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Title: Electrochemically Induced Phase Evolution of Lithium Vanadium Oxide: Complementary Insights Gained via Ex-Situ, In-Situ, and Operando Experiments and Density Functional Theory

Abstract

ABSTRACT Understanding the structural evolution of electrode material during electrochemical activity is important to elucidate the mechanism of (de)lithiation, and improve the electrochemical function based on the material properties. In this study, lithium vanadium oxide (LVO, LiV3O8) was investigated using ex-situ, in-situ, and operando experiments. Via a combination of in-situ X-ray diffraction (XRD) and density functional theory results, a reversible structural evolution during lithiation was revealed: from Li poor α phase (LiV3O8) to Li rich α phase (Li2.5V3O8) and finally β phase (Li4V3O8). In-situ and operando energy dispersive X-ray diffraction (EDXRD) provided tomographic information to visualize the spatial location of the phase evolution within the LVO electrode while inside a sealed lithium ion battery.

Authors:
; ; ; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Mesoscale Transport Properties (m2M)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1470269
DOE Contract Number:  
SC0012673
Resource Type:
Journal Article
Journal Name:
MRS Advances
Additional Journal Information:
Journal Volume: 3; Journal Issue: 22; Related Information: m2M partners with Stony Brook University (lead); Brookhaven National Laboratory; Columbia University; Georgia Institute of Technology; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; University of California, Berkeley; University of North Carolina at Chapel Hill; Journal ID: ISSN 2059-8521
Publisher:
Materials Research Society (MRS)
Country of Publication:
United States
Language:
English
Subject:
energy storage (including batteries and capacitors), charge transport, mesostructured materials

Citation Formats

Yin, Jiefu, Li, Wenzao, Dunkin, Mikaela, Takeuchi, Esther S., Takeuchi, Kenneth J., and Marschilok, Amy C.. Electrochemically Induced Phase Evolution of Lithium Vanadium Oxide: Complementary Insights Gained via Ex-Situ, In-Situ, and Operando Experiments and Density Functional Theory. United States: N. p., 2018. Web. doi:10.1557/adv.2018.281.
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Yin, Jiefu, Li, Wenzao, Dunkin, Mikaela, Takeuchi, Esther S., Takeuchi, Kenneth J., & Marschilok, Amy C.. Electrochemically Induced Phase Evolution of Lithium Vanadium Oxide: Complementary Insights Gained via Ex-Situ, In-Situ, and Operando Experiments and Density Functional Theory. United States. https://doi.org/10.1557/adv.2018.281
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Yin, Jiefu, Li, Wenzao, Dunkin, Mikaela, Takeuchi, Esther S., Takeuchi, Kenneth J., and Marschilok, Amy C.. 2018. "Electrochemically Induced Phase Evolution of Lithium Vanadium Oxide: Complementary Insights Gained via Ex-Situ, In-Situ, and Operando Experiments and Density Functional Theory". United States. https://doi.org/10.1557/adv.2018.281.
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@article{osti_1470269,
title = {Electrochemically Induced Phase Evolution of Lithium Vanadium Oxide: Complementary Insights Gained via Ex-Situ, In-Situ, and Operando Experiments and Density Functional Theory},
author = {Yin, Jiefu and Li, Wenzao and Dunkin, Mikaela and Takeuchi, Esther S. and Takeuchi, Kenneth J. and Marschilok, Amy C.},
abstractNote = {ABSTRACT Understanding the structural evolution of electrode material during electrochemical activity is important to elucidate the mechanism of (de)lithiation, and improve the electrochemical function based on the material properties. In this study, lithium vanadium oxide (LVO, LiV3O8) was investigated using ex-situ, in-situ, and operando experiments. Via a combination of in-situ X-ray diffraction (XRD) and density functional theory results, a reversible structural evolution during lithiation was revealed: from Li poor α phase (LiV3O8) to Li rich α phase (Li2.5V3O8) and finally β phase (Li4V3O8). In-situ and operando energy dispersive X-ray diffraction (EDXRD) provided tomographic information to visualize the spatial location of the phase evolution within the LVO electrode while inside a sealed lithium ion battery.},
doi = {10.1557/adv.2018.281},
url = {https://www.osti.gov/biblio/1470269}, journal = {MRS Advances},
issn = {2059-8521},
number = 22,
volume = 3,
place = {United States},
year = {2018},
month = {1}
}
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Journal Article:
https://doi.org/10.1557/adv.2018.281
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Works referenced in this record:

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

In situ strain profiling of elastoplastic bending in Ti–6Al–4V alloy by synchrotron energy dispersive x-ray diffraction
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High capacity positive electrodes for secondary Mg-ion batteries
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Li6V10O28, a novel cathode material for Li-ion battery
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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

Anode Characterization in Zinc-Manganese Dioxide AA Alkaline Batteries Using Electrochemical-Acoustic Time-of-Flight Analysis
journal, January 2016

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