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Title: Visualization of structural evolution and phase distribution of a lithium vanadium oxide (Li 1.1V 3O 8) electrode via an operando and in situ energy dispersive X-ray diffraction technique

Abstract

We present Li 1+nV 3O 8 (n = 0–0.2) has been extensively investigated as a cathode material for Li ion batteries because of its superior electrochemical properties including high specific energy and good rate capability. In this paper, a synchrotron based energy dispersive X-ray diffraction (EDXRD) technique was employed to profile the phase transitions and the spatial phase distribution of a Li 1.1V 3O 8 electrode during electrochemical (de)lithiation in situ and operando. As annealing temperature during the preparation of the Li 1.1V 3O 8 material has a strong influence on the morphology and crystallinity, and consequently influences the electrochemical outcomes of the material, Li 1.1V 3O 8 materials prepared at two different temperatures, 500 and 300°C (LVO500 and LVO300), were employed in this study. The EDXRD spectra of LVO500 and LVO300 cells pre-discharged at C/18, C/40 and C/150 were recorded in situ, and phase localization and relative intensity of the peaks were compared. For cells discharged at the C/18 rate, although α and β phases were distributed uniformly within the LVO500 electrode, they were localized on two sides of the LVO300 electrode. Discharging rates of C/40 and C/150 led to homogeneous β phase formation in both LVO500 and LVO300more » electrodes. Furthermore, the phase distribution as a function of position and (de)lithiation extent was mapped operando as the LVO500 cell was (de)lithiated. In conclusion, the operando data indicate that (1) the lithiation reaction initiated from the side of the electrode facing the Li anode and proceeded towards the side facing the steel can, (2) during discharge the phase transformation from a Li-poor to a Li-rich α phase and the formation of a β phase can proceed simultaneously in the electrode after the first formation of a β phase, and (3) the structural evolution occurring during charging is not the reverse of that during discharge and takes place homogenously throughout the electrode.« less

Authors:
 [1];  [2];  [3];  [1];  [4];  [5];  [6];  [7];  [8]; ORCiD logo [7]
  1. Stony Brook Univ., NY (United States). Department of Materials Science and Engineering
  2. Stony Brook Univ., NY (United States). Dept. of Chemistry
  3. Brookhaven National Lab. (BNL), Upton, NY (United States). Energy Sciences Directorate
  4. Rensselaer Polytechnic Inst., Troy, NY (United States). Department of Materials Science and Engineering
  5. Rensselaer Polytechnic Inst., Troy, NY (United States). Department of Materials Science and Engineering and Center for Materials, Devices, and Integrated Systems
  6. Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
  7. Stony Brook Univ., NY (United States). Department of Materials Science and Engineering and Department of Chemistry
  8. Stony Brook Univ., NY (United States). Department of Materials Science and Engineering and Department of Chemistry; Brookhaven National Lab. (BNL), Upton, NY (United States). Energy Sciences Directorate
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1376157
Report Number(s):
BNL-114114-2017-JA
Journal ID: ISSN 1463-9076
Grant/Contract Number:
SC0012704; SC0012673; AC02-06CH11357
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 19; Journal Issue: 21; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Zhang, Qing, Bruck, Andrea M., Bock, David C., Li, Jing, Sarbada, Varun, Hull, Robert, Stach, Eric A., Takeuchi, Kenneth J., Takeuchi, Esther S., and Marschilok, Amy C.. Visualization of structural evolution and phase distribution of a lithium vanadium oxide (Li1.1V3O8) electrode via an operando and in situ energy dispersive X-ray diffraction technique. United States: N. p., 2017. Web. doi:10.1039/c7cp02239e.
Zhang, Qing, Bruck, Andrea M., Bock, David C., Li, Jing, Sarbada, Varun, Hull, Robert, Stach, Eric A., Takeuchi, Kenneth J., Takeuchi, Esther S., & Marschilok, Amy C.. Visualization of structural evolution and phase distribution of a lithium vanadium oxide (Li1.1V3O8) electrode via an operando and in situ energy dispersive X-ray diffraction technique. United States. doi:10.1039/c7cp02239e.
Zhang, Qing, Bruck, Andrea M., Bock, David C., Li, Jing, Sarbada, Varun, Hull, Robert, Stach, Eric A., Takeuchi, Kenneth J., Takeuchi, Esther S., and Marschilok, Amy C.. 2017. "Visualization of structural evolution and phase distribution of a lithium vanadium oxide (Li1.1V3O8) electrode via an operando and in situ energy dispersive X-ray diffraction technique". United States. doi:10.1039/c7cp02239e.
@article{osti_1376157,
title = {Visualization of structural evolution and phase distribution of a lithium vanadium oxide (Li1.1V3O8) electrode via an operando and in situ energy dispersive X-ray diffraction technique},
author = {Zhang, Qing and Bruck, Andrea M. and Bock, David C. and Li, Jing and Sarbada, Varun and Hull, Robert and Stach, Eric A. and Takeuchi, Kenneth J. and Takeuchi, Esther S. and Marschilok, Amy C.},
abstractNote = {We present Li1+nV3O8 (n = 0–0.2) has been extensively investigated as a cathode material for Li ion batteries because of its superior electrochemical properties including high specific energy and good rate capability. In this paper, a synchrotron based energy dispersive X-ray diffraction (EDXRD) technique was employed to profile the phase transitions and the spatial phase distribution of a Li1.1V3O8 electrode during electrochemical (de)lithiation in situ and operando. As annealing temperature during the preparation of the Li1.1V3O8 material has a strong influence on the morphology and crystallinity, and consequently influences the electrochemical outcomes of the material, Li1.1V3O8 materials prepared at two different temperatures, 500 and 300°C (LVO500 and LVO300), were employed in this study. The EDXRD spectra of LVO500 and LVO300 cells pre-discharged at C/18, C/40 and C/150 were recorded in situ, and phase localization and relative intensity of the peaks were compared. For cells discharged at the C/18 rate, although α and β phases were distributed uniformly within the LVO500 electrode, they were localized on two sides of the LVO300 electrode. Discharging rates of C/40 and C/150 led to homogeneous β phase formation in both LVO500 and LVO300 electrodes. Furthermore, the phase distribution as a function of position and (de)lithiation extent was mapped operando as the LVO500 cell was (de)lithiated. In conclusion, the operando data indicate that (1) the lithiation reaction initiated from the side of the electrode facing the Li anode and proceeded towards the side facing the steel can, (2) during discharge the phase transformation from a Li-poor to a Li-rich α phase and the formation of a β phase can proceed simultaneously in the electrode after the first formation of a β phase, and (3) the structural evolution occurring during charging is not the reverse of that during discharge and takes place homogenously throughout the electrode.},
doi = {10.1039/c7cp02239e},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 21,
volume = 19,
place = {United States},
year = 2017,
month = 5
}

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