Observation of an intermediate state during lithium intercalation of twisted bilayer MoS2

Wu, Yecun; Wang, Jingyang; Li, Yanbin; Zhou, Jiawei; Wang, Bai Yang; Yang, Ankun; Wang, Lin-Wang; Hwang, Harold Y.; Cui, Yi

doi:10.1038/s41467-022-30516-z

Title: Observation of an intermediate state during lithium intercalation of twisted bilayer MoS2

Journal Article · 29 May 2022 · Nature Communications

DOI: https://doi.org/10.1038/s41467-022-30516-z · OSTI ID:1870342

; Wang, Jingyang; Li, Yanbin;

;

; Yang, Ankun;

;

Abstract Lithium intercalation of MoS ₂ is generally believed to introduce a phase transition from H phase (semiconducting) to T phase (metallic). However, during the intercalation process, a spatially sharp boundary is usually formed between the fully intercalated T phase MoS ₂ and non-intercalated H phase MoS ₂ . The intermediate state, i.e ., lightly intercalated H phase MoS ₂ without a phase transition, is difficult to investigate by optical-microscope-based spectroscopy due to the narrow size. Here, we report the stabilization of the intermediate state across the whole flake of twisted bilayer MoS ₂ . The twisted bilayer system allows the lithium to intercalate from the top surface and enables fast Li-ion diffusion by the reduced interlayer interaction. The E _2g Raman mode of the intermediate state shows a peak splitting behavior. Our simulation results indicate that the intermediate state is stabilized by lithium-induced symmetry breaking of the H phase MoS ₂ . Our results provide an insight into the non-uniform intercalation during battery charging and discharging, and also open a new opportunity to modulate the properties of twisted 2D systems with guest species doping in the Moiré structures.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-05CH11231; AC02-76SF00515

OSTI ID:: 1870342

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 13; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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