Figure 13

MC and MD simulations results for the most favorable modes of adsorption configurations and positions obtained for (DHSiMF -2H+ and DHSiB -2H+/200 H2O/19 H3O+/20 Cl–) on Fe (1 1 0) surface, side, and top view.

MC and MD simulations results for the most favorable modes of adsorption configurations and positions obtained for (DHSiMF -2H+ and DHSiB -2H+/200 H2O/19 H3O+/20 Cl–) on Fe (1 1 0) surface, side, and top view.