one-dimensional nanostructured spinel Li4Ti5O12
journal, September 2005
- Li, Junrong; Tang, Zilong; Zhang, Zhongtai
- Electrochemistry Communications, Vol. 7, Issue 9
Direct in situ measurements of Li transport in Li-ion battery negative electrodes
journal, January 2010
- Harris, Stephen J.; Timmons, Adam; Baker, Daniel R.
- Chemical Physics Letters, Vol. 485, Issue 4-6
Three Dimensional Simulation of Galvanostatic Discharge of LiCoO 2 Cathode Based on X-ray Nano-CT Images
journal, January 2012
- Yan, Bo; Lim, Cheolwoong; Yin, Leilei
- Journal of The Electrochemical Society, Vol. 159, Issue 10
Understanding Li-Ion Battery Anode Degradation and Pore Morphological Changes through Nano-Resolution X-ray Computed Tomography
journal, January 2016
- Frisco, Sarah; Kumar, Arjun; Whitacre, Jay F.
- Journal of The Electrochemical Society, Vol. 163, Issue 13
Nano-particle size effect on the performance of Li4Ti5O12 spinel
journal, April 2016
- Kashkooli, Ali Ghorbani; Lui, Gregory; Farhad, Siamak
- Electrochimica Acta, Vol. 196
Three-dimensional reconstruction of a composite cathode for lithium-ion cells
journal, February 2011
- Ender, Moses; Joos, Jochen; Carraro, Thomas
- Electrochemistry Communications, Vol. 13, Issue 2
Berechnung verschiedener physikalischer Konstanten von heterogenen Substanzen. I. Dielektrizitätskonstanten und Leitfähigkeiten der Mischkörper aus isotropen Substanzen
journal, January 1935
- Bruggeman, D. A. G.
- Annalen der Physik, Vol. 416, Issue 7
FIB/SEM-based calculation of tortuosity in a porous LiCoO2 cathode for a Li-ion battery
journal, February 2013
- Hutzenlaub, T.; Asthana, A.; Becker, J.
- Electrochemistry Communications, Vol. 27
4D analysis of the microstructural evolution of Si-based electrodes during lithiation: Time-lapse X-ray imaging and digital volume correlation
journal, July 2016
- Paz-Garcia, J. M.; Taiwo, O. O.; Tudisco, E.
- Journal of Power Sources, Vol. 320
The application of phase contrast X-ray techniques for imaging Li-ion battery electrodes
journal, April 2014
- Eastwood, D. S.; Bradley, R. S.; Tariq, F.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 324
Porous cathode optimization for lithium cells: Ionic and electronic conductivity, capacity, and selection of materials
journal, May 2010
- Chen, Y. -H.; Wang, C. -W.; Zhang, X.
- Journal of Power Sources, Vol. 195, Issue 9
Multiple imaging mode X-ray computed tomography for distinguishing active and inactive phases in lithium-ion battery cathodes
journal, June 2015
- Komini Babu, Siddharth; Mohamed, Alexander I.; Whitacre, Jay F.
- Journal of Power Sources, Vol. 283
Local Tortuosity Inhomogeneities in a Lithium Battery Composite Electrode
journal, January 2011
- Kehrwald, Dirk; Shearing, Paul R.; Brandon, Nigel P.
- Journal of The Electrochemical Society, Vol. 158, Issue 12
General synthesis of carbon-coated nanostructure Li 4 Ti 5 O 12 as a high rate electrode material for Li-ion intercalation
journal, January 2010
- Cheng, Liang; Yan, Jing; Zhu, Guan-Nan
- J. Mater. Chem., Vol. 20, Issue 3
Multiscale modeling of lithium-ion battery electrodes based on nano-scale X-ray computed tomography
journal, March 2016
- Kashkooli, Ali Ghorbani; Farhad, Siamak; Lee, Dong Un
- Journal of Power Sources, Vol. 307
Mechanical and Electrochemical Response of a LiCoO2 Cathode using Reconstructed Microstructures
journal, February 2016
- Mendoza, Hector; Roberts, Scott A.; Brunini, Victor E.
- Electrochimica Acta, Vol. 190
Analysis of geometric and electrochemical characteristics of lithium cobalt oxide electrode with different packing densities
journal, October 2016
- Lim, Cheolwoong; Yan, Bo; Kang, Huixiao
- Journal of Power Sources, Vol. 328
Optimization of Lithium Titanate Electrodes for High-Power Cells
journal, January 2006
- Christensen, John; Srinivasan, Venkat; Newman, John
- Journal of The Electrochemical Society, Vol. 153, Issue 3
Enhanced Imaging of Lithium Ion Battery Electrode Materials
journal, September 2016
- Biton, Moshiel; Yufit, Vladimir; Tariq, Farid
- Journal of The Electrochemical Society, Vol. 164, Issue 1
Nanoscale 3D imaging at the Advanced Photon Source
journal, May 2016
- De Andrade, Vincent; Deriy, Alex; Wojcik, Michael J.
- SPIE Newsroom
Porous-electrode theory with battery applications
journal, January 1975
- Newman, John; Tiedemann, William
- AIChE Journal, Vol. 21, Issue 1
Quantifying tortuosity in porous Li-ion battery materials
journal, March 2009
- Thorat, Indrajeet V.; Stephenson, David E.; Zacharias, Nathan A.
- Journal of Power Sources, Vol. 188, Issue 2
Cycle Life Modeling of Lithium-Ion Batteries
journal, January 2004
- Ning, Gang; Popov, Branko N.
- Journal of The Electrochemical Society, Vol. 151, Issue 10
Nanostructured electrodes for high-power lithium ion batteries
journal, July 2012
- Mukherjee, Rahul; Krishnan, Rahul; Lu, Toh-Ming
- Nano Energy, Vol. 1, Issue 4
Representative volume element model of lithium-ion battery electrodes based on X-ray nano-tomography
journal, January 2017
- Kashkooli, Ali Ghorbani; Amirfazli, Amir; Farhad, Siamak
- Journal of Applied Electrochemistry, Vol. 47, Issue 3
Extended lithium titanate cycling potential window with near zero capacity loss
journal, August 2011
- Ahn, Dongjoon; Xiao, Xingcheng
- Electrochemistry Communications, Vol. 13, Issue 8
Simulation of diffusion-induced stress using reconstructed electrodes particle structures generated by micro/nano-CT
journal, July 2012
- Lim, Cheolwoong; Yan, Bo; Yin, Leilei
- Electrochimica Acta, Vol. 75
Discharge Model for the Lithium Iron-Phosphate Electrode
journal, January 2004
- Srinivasan, Venkat; Newman, John
- Journal of The Electrochemical Society, Vol. 151, Issue 10
The Effect of Microstructure on the Galvanostatic Discharge of Graphite Anode Electrodes in LiCoO[sub 2]-Based Rocking-Chair Rechargeable Batteries
journal, January 2009
- Smith, Madeleine; García, R. Edwin; Horn, Quinn C.
- Journal of The Electrochemical Society, Vol. 156, Issue 11
Works referencing / citing this record:
Progress in 3D electrode microstructure modelling for fuel cells and batteries: transport and electrochemical performance
journal, July 2019
- Zhang, Duo; Bertei, Antonio; Tariq, Farid
- Progress in Energy, Vol. 1, Issue 1
Application of Artificial Intelligence to State-of-Charge and State-of-Health Estimation of Calendar-Aged Lithium-Ion Pouch Cells
journal, January 2019
- Kashkooli, Ali Ghorbani; Fathiannasab, Hamed; Mao, Zhiyu
- Journal of The Electrochemical Society, Vol. 166, Issue 4