Expanded lithiation of titanium disulfide: Reaction kinetics of multi-step conversion reaction
Abstract
Phase evolution during a thorough Li ion's insertion of electrode materials governs their battery performance during charge and discharge. Here we investigated the lithiation pathway of titanium disulfide using in situ TEM combined with synchrotron-based pair distribution function measurement and first-principles calculations. A 2D intercalation reaction proceeds along with a transition from van der Waals interaction between Ti-S slabs to the covalent bonding of S-Li-S, with no symmetry broken. Further lithiation triggers unconventionally multiple step conversion reactions as proved: LiTiS2→TiS→Ti2S→Ti. The conversion reaction pathway is also verified in fully discharged sample in coin-cell. Here, the expanded conversion chemistry is supposed to increase the capacity of TiS2 electrode and downgrade the cyclability, whereas the existence of intermediate phases shows the promise of improving the reversibility with a successful control of the state of charge.
- Authors:
-
[5]
- Northwestern Polytechnical Univ., Xi'an (People's Republic of China); Brookhaven National Lab. (BNL), Upton, NY (United States)
- Northwestern Univ., Evanston, IL (United States); Harvard Univ., Cambridge, MA (United States)
- Northwestern Polytechnical Univ., Xi'an (People's Republic of China)
- Univ. of Houston, Houston, TX (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Univ. of Pennsylvania, Philadelphia, PA (United States)
- Northwestern Univ., Evanston, IL (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for Electrical Energy Storage (CEES); Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1557705
- Alternate Identifier(s):
- OSTI ID: 1542525
- Report Number(s):
- BNL-211912-2019-JAAM
Journal ID: ISSN 2211-2855
- Grant/Contract Number:
- SC0012704
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nano Energy
- Additional Journal Information:
- Journal Volume: 63; Journal Issue: C; Journal ID: ISSN 2211-2855
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 29 ENERGY PLANNING, POLICY AND ECONOMY; Lithium ion battery; 2D metal chalcogenides; Conversion reaction; In situ transmission electron microsco-py; Lithiation
Citation Formats
Fu, Maosen, Yao, Zhenpeng, Ma, Xiao, Dong, Hui, Sun, Ke, Hwang, Sooyeon, Hu, Enyuan, Gan, Hong, Yao, Yan, Stach, Eric A., Wolverton, Chris, and Su, Dong. Expanded lithiation of titanium disulfide: Reaction kinetics of multi-step conversion reaction. United States: N. p., 2019.
Web. doi:10.1016/j.nanoen.2019.103882.
Fu, Maosen, Yao, Zhenpeng, Ma, Xiao, Dong, Hui, Sun, Ke, Hwang, Sooyeon, Hu, Enyuan, Gan, Hong, Yao, Yan, Stach, Eric A., Wolverton, Chris, & Su, Dong. Expanded lithiation of titanium disulfide: Reaction kinetics of multi-step conversion reaction. United States. https://doi.org/10.1016/j.nanoen.2019.103882
Fu, Maosen, Yao, Zhenpeng, Ma, Xiao, Dong, Hui, Sun, Ke, Hwang, Sooyeon, Hu, Enyuan, Gan, Hong, Yao, Yan, Stach, Eric A., Wolverton, Chris, and Su, Dong. Sat .
"Expanded lithiation of titanium disulfide: Reaction kinetics of multi-step conversion reaction". United States. https://doi.org/10.1016/j.nanoen.2019.103882. https://www.osti.gov/servlets/purl/1557705.
@article{osti_1557705,
title = {Expanded lithiation of titanium disulfide: Reaction kinetics of multi-step conversion reaction},
author = {Fu, Maosen and Yao, Zhenpeng and Ma, Xiao and Dong, Hui and Sun, Ke and Hwang, Sooyeon and Hu, Enyuan and Gan, Hong and Yao, Yan and Stach, Eric A. and Wolverton, Chris and Su, Dong},
abstractNote = {Phase evolution during a thorough Li ion's insertion of electrode materials governs their battery performance during charge and discharge. Here we investigated the lithiation pathway of titanium disulfide using in situ TEM combined with synchrotron-based pair distribution function measurement and first-principles calculations. A 2D intercalation reaction proceeds along with a transition from van der Waals interaction between Ti-S slabs to the covalent bonding of S-Li-S, with no symmetry broken. Further lithiation triggers unconventionally multiple step conversion reactions as proved: LiTiS2→TiS→Ti2S→Ti. The conversion reaction pathway is also verified in fully discharged sample in coin-cell. Here, the expanded conversion chemistry is supposed to increase the capacity of TiS2 electrode and downgrade the cyclability, whereas the existence of intermediate phases shows the promise of improving the reversibility with a successful control of the state of charge.},
doi = {10.1016/j.nanoen.2019.103882},
journal = {Nano Energy},
number = C,
volume = 63,
place = {United States},
year = {Sat Jul 06 00:00:00 EDT 2019},
month = {Sat Jul 06 00:00:00 EDT 2019}
}
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Figures / Tables:
Figure 1: Structure of pristine TiS2 sample and its electrochemical performance. (a) STEM-ADF image, with corresponding SAED at inset. (b) XRD pattern with the inset showing the structure models of TiS2 viewed along [001] and [010] zone axes. (c) Electron diffraction pattern and (inset) TEM-BF image of a single TiS2more »
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