Operando Study of LiV 3 O 8 Cathode: Coupling EDXRD Measurements to Simulations
Abstract
The electrochemical and phase-change behavior of lithium trivanadate during lithiation and delithiation is analyzed by comparing a coupled electrode/crystal-scale mathematical model to operando experiments. The model expands on a previously published crystal-scale model by adding descriptions for electrode-scale resistances. Agreement between simulated and observed electrochemical measurements is compelling. Time and space-resolved operando EDXRD measurements on the cathode are compared with simulated concentration profiles. Both simulation and experiment reveal that during lithiation, phase transformations preferentially occur near the separator, while during delithiation the disappearance of the lithium-rich β-phase occurs uniformly across the electrode.
- Authors:
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for Mesoscale Transport Properties (m2mt); Brookhaven National Laboratory (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States); Columbia Univ., New York, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Inst. of Health (NIH) (United States); New York State Empire State Development (United States)
- OSTI Identifier:
- 1419341
- Alternate Identifier(s):
- OSTI ID: 1464107
- Report Number(s):
- BNL-207957-2018-JAAM
Journal ID: ISSN 0013-4651; /jes/165/2/A371.atom
- Grant/Contract Number:
- SC0012673; SC0012704; AC02-06CH11357; 1G20RR030893-01; C090171
- Resource Type:
- Journal Article: Published Article
- Journal Name:
- Journal of the Electrochemical Society
- Additional Journal Information:
- Journal Name: Journal of the Electrochemical Society Journal Volume: 165 Journal Issue: 2; Journal ID: ISSN 0013-4651
- Publisher:
- The Electrochemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; lithium trivanadate; modeling; operando
Citation Formats
Brady, Nicholas W., Zhang, Qing, Bruck, Andrea, Bock, David C., Gould, Christian Alexander, Marschilok, Amy C., Takeuchi, Kenneth, Takeuchi, Esther, and West, Alan C. Operando Study of LiV 3 O 8 Cathode: Coupling EDXRD Measurements to Simulations. United States: N. p., 2018.
Web. doi:10.1149/2.1291802jes.
Brady, Nicholas W., Zhang, Qing, Bruck, Andrea, Bock, David C., Gould, Christian Alexander, Marschilok, Amy C., Takeuchi, Kenneth, Takeuchi, Esther, & West, Alan C. Operando Study of LiV 3 O 8 Cathode: Coupling EDXRD Measurements to Simulations. United States. https://doi.org/10.1149/2.1291802jes
Brady, Nicholas W., Zhang, Qing, Bruck, Andrea, Bock, David C., Gould, Christian Alexander, Marschilok, Amy C., Takeuchi, Kenneth, Takeuchi, Esther, and West, Alan C. 2018.
"Operando Study of LiV 3 O 8 Cathode: Coupling EDXRD Measurements to Simulations". United States. https://doi.org/10.1149/2.1291802jes.
@article{osti_1419341,
title = {Operando Study of LiV 3 O 8 Cathode: Coupling EDXRD Measurements to Simulations},
author = {Brady, Nicholas W. and Zhang, Qing and Bruck, Andrea and Bock, David C. and Gould, Christian Alexander and Marschilok, Amy C. and Takeuchi, Kenneth and Takeuchi, Esther and West, Alan C.},
abstractNote = {The electrochemical and phase-change behavior of lithium trivanadate during lithiation and delithiation is analyzed by comparing a coupled electrode/crystal-scale mathematical model to operando experiments. The model expands on a previously published crystal-scale model by adding descriptions for electrode-scale resistances. Agreement between simulated and observed electrochemical measurements is compelling. Time and space-resolved operando EDXRD measurements on the cathode are compared with simulated concentration profiles. Both simulation and experiment reveal that during lithiation, phase transformations preferentially occur near the separator, while during delithiation the disappearance of the lithium-rich β-phase occurs uniformly across the electrode.},
doi = {10.1149/2.1291802jes},
url = {https://www.osti.gov/biblio/1419341},
journal = {Journal of the Electrochemical Society},
issn = {0013-4651},
number = 2,
volume = 165,
place = {United States},
year = {Thu Jan 25 00:00:00 EST 2018},
month = {Thu Jan 25 00:00:00 EST 2018}
}
Web of Science
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
Electrochemical reduction of an Ag 2 VO 2 PO 4 particle: dramatic increase of local electronic conductivity
journal, January 2015
- Kirshenbaum, Kevin C.; Bock, David C.; Brady, Alexander B.
- Physical Chemistry Chemical Physics, Vol. 17, Issue 17
Li∕Li[sub 1+x]V[sub 3]O[sub 8] Batteries
journal, January 1986
- Pasquali, M.
- Journal of The Electrochemical Society, Vol. 133, Issue 12
Mesoscale Transport in Magnetite Electrodes for Lithium-Ion Batteries
journal, September 2015
- Knehr, K. W.; Brady, N. W.; Lininger, C. N.
- ECS Transactions, Vol. 69, Issue 1
Modeling the Mesoscale Transport of Lithium-Magnetite Electrodes Using Insight from Discharge and Voltage Recovery Experiments
journal, January 2015
- Knehr, K. W.; Brady, Nicholas W.; Cama, Christina A.
- Journal of The Electrochemical Society, Vol. 162, Issue 14
Lithium insertion behaviour of Li1+xV3O8 prepared by precipitation technique in CH3OH
journal, July 1998
- Kawakita, Jin; Katayama, Yasushi; Miura, Takashi
- Solid State Ionics, Vol. 110, Issue 3-4
Template free synthesis of LiV 3 O 8 nanorods as a cathode material for high-rate secondary lithium batteries
journal, January 2011
- Pan, Anqiang; Liu, Jun; Zhang, Ji-Guang
- J. Mater. Chem., Vol. 21, Issue 4
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
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
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
A combined X-ray and neutron Rietveld study of the chemically lithiated electrode materials Li2.7V3O8 and Li4.8V3O8
journal, January 2005
- Jouanneau, S.; Verbaere, A.; Guyomard, D.
- Journal of Solid State Chemistry, Vol. 178, Issue 1
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
Three-dimensional carbon-conductive polymer–silver composite air electrodes for non-aqueous metal air batteries
journal, January 2013
- Marschilok, Amy C.; Lee, Shu Han; Milleville, Christopher C.
- Journal of Composite Materials, Vol. 47, Issue 1
Calculations of the thermodynamic and kinetic properties of Li V O
journal, June 2012
- Jiang, Tonghu; Falk, Michael L.
- Physical Review B, Vol. 85, Issue 24
Graphene-nanosheet-wrapped LiV3O8 nanocomposites as high performance cathode materials for rechargeable lithium-ion batteries
journal, March 2016
- Wang, Zong-Kai; Shu, Jie; Zhu, Qian-Cheng
- Journal of Power Sources, Vol. 307
Mapping the Inhomogeneous Electrochemical Reaction Through Porous LiFePO 4 -Electrodes in a Standard Coin Cell Battery
journal, March 2015
- Strobridge, Fiona C.; Orvananos, Bernardo; Croft, Mark
- Chemistry of Materials, Vol. 27, Issue 7
All solid state Li-Li1+x V3O8 secondary batteries
journal, December 1988
- Hammou, A.; Hammouche, A.
- Electrochimica Acta, Vol. 33, Issue 12
Phase Transition, Electrochemistry, and Structural Studies of High Rate Li x V 3 O 8 Cathode with Nanoplate Morphology
journal, October 2013
- Sarkar, S.; Bhowmik, Arghya; Dixit Bharadwaj, Mridula
- Journal of The Electrochemical Society, Vol. 161, Issue 1
Porous-electrode theory with battery applications
journal, January 1975
- Newman, John; Tiedemann, William
- AIChE Journal, Vol. 21, Issue 1
Transport and equilibrium characteristics of γ-lithium vanadium bronze
journal, July 1987
- Pistoia, G.
- Solid State Ionics, Vol. 24, Issue 2
Visualization of structural evolution and phase distribution of a lithium vanadium oxide (Li 1.1 V 3 O 8 ) electrode via an operando and in situ energy dispersive X-ray diffraction technique
journal, January 2017
- Zhang, Qing; Bruck, Andrea M.; Bock, David C.
- Physical Chemistry Chemical Physics, Vol. 19, Issue 21