Expanded lithiation of titanium disulfide: Reaction kinetics of multi-step conversion reaction

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

doi:10.1016/j.nanoen.2019.103882

Title: Expanded lithiation of titanium disulfide: Reaction kinetics of multi-step conversion reaction

Journal Article · 06 July 2019 · Nano Energy

DOI: https://doi.org/10.1016/j.nanoen.2019.103882 · OSTI ID:1557705

Fu, Maosen ^[1]; Yao, Zhenpeng ^[2]; Ma, Xiao ^[3]; Dong, Hui ^[4]; Sun, Ke ^[5]; Hwang, Sooyeon ^[5]; Hu, Enyuan ^[5]; Gan, Hong ^[5]; Yao, Yan ^[4]; Stach, Eric A. ^[6]; Wolverton, Chris ^[7];

^[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)

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.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Electrical Energy Storage (CEES); Brookhaven National Laboratory (BNL), Upton, NY (United States)

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

Grant/Contract Number:: SC0012704

OSTI ID:: 1557705

Alternate ID(s):: OSTI ID: 1542525

Report Number(s):: BNL-211912-2019-JAAM

Journal Information:: Nano Energy, Vol. 63, Issue C; ISSN 2211-2855

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 24 works

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Title: Expanded lithiation of titanium disulfide: Reaction kinetics of multi-step conversion reaction

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