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

Published online by Cambridge University Press:  08 March 2018

Jiefu Yin ,
Wenzao Li ,
Mikaela Dunkin ,
Esther S. Takeuchi ,
Kenneth J. Takeuchi  and
Amy C. Marschilok
Jiefu Yin
Affiliation:
Department of Chemistry, Stony Brook University, Stony Brook, N.Y., 11794.
Wenzao Li
Affiliation:
Department of Chemistry, Stony Brook University, Stony Brook, N.Y., 11794.
Mikaela Dunkin
Affiliation:
Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, N.Y, 11794.
Esther S. Takeuchi
Affiliation:
Department of Chemistry, Stony Brook University, Stony Brook, N.Y., 11794. Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, N.Y, 11794. Energy and Photon Sciences Directorate, Brookhaven National Laboratory, Upton, N.Y., 11973.
Kenneth J. Takeuchi
Affiliation:
Department of Chemistry, Stony Brook University, Stony Brook, N.Y., 11794. Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, N.Y, 11794.
Amy C. Marschilok*
Affiliation:
Department of Chemistry, Stony Brook University, Stony Brook, N.Y., 11794. Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, N.Y, 11794. Energy and Photon Sciences Directorate, Brookhaven National Laboratory, Upton, N.Y., 11973.
*
*corresponding author: amy.marschilok@stonybrook.edu
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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.

Keywords

LiVenergy storage
Type
Articles
Information
MRS Advances , Volume 3 , Issue 22: Energy and Sustainability , 2018 , pp. 1255 - 1260
Copyright
Copyright © Materials Research Society 2018 

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Footnotes

ŧ

Equivalent contributions.

References

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