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

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

doi:10.1021/acs.nanolett.8b01680

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

Journal Article · Fri Jun 01 00:00:00 EDT 2018 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.8b01680· OSTI ID:1530367

^[1]; Sun, Dan ^[1]; Kang, Jun ^[1]; Wang, Hsiao-Tsu ^[2]; Hsieh, Shang-Hsien ^[3]; Pong, Way-Faung ^[4]; Bechtel, Hans A. ^[1]; Feng, Jun ^[1]; Wang, Lin-Wang ^[1];

^[5];

^[6]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
National Tsing Hua Univ., Hsinchu (Taiwan)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Tamkang Univ., Tamsui (Taiwan)
Tamkang Univ., Tamsui (Taiwan)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Santa Cruz, CA (United States)

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.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1530367

Journal Information:: Nano Letters, Vol. 18, Issue 7; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 35 works

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36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Lithium ion batteries
TiS2
electronic structure
in situ and operando
X-ray absorption spectroscopy

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

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