fig6

Figure 6. DFT analysis of sulfur-species adsorption on electrodes. (A) Optimized adsorption configurations of S^2- and S₂^2- on the basal plane of CuS-WA/CF. (B) Calculated adsorption energies (E_ads) of S^2- and S₂^2- on the surface of CuS-WA/CF and pristine CF. Differential charge-density maps for the adsorption of both sulfur species on (C) CuS-WA/CF and (D) pristine CF. Yellow and cyan isosurfaces indicate electron accumulation and depletion, respectively.