“…Due to strong interactions between Sn and Ru, SnH 4 can decompose into Sn and H on the Ru surface as experimentally demonstrated in refs 6, 7, and 46 ,, effectively leading to H migration from Sn to Ru. However, we do not find the corresponding energy barrier to compare with E es = 0.44 eV in our model, whereas 0.39 and 0.47 eV are reported in refs and , respectively, for the energy barrier for SnH 4 decomposition on Sn. Furthermore, although DFT studies show that H released by SnH x can penetrate into the Ru subsurface, , there is still lack of computational investigation of lateral H migration from SnH x to RuO 2 or Ru on the surface.…”