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Title: Operando Study of LiV 3O 8 Cathode: Coupling EDXRD Measurements to Simulations

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:
 [1] ;  [2] ;  [3] ;  [4] ;  [1] ;  [5] ;  [6] ;  [5] ; ORCiD logo [7]
  1. Columbia Univ., New York, NY (United States). Dept. of Chemical Engineering
  2. Stony Brook Univ., NY (United States). Dept. of Materials Science and Engineering
  3. Stony Brook Univ., NY (United States). Dept. of Chemistry
  4. Brookhaven National Lab. (BNL), Upton, NY (United States). Energy Sciences Directorate
  5. Stony Brook Univ., NY (United States). Dept. of Materials Science and Engineering. Dept. of Chemistry; Brookhaven National Lab. (BNL), Upton, NY (United States). Energy Sciences Directorate
  6. Stony Brook Univ., NY (United States). Dept. of Materials Science and Engineering. Dept. of Chemistry
  7. Columbia Univ., New York, NY (United States). Dept. of Chemical Engineering. Dept. of Earth and Environmental Engineering
Publication Date:
Report Number(s):
BNL-207957-2018-JAAM
Journal ID: ISSN 0013-4651
Grant/Contract Number:
SC0012704; SC0012673; AC02-06CH11357; 1G20RR030893-01; C090171
Type:
Published Article
Journal Name:
Journal of the Electrochemical Society
Additional Journal Information:
Journal Volume: 165; Journal Issue: 2; Journal ID: ISSN 0013-4651
Publisher:
The Electrochemical Society
Research Org:
Brookhaven National Lab. (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) (SC-22); National Inst. of Health (NIH) (United States); New York State Empire State Development (United States)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; lithium trivanadate; modeling; operando
OSTI Identifier:
1419341
Alternate Identifier(s):
OSTI ID: 1464107

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 LiV3O8 Cathode: Coupling EDXRD Measurements to Simulations. United States: N. p., 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 LiV3O8 Cathode: Coupling EDXRD Measurements to Simulations. United States. 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, and West, Alan C.. 2018. "Operando Study of LiV3O8 Cathode: Coupling EDXRD Measurements to Simulations". United States. doi:10.1149/2.1291802jes.
@article{osti_1419341,
title = {Operando Study of LiV3O8 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},
journal = {Journal of the Electrochemical Society},
number = 2,
volume = 165,
place = {United States},
year = {2018},
month = {2}
}