305634.fig.004a
305634.fig.004b
Figure 4: Lower pane: the binding energy of transition state for H diffusion (BETS) plotted versus the binding energy of initial state (BEIS); upper pane: the binding energy of transition state for H diffusion (BETS) plotted versus the binding energy of final state (BEFS). In order to calculate hydrogen binding energies we refer adsorbed state to the isolated H atom. Binding energy of H2 molecule was estimated here to amount to 4.50 eV.