Fig. 7: Structural model of water adsorption on 2D MoSH surface, density of states and corresponding charge density difference profile. | npj 2D Materials and Applications

Fig. 7: Structural model of water adsorption on 2D MoSH surface, density of states and corresponding charge density difference profile.

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

Fig. 7

a Lowest energy configuration of H2O adsorption, (b) projected density of states and (c) the corresponding charge density profile for H2O adsorbed with top and side view on 2D MoSH monolayer. The charge accumulation and depletion regions are represented by yellow and blue color, respectively, and 2 × 10−3 e/Å−3 has been set as the isosurface value.

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