Lithiation‐driven LiCrSe₂ shell growth on metallic CrSe₂ core governs the plateau–slope behavior

Li, Weihao, Döhn, Johannes, Han, Xiao, Zhang, Licheng, Pickup, Dave M., Xiao, Xiong, Miao, Yidong, Samuel, Arun Kumar, Draper, Emily R., Chadwick, Alan V., and others. (2026) Lithiation‐driven LiCrSe₂ shell growth on metallic CrSe₂ core governs the plateau–slope behavior. Advanced Science, . Article Number e23702. E-ISSN 2198-3844. (doi:10.1002/advs.202523702) (KAR id:113448)

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Official URL: https://doi.org/10.1002/advs.202523702

Abstract

The growing demand for high-performance lithium-ion batteries necessitates the development of cathode materials that combine high capacity, structural stability, and rapid charge–discharge capability. First-principles calculations predict that layered CrSe₂ possesses a robust framework capable of accommodating one Li⁺ per formula unit while intrinsically supporting fast Li-ion diffusion. Muon spin rotation (µ⁺SR) measurements validate this prediction, revealing fast Li⁺ diffusion in pre-lithiated CrSe₂. Consistent with these findings, electrochemical testing demonstrates a reversible capacity of 125.3 mAh g⁻¹ at 0.1C, approaching the theoretical value of 127.7 mAh g⁻¹, with stable cycling and good rate capability. In operando X-ray diffraction and electrochemical impedance spectroscopy further reveal a reversible topotactic transition and a lithiation-driven core-shell evolution during cycling. These results show that lithiation-induced conductivity changes govern the electrochemical behavior of CrSe₂, highlighting its potential as a high-performance cathode for LIBs. This study provides new insight into intercalation processes in layered transition-metal chalcogenides and informs the design of fast-charging electrodes.

Item Type:	Article
DOI/Identification number:	10.1002/advs.202523702
Uncontrolled keywords:	CrSe₂; core-shell lithiation; lithium-ion batteries; layered transition metal dichalcogenides
Subjects:	Q Science
Institutional Unit:	Schools > School of Engineering, Mathematics and Physics > Physics and Astronomy
Former Institutional Unit:	There are no former institutional units.
Funders:	Deutsche Forschungsgemeinschaft (https://ror.org/018mejw64) UK Research and Innovation (https://ror.org/001aqnf71) Engineering and Physical Sciences Research Council (https://ror.org/0439y7842)
SWORD Depositor:	JISC Publications Router
Depositing User:	JISC Publications Router
Date Deposited:	08 Apr 2026 11:25 UTC
Last Modified:	15 Apr 2026 13:05 UTC
Resource URI:	https://kar.kent.ac.uk/id/eprint/113448 (The current URI for this page, for reference purposes)

University of Kent Author Information

Pickup, Dave M..

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Chadwick, Alan V..

Creator's ORCID:	https://orcid.org/0000-0002-6485-9207
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