Understanding Evolution of Lithium Trivanadate Cathodes During Cycling via Reformulated Physics-Based Models and Experiments
Abstract
Degradation of lithium trivanadate ( Li x V 3 O 8 ) cathodes has been widely reported in the literature, but studies have offered little insight towards developing a detailed understanding of the evolution of the active material, and have been inconclusive as to the root cause of degradation. Here, we refit a validated physics-based model to discharge curves over the course of cycling at C/5, and use the evolution of the model parameters to track evolution of the cathode. A regularization penalty for adjusting model parameters from the validated model is introduced as a framework to identify which model parameters can explain a significant portion of the observed change in the voltage profile over the course of cycling. SEM reveals that lithium trivandate particles fracture upon cycling at C/5, consistent with the results of the parameter estimation, deactivation of lithium trivanadate and faster diffusion of lithium within the active particles. The physics-based model is then used to design modified cycling protocols which identify the phase transformation during discharge of lithium trivanadate as the driver of the particle fracture and capacity fade.
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1835375
- Alternate Identifier(s):
- OSTI ID: 1798487
- Report Number(s):
- BNL-221696-2021-JAAM
Journal ID: ISSN 0013-4651
- Grant/Contract Number:
- SC0012704
- Resource Type:
- Published Article
- Journal Name:
- Journal of the Electrochemical Society
- Additional Journal Information:
- Journal Name: Journal of the Electrochemical Society Journal Volume: 168 Journal Issue: 5; Journal ID: ISSN 0013-4651
- Publisher:
- The Electrochemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 25 ENERGY STORAGE
Citation Formats
Mayilvahanan, K. S., Kuang, J., McCarthy, A. H., Wang, L., Takeuchi, K. J., Marschilok, A. M., Takeuchi, E. S., and West, A. C. Understanding Evolution of Lithium Trivanadate Cathodes During Cycling via Reformulated Physics-Based Models and Experiments. United States: N. p., 2021.
Web. doi:10.1149/1945-7111/abff67.
Mayilvahanan, K. S., Kuang, J., McCarthy, A. H., Wang, L., Takeuchi, K. J., Marschilok, A. M., Takeuchi, E. S., & West, A. C. Understanding Evolution of Lithium Trivanadate Cathodes During Cycling via Reformulated Physics-Based Models and Experiments. United States. https://doi.org/10.1149/1945-7111/abff67
Mayilvahanan, K. S., Kuang, J., McCarthy, A. H., Wang, L., Takeuchi, K. J., Marschilok, A. M., Takeuchi, E. S., and West, A. C. Tue .
"Understanding Evolution of Lithium Trivanadate Cathodes During Cycling via Reformulated Physics-Based Models and Experiments". United States. https://doi.org/10.1149/1945-7111/abff67.
@article{osti_1835375,
title = {Understanding Evolution of Lithium Trivanadate Cathodes During Cycling via Reformulated Physics-Based Models and Experiments},
author = {Mayilvahanan, K. S. and Kuang, J. and McCarthy, A. H. and Wang, L. and Takeuchi, K. J. and Marschilok, A. M. and Takeuchi, E. S. and West, A. C.},
abstractNote = {Degradation of lithium trivanadate ( Li x V 3 O 8 ) cathodes has been widely reported in the literature, but studies have offered little insight towards developing a detailed understanding of the evolution of the active material, and have been inconclusive as to the root cause of degradation. Here, we refit a validated physics-based model to discharge curves over the course of cycling at C/5, and use the evolution of the model parameters to track evolution of the cathode. A regularization penalty for adjusting model parameters from the validated model is introduced as a framework to identify which model parameters can explain a significant portion of the observed change in the voltage profile over the course of cycling. SEM reveals that lithium trivandate particles fracture upon cycling at C/5, consistent with the results of the parameter estimation, deactivation of lithium trivanadate and faster diffusion of lithium within the active particles. The physics-based model is then used to design modified cycling protocols which identify the phase transformation during discharge of lithium trivanadate as the driver of the particle fracture and capacity fade.},
doi = {10.1149/1945-7111/abff67},
journal = {Journal of the Electrochemical Society},
number = 5,
volume = 168,
place = {United States},
year = {Tue May 18 00:00:00 EDT 2021},
month = {Tue May 18 00:00:00 EDT 2021}
}
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Works referenced in this record:
Energy Dispersive X-ray Diffraction (EDXRD) of Li 1.1 V 3 O 8 Electrochemical Cell
journal, January 2017
- Zhang, Qing; Bruck, Andrea M.; Bock, David C.
- MRS Advances, Vol. 2, Issue 7
The Origin of Capacity Fading upon Lithium Cycling in Li[sub 1.1]V[sub 3]O[sub 8]
journal, January 2005
- Jouanneau, S.; Le Gal La Salle, A.; Verbaere, A.
- Journal of The Electrochemical Society, Vol. 152, Issue 8
Topotactically synthesized ultralong LiV3O8 nanowire cathode materials for high-rate and long-life rechargeable lithium batteries
journal, June 2012
- Xu, Xu; Luo, Yan-Zhu; Mai, Li-Qiang
- NPG Asia Materials, Vol. 4, Issue 6
High capacity lithium-ion battery cathode using LiV3O8 nanorods
journal, June 2013
- Sarkar, Sudeep; Banda, Harish; Mitra, Sagar
- Electrochimica Acta, Vol. 99
Influence of heat-treatment temperature on crystal structure, morphology and electrochemical properties of LiV3O8 prepared by hydrothermal reaction
journal, January 2009
- Xu, Jiaqiang; Zhang, Hailin; Zhang, Tao
- Journal of Alloys and Compounds, Vol. 467, Issue 1-2
Structural characterization of Li1+xV3O8 insertion electrodes by single-crystal X-ray diffraction
journal, August 1993
- Depicciotto, L.; Adendorff, K.; Liles, D.
- Solid State Ionics, Vol. 62, Issue 3-4
Design Principles to Govern Electrode Fabrication for the Lithium Trivanadate Cathode
journal, May 2020
- Mayilvahanan, Karthik; Brady, Nicholas; McCarthy, Alison H.
- Journal of The Electrochemical Society, Vol. 167, Issue 10
Parameter Estimation and Capacity Fade Analysis of Lithium-Ion Batteries Using Reformulated Models
journal, January 2011
- Ramadesigan, Venkatasailanathan; Chen, Kejia; Burns, Nancy A.
- Journal of The Electrochemical Society, Vol. 158, Issue 9
Capacity fading on cycling nano size grains of Li1.1V3O8, electrochemical investigation
journal, April 2010
- Tanguy, F.; Gaubicher, J.; Guyomard, D.
- Electrochimica Acta, Vol. 55, Issue 12
A large capacity of LiV3O8 cathode material for rechargeable lithium-based batteries
journal, January 2011
- Liu, Haimei; Wang, Yonggang; Yang, Wensheng
- Electrochimica Acta, Vol. 56, Issue 3
Electron Microscopy Study of the LiFePO[sub 4] to FePO[sub 4] Phase Transition
journal, January 2006
- Chen, Guoying; Song, Xiangyun; Richardson, Thomas J.
- Electrochemical and Solid-State Letters, Vol. 9, Issue 6
Review and Performance Comparison of Mechanical-Chemical Degradation Models for Lithium-Ion Batteries
journal, January 2019
- Reniers, Jorn M.; Mulder, Grietus; Howey, David A.
- Journal of The Electrochemical Society, Vol. 166, Issue 14
Impact of Synthesis Method on Phase Transformations of Layered Lithium Vanadium Oxide upon Electrochemical (De)lithiation
journal, January 2019
- Zhang, Qing; Yue, Shiyu; Quilty, Calvin D.
- Journal of The Electrochemical Society, Vol. 166, Issue 4
Operando Study of LiV 3 O 8 Cathode: Coupling EDXRD Measurements to Simulations
journal, January 2018
- Brady, Nicholas W.; Zhang, Qing; Bruck, Andrea
- Journal of The Electrochemical Society, Vol. 165, Issue 2
Discharge, Relaxation, and Charge Model for the Lithium Trivanadate Electrode: Reactions, Phase Change, and Transport
journal, January 2016
- Brady, Nicholas W.; Zhang, Qing; Knehr, K. W.
- Journal of The Electrochemical Society, Vol. 163, Issue 14
Electrochemistry of LiV[sub 3]O[sub 8] Nanoparticles Made by Flame Spray Pyrolysis
journal, January 2008
- Patey, T. J.; Ng, S. H.; Büchel, R.
- Electrochemical and Solid-State Letters, Vol. 11, Issue 4
A Physics-Based Model Capacity Fade Analysis of LiMn 2 O 4 /Graphite Cell at Different Temperatures
journal, November 2018
- Appiah, Williams Agyei; Ryou, Myung-Hyun; Lee, Yong Min
- Journal of The Electrochemical Society, Vol. 166, Issue 3
Li∕Li[sub 1+x]V[sub 3]O[sub 8] Secondary Batteries
journal, January 1985
- Pistoia, G.
- Journal of The Electrochemical Society, Vol. 132, Issue 2
Investigation of Structural Evolution of Li 1.1 V 3 O 8 by In Situ X-ray Diffraction and Density Functional Theory Calculations
journal, February 2017
- Zhang, Qing; Brady, Alexander B.; Pelliccione, Christopher J.
- Chemistry of Materials, Vol. 29, Issue 5
Aging modes analysis and physical parameter identification based on a simplified electrochemical model for lithium-ion batteries
journal, October 2020
- Li, Junfu; Wang, Dafang; Deng, Lei
- Journal of Energy Storage, Vol. 31
Performance of LiNiCoO2 materials for advanced lithium-ion batteries
journal, August 2005
- Itou, Yuichi; Ukyo, Yoshio
- Journal of Power Sources, Vol. 146, Issue 1-2
Capacity fade analysis of a lithium ion cell
journal, May 2008
- Zhang, Qi; White, Ralph E.
- Journal of Power Sources, Vol. 179, Issue 2
Influence of the morphology on the Li insertion properties of Li1.1V3O8
journal, January 2003
- Jouanneau, Séverine; Le Gal La Salle, Annie; Verbaere, Alain
- Journal of Materials Chemistry, Vol. 13, Issue 4
Low-temperature sol–gel synthesis of Li1.2V3O8 from V2O5 gel
journal, May 2003
- Xie, Jinggang; Li, Jinxia; Zhan, Hui
- Materials Letters, Vol. 57, Issue 18
Low-Temperature Synthesis of Polypyrrole-Coated LiV[sub 3]O[sub 8] Composite with Enhanced Electrochemical Properties
journal, January 2007
- Chew, Sau Yen; Feng, Chuanqi; Ng, See How
- Journal of The Electrochemical Society, Vol. 154, Issue 7
Solid solutions Li1+xV3O8 as cathodes for high rate secondary Li batteries
journal, August 1984
- Pistoia, G.
- Solid State Ionics, Vol. 13, Issue 4
TEM Study of Electrochemical Cycling-Induced Damage and Disorder in LiCoO[sub 2] Cathodes for Rechargeable Lithium Batteries
journal, January 1999
- Wang, Haifeng
- Journal of The Electrochemical Society, Vol. 146, Issue 2
Regression Shrinkage and Selection Via the Lasso
journal, January 1996
- Tibshirani, Robert
- Journal of the Royal Statistical Society: Series B (Methodological), Vol. 58, Issue 1