Superconductivity and phase stability in various combinations of Janus MoSH bilayers

Abstract Two-dimensional (2D) Janus MoSH has garnered significant attention following the experimental realization [X Wan et al ACS Nano 15, 20319 (2021); A Y Lu et al Nat. Nanotechnol. 12, 744 (2017)] of the 2H-MoSH phase as a hydrogenated transition-metal dichalcogenide (TMD) and subsequent predictions of its superconductivity at temperatures around 26.8K. Building on these foundational studies, this work investigates the two-dimensional Janus MoSH bilayer as a promising candidate within the family of hydrogenated TMDs. Our findings identify the most energetically favorable stacking configuration, which exhibits metallic behavior and potential for phonon-mediated superconductivity with a critical temperature ( T c ) of 7K. These results emphasize the promise of the Janus MoSH bilayer as a key material for advancing the understanding of 2D superconductivity and pave the way for future exploration of novel Janus transition-metal chalcogenides.