Experiments and DFT calculations on the effects of interstitial hydrogen on Ti corrosion products in high temperature water

The effects of the interstitial hydrogen on the characteristics of corrosion product of pure Ti in high temperature water was studied by a double exposure corrosion experiment and DFT calculations. A double-layer corrosion product was found in both internally hydrogen charged specimen and internally vacuumed specimen. The main difference in corrosion product was the thickness of outer layer. The adsorption energies of Fe, Ti and O atoms on three surfaces (Ti, TiO2 and FeTiO3) with and without an interstitial hydrogen were considered in the DFT calculation. The correlations between the experimental results and DFT calculations were also discussed.