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Title: Tracking the Chemical and Structural Evolution of the TiS2 Electrode in the Lithium-Ion Cell Using Operando X-ray Absorption Spectroscopy

Abstract

As the lightest and cheapest transition metal dichalcogenide, TiS2 possesses great potential as an electrode material for lithium batteries due to the advantages of high energy density storage capability, fast ion diffusion rate, and low volume expansion. Despite the extensive investigation of its electrochemical properties, the fundamental discharge-charge reaction mechanism of the TiS2 electrode is still elusive. In this paper, by a combination of ex situ and operando X-ray absorption spectroscopy with density functional theory calculations, we have clearly elucidated the evolution of the structural and chemical properties of TiS2 during the discharge-charge processes. The lithium intercalation reaction is highly reversible and both Ti and sulfur are involved in the redox reaction during the discharge and charge processes. In contrast, the conversion reaction of TiS2 is partially reversible in the first cycle. However, Ti–O related compounds are developed during electrochemical cycling over extended cycles, which results in the decrease of the conversion reaction reversibility and the rapid capacity fading. In addition, the solid electrolyte interphase formed on the electrode surface is found to be highly dynamic in the initial cycles and then gradually becomes more stable upon further cycling. Finally, such understanding is important for the future design and optimizationmore » of TiS2 based electrodes for lithium batteries.« less

Authors:
ORCiD logo [1];  [1];  [1];  [2];  [3];  [4];  [1];  [1];  [1]; ORCiD logo [5]; ORCiD logo [6]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. National Tsing Hua Univ., Hsinchu (Taiwan)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Tamkang Univ., Tamsui (Taiwan)
  4. Tamkang Univ., Tamsui (Taiwan)
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
  6. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Santa Cruz, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1530367
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Nano Letters
Additional Journal Information:
Journal Volume: 18; Journal Issue: 7; Journal ID: ISSN 1530-6984
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 25 ENERGY STORAGE; Lithium ion batteries; TiS2; electronic structure; in situ and operando; X-ray absorption spectroscopy

Citation Formats

Zhang, Liang, Sun, Dan, Kang, Jun, Wang, Hsiao-Tsu, Hsieh, Shang-Hsien, Pong, Way-Faung, Bechtel, Hans A., Feng, Jun, Wang, Lin-Wang, Cairns, Elton J., and Guo, Jinghua. Tracking the Chemical and Structural Evolution of the TiS2 Electrode in the Lithium-Ion Cell Using Operando X-ray Absorption Spectroscopy. United States: N. p., 2018. Web. https://doi.org/10.1021/acs.nanolett.8b01680.
Zhang, Liang, Sun, Dan, Kang, Jun, Wang, Hsiao-Tsu, Hsieh, Shang-Hsien, Pong, Way-Faung, Bechtel, Hans A., Feng, Jun, Wang, Lin-Wang, Cairns, Elton J., & Guo, Jinghua. Tracking the Chemical and Structural Evolution of the TiS2 Electrode in the Lithium-Ion Cell Using Operando X-ray Absorption Spectroscopy. United States. https://doi.org/10.1021/acs.nanolett.8b01680
Zhang, Liang, Sun, Dan, Kang, Jun, Wang, Hsiao-Tsu, Hsieh, Shang-Hsien, Pong, Way-Faung, Bechtel, Hans A., Feng, Jun, Wang, Lin-Wang, Cairns, Elton J., and Guo, Jinghua. Fri . "Tracking the Chemical and Structural Evolution of the TiS2 Electrode in the Lithium-Ion Cell Using Operando X-ray Absorption Spectroscopy". United States. https://doi.org/10.1021/acs.nanolett.8b01680. https://www.osti.gov/servlets/purl/1530367.
@article{osti_1530367,
title = {Tracking the Chemical and Structural Evolution of the TiS2 Electrode in the Lithium-Ion Cell Using Operando X-ray Absorption Spectroscopy},
author = {Zhang, Liang and Sun, Dan and Kang, Jun and Wang, Hsiao-Tsu and Hsieh, Shang-Hsien and Pong, Way-Faung and Bechtel, Hans A. and Feng, Jun and Wang, Lin-Wang and Cairns, Elton J. and Guo, Jinghua},
abstractNote = {As the lightest and cheapest transition metal dichalcogenide, TiS2 possesses great potential as an electrode material for lithium batteries due to the advantages of high energy density storage capability, fast ion diffusion rate, and low volume expansion. Despite the extensive investigation of its electrochemical properties, the fundamental discharge-charge reaction mechanism of the TiS2 electrode is still elusive. In this paper, by a combination of ex situ and operando X-ray absorption spectroscopy with density functional theory calculations, we have clearly elucidated the evolution of the structural and chemical properties of TiS2 during the discharge-charge processes. The lithium intercalation reaction is highly reversible and both Ti and sulfur are involved in the redox reaction during the discharge and charge processes. In contrast, the conversion reaction of TiS2 is partially reversible in the first cycle. However, Ti–O related compounds are developed during electrochemical cycling over extended cycles, which results in the decrease of the conversion reaction reversibility and the rapid capacity fading. In addition, the solid electrolyte interphase formed on the electrode surface is found to be highly dynamic in the initial cycles and then gradually becomes more stable upon further cycling. Finally, such understanding is important for the future design and optimization of TiS2 based electrodes for lithium batteries.},
doi = {10.1021/acs.nanolett.8b01680},
journal = {Nano Letters},
number = 7,
volume = 18,
place = {United States},
year = {2018},
month = {6}
}

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Figures / Tables:

Figure 1 Figure 1: (a) Discharge/charge voltage profiles, (b) cycling performance and Coulombic efficiency of TiS2 electrodes with a discharge cutoff voltage of 1.4 V. (c) Discharge/charge voltage profiles, (d) cycling performance and Coulombic efficiency of TiS2 electrodes with a discharge cutoff voltage of 0.05 V. The specific current is 0.2 A/g.

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