skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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:
; ; ; ; ; ; ; ; ORCiD logo
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}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at https://doi.org/10.1149/2.1291802jes

Citation Metrics:
Cited by: 16 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Energy Dispersive X-ray Diffraction (EDXRD) of Li 1.1 V 3 O 8 Electrochemical Cell
journal, January 2017


Electrochemical reduction of an Ag 2 VO 2 PO 4 particle: dramatic increase of local electronic conductivity
journal, January 2015


Li∕Li[sub 1+x]V[sub 3]O[sub 8] Batteries
journal, January 1986


Mesoscale Transport in Magnetite Electrodes for Lithium-Ion Batteries
journal, September 2015


Modeling the Mesoscale Transport of Lithium-Magnetite Electrodes Using Insight from Discharge and Voltage Recovery Experiments
journal, January 2015


Lithium insertion behaviour of Li1+xV3O8 prepared by precipitation technique in CH3OH
journal, July 1998


Template free synthesis of LiV 3 O 8 nanorods as a cathode material for high-rate secondary lithium batteries
journal, January 2011


Discharge, Relaxation, and Charge Model for the Lithium Trivanadate Electrode: Reactions, Phase Change, and Transport
journal, January 2016


Structural characterization of Li1+xV3O8 insertion electrodes by single-crystal X-ray diffraction
journal, August 1993


Li∕Li[sub 1+x]V[sub 3]O[sub 8] Secondary Batteries
journal, January 1985


A combined X-ray and neutron Rietveld study of the chemically lithiated electrode materials Li2.7V3O8 and Li4.8V3O8
journal, January 2005


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


Three-dimensional carbon-conductive polymer–silver composite air electrodes for non-aqueous metal air batteries
journal, January 2013


Calculations of the thermodynamic and kinetic properties of Li 1 + x V 3 O 8
journal, June 2012


Mapping the Inhomogeneous Electrochemical Reaction Through Porous LiFePO 4 -Electrodes in a Standard Coin Cell Battery
journal, March 2015


All solid state Li-Li1+x V3O8 secondary batteries
journal, December 1988


Phase Transition, Electrochemistry, and Structural Studies of High Rate Li x V 3 O 8 Cathode with Nanoplate Morphology
journal, October 2013


Porous-electrode theory with battery applications
journal, January 1975