Heterointerface Effects on Lithium-Induced Phase Transitions in Intercalated MoS<sub>2</sub>

نویسندگان

چکیده

The intercalation-induced phase transition of MoS2 from the semiconducting 2H to semimetallic 1T? has been studied in detail for nearly a decade; however, effects heterointerface between and other two-dimensional (2D) crystals on have largely overlooked. Here, ab initio calculations show that intercalating Li at MoS2–hexagonal boron nitride (hBN) interface stabilizes 1T over by ?100 mJ m –2, suggesting encapsulating with hBN may lower electrochemical energy needed transition. However, situ Raman spectroscopy hBN–MoS2–hBN heterostructures during intercalation Li+ shows occurs same applied voltage heterostructure as bare MoS2. We hypothesize predicted thermodynamic stabilization 1T?–MoS2–hBN is counteracted an barrier imposed steric hindrance heterointerface. voltages upon heating heterostructure, which supports our hypothesis. Our study highlights interfacial 2D can go beyond modulating electrical properties modify behaviors.

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ژورنال

عنوان ژورنال: ACS Applied Materials & Interfaces

سال: 2021

ISSN: ['1944-8244', '1944-8252']

DOI: https://doi.org/10.1021/acsami.0c21495