Fig. 1: Structural model and phase stability of 2D MoSH. | npj 2D Materials and Applications

Fig. 1: Structural model and phase stability of 2D MoSH.

From: Electrocatalytic mechanism for overall water splitting to produce sustainable hydrogen by 2D Janus MoSH monolayer

Fig. 1

a Fully optimized structure with top and side view, (b) phonon dispersion spectra, (c) fully optimized structure with top and side view before and after AIMD simulations, and (d) the change of total energy at room temperature (300 K) as a function of time with a (5 × 5 × 1) supercell of the Janus 2D MoSH monolayer.

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