“…S2a (ESI †), due to the translational invariance, although there the some negligibly small imaginary modes near the G point, the absence of imaginary frequencies in the other q points throughout the Brillouin zone in the phonon dispersion curves satisfies the required dynamic stability. 10,67,72 After AIMD simulations at 300 K, the Janus CrSSe monolayer maintains its original structure without any reconstruction (Fig. S2b, ESI †).…”