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Heterointerface Effects on Lithium-Induced Phase Transitions in Intercalated MoS2.
Sajad Yazdani1,2, Joshua V Pondick1,2, Aakash Kumar1,2
1Department of Mechanical Engineering and Materials Science, Yale University, New Haven, Connecticut 06511, United States.
ACS Applied Materials & Interfaces
|February 17, 2021
Summary
Intercalating lithium into molybdenum disulfide (MoS2) within hexagonal boron nitride (hBN) heterostructures stabilizes the 1T phase. However, steric hindrance at the interface creates an energy barrier, requiring heating to lower the phase transition voltage.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Surface Science
Background:
- The semiconducting 2H to semimetallic 1T' phase transition in molybdenum disulfide (MoS2) is crucial for its applications.
- Interfacial effects on this phase transition in two-dimensional (2D) heterostructures remain largely unexplored.
Purpose of the Study:
- To investigate the influence of a hexagonal boron nitride (hBN) heterointerface on the intercalation-induced phase transition of MoS2.
- To understand the interplay between thermodynamic stabilization and kinetic barriers at the MoS2-hBN interface.
Main Methods:
- First-principles (ab initio) calculations to predict interfacial energy.
- In situ Raman spectroscopy to monitor phase transitions during electrochemical lithium intercalation.
- Analysis of heterostructures under varying temperatures.
Main Results:
- Ab initio calculations predict thermodynamic stabilization of the 1T phase of MoS2 at the MoS2-hBN interface.
- In situ Raman spectroscopy reveals the phase transition occurs at similar voltages for heterostructures and bare MoS2.
- Heating the heterostructure lowers the applied voltage for the phase transition, supporting the steric hindrance hypothesis.
Conclusions:
- Interfacial effects in 2D heterostructures significantly impact electrochemical and phase transition behaviors, not just electrical properties.
- Steric hindrance at the MoS2-hBN interface introduces a kinetic barrier that counteracts thermodynamic stabilization.
- Understanding these interfacial phenomena is key for designing advanced 2D material-based devices.
Keywords:
MoS2−hexagonal boron nitride (hBN) interfaceheterointerfacein situ Raman spectroscopyintercalation-induced phase transitionMore Related Videos
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