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

Brady, Nicholas W.; Zhang, Qing; Bruck, Andrea; Bock, David C.; Gould, Christian Alexander; Marschilok, Amy C.; Takeuchi, Kenneth; Takeuchi, Esther; West, Alan C.

doi:10.1149/2.1291802jes

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

Journal Article · Thu Jan 25 00:00:00 EST 2018 · Journal of the Electrochemical Society

DOI:https://doi.org/10.1149/2.1291802jes· OSTI ID:1419341

Brady, Nicholas W.; Zhang, Qing; Bruck, Andrea; Bock, David C.; Gould, Christian Alexander; Marschilok, Amy C.; Takeuchi, Kenneth; Takeuchi, Esther;

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.

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Research Organization:: 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 Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Inst. of Health (NIH) (United States); New York State Empire State Development (United States)

Grant/Contract Number:: SC0012673; SC0012704; AC02-06CH11357; 1G20RR030893-01; C090171

OSTI ID:: 1419341

Alternate ID(s):: OSTI ID: 1464107

Report Number(s):: BNL-207957-2018-JAAM; /jes/165/2/A371.atom

Journal Information:: Journal of the Electrochemical Society, Journal Name: Journal of the Electrochemical Society Vol. 165 Journal Issue: 2; ISSN 0013-4651

Publisher:: The Electrochemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 16 works

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
lithium trivanadate
modeling
operando

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

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