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Title: Mapping polaronic states and lithiation gradients in individual V2O5 nanowires

Abstract

The rapid insertion and extraction of Li ions from a cathode material is imperative for the functioning of a Li-ion battery. In many cathode materials such as LiCoO 2 , lithiation proceeds through solid-solution formation, whereas in other materials such as LiFePO 4 lithiation/delithiation is accompanied by a phase transition between Li-rich and Li-poor phases. We demonstrate using scanning transmission X-ray microscopy (STXM) that in individual nanowires of layered V 2 O 5 , lithiation gradients observed on Li-ion intercalation arise from electron localization and local structural polarization. Electrons localized on the V 2 O 5 framework couple to local structural distortions, giving rise to small polarons that serves as a bottleneck for further Li-ion insertion. The stabilization of this polaron impedes equilibration of charge density across the nanowire and gives rise to distinctive domains. The enhancement in charge/discharge rates for this material on nanostructuring can be attributed to circumventing challenges with charge transport from polaron formation.

Authors:
 [1];  [1];  [2];  [1];  [3];  [4];  [5];  [3];  [4];  [2];  [1]
  1. Texas A & M Univ., College Station, TX (United States). Dept. of Chemistry, Dept. of Materials Science and Engineering
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry
  3. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Material Measurement Lab.
  4. Binghamton Univ., NY (United States). Dept. of Physics
  5. Univ. of Saskatchewan, Saskatoon, SK (Canada). Canadian Light Source
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1379408
Grant/Contract Number:  
AC02-05CH11231; AC02-98CH10886
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 7; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; applied physics; materials for energy and catalysis; nanowires

Citation Formats

De Jesus, Luis R., Horrocks, Gregory A., Liang, Yufeng, Parija, Abhishek, Jaye, Cherno, Wangoh, Linda, Wang, Jian, Fischer, Daniel A., Piper, Louis F. J., Prendergast, David, and Banerjee, Sarbajit. Mapping polaronic states and lithiation gradients in individual V2O5 nanowires. United States: N. p., 2016. Web. doi:10.1038/ncomms12022.
De Jesus, Luis R., Horrocks, Gregory A., Liang, Yufeng, Parija, Abhishek, Jaye, Cherno, Wangoh, Linda, Wang, Jian, Fischer, Daniel A., Piper, Louis F. J., Prendergast, David, & Banerjee, Sarbajit. Mapping polaronic states and lithiation gradients in individual V2O5 nanowires. United States. doi:10.1038/ncomms12022.
De Jesus, Luis R., Horrocks, Gregory A., Liang, Yufeng, Parija, Abhishek, Jaye, Cherno, Wangoh, Linda, Wang, Jian, Fischer, Daniel A., Piper, Louis F. J., Prendergast, David, and Banerjee, Sarbajit. Tue . "Mapping polaronic states and lithiation gradients in individual V2O5 nanowires". United States. doi:10.1038/ncomms12022. https://www.osti.gov/servlets/purl/1379408.
@article{osti_1379408,
title = {Mapping polaronic states and lithiation gradients in individual V2O5 nanowires},
author = {De Jesus, Luis R. and Horrocks, Gregory A. and Liang, Yufeng and Parija, Abhishek and Jaye, Cherno and Wangoh, Linda and Wang, Jian and Fischer, Daniel A. and Piper, Louis F. J. and Prendergast, David and Banerjee, Sarbajit},
abstractNote = {The rapid insertion and extraction of Li ions from a cathode material is imperative for the functioning of a Li-ion battery. In many cathode materials such as LiCoO 2 , lithiation proceeds through solid-solution formation, whereas in other materials such as LiFePO 4 lithiation/delithiation is accompanied by a phase transition between Li-rich and Li-poor phases. We demonstrate using scanning transmission X-ray microscopy (STXM) that in individual nanowires of layered V 2 O 5 , lithiation gradients observed on Li-ion intercalation arise from electron localization and local structural polarization. Electrons localized on the V 2 O 5 framework couple to local structural distortions, giving rise to small polarons that serves as a bottleneck for further Li-ion insertion. The stabilization of this polaron impedes equilibration of charge density across the nanowire and gives rise to distinctive domains. The enhancement in charge/discharge rates for this material on nanostructuring can be attributed to circumventing challenges with charge transport from polaron formation.},
doi = {10.1038/ncomms12022},
journal = {Nature Communications},
number = ,
volume = 7,
place = {United States},
year = {2016},
month = {6}
}

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    Works referencing / citing this record:

    Transport properties of electron small polarons in a V 2 O 5 cathode of Li-ion batteries: a computational study
    journal, January 2019

    • Watthaisong, Panuwat; Jungthawan, Sirichok; Hirunsit, Pussana
    • RSC Advances, Vol. 9, Issue 34
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    Transport properties of electron small polarons in a V 2 O 5 cathode of Li-ion batteries: a computational study
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    • Watthaisong, Panuwat; Jungthawan, Sirichok; Hirunsit, Pussana
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