Spectroscopic Signatures of Interlayer Coupling in Janus MoSSe/MoS2 Heterostructures

Kunyan Zhang, Yunfan Guo, Daniel T. Larson, Ziyan Zhu, Shiang Fang, Efthimios Kaxiras, Jing Kong, Shengxi Huang

Research output: Contribution to journalArticlepeer-review

40 Scopus citations


The interlayer coupling in van der Waals heterostructures governs a variety of optical and electronic properties. The intrinsic dipole moment of Janus transition metal dichalcogenides (TMDs) offers a simple and versatile approach to tune the interlayer interactions. In this work, we demonstrate how the van der Waals interlayer coupling and charge transfer of Janus MoSSe/MoS2 heterobilayers can be tuned by the twist angle and interface composition. Specifically, the Janus heterostructures with a sulfur/sulfur (S/S) interface display stronger interlayer coupling than the heterostructures with a selenium/sulfur (Se/S) interface as shown by the low-frequency Raman modes. The differences in interlayer interactions are explained by the interlayer distance computed by density-functional theory (DFT). More intriguingly, the built-in electric field contributed by the charge density redistribution and interlayer coupling also play important roles in the interfacial charge transfer. Namely, the S/S and Se/S interfaces exhibit different levels of photoluminescence (PL) quenching of MoS2 A exciton, suggesting enhanced and reduced charge transfer at the S/S and Se/S interface, respectively. Our work demonstrates how the asymmetry of Janus TMDs can be used to tailor the interfacial interactions in van der Waals heterostructures.

Original languageEnglish (US)
Pages (from-to)14394-14403
Number of pages10
JournalACS nano
Issue number9
StatePublished - Sep 28 2021

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • General Engineering
  • General Physics and Astronomy


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