Figure 6 | Scientific Reports

Figure 6

From: A DFT study of superior adsorbate–surface bonding at Pt-WSe2 vertically aligned heterostructures upon NO2, SO2, CO2, and H2 interactions

Figure 6

Optimal arrangement and associated charge density distribution after SO2 adsorption at three distinct locations where a Pt is functionalized: (a) the hollow site in the basal configuration, (b) positioned above the W atom in the basal configuration, and (c) situated along the vertical edge of WSe2. Electron depletion and accumulation are represented by the colour spectrum, with rosy signifying depletion and green signifying accumulation.

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