fig6
Figure 6. (A) Optimized adsorption conformations of Na2S6; (B) Binding energy of NaPSs species; (C) Differential charge density distribution at interface of CoFe-MXene, yellow and blue regions indicate electron accumulation and depletion, respectively. (D) Density of states; (E) Gibbs free energy profiles of NaPSs species on the CoFe-MXene, CoFe and MXene. NaPSs: Sodium polysulfides.
