Several Ru-Ti oxide-based catalysts were investigated for the catalytic oxidation of HCl to Cl₂ in this work. The active component RuO₂ was loaded on different titanium-containing supports by a facile wetness impregnation method. The Ru-Ti oxide based catalysts were characterized by XRD, N₂ sorption, SEM, TEM, H₂-TPR, XPS, and Raman, which is correlated with the catalytic tests. Rutile TiO₂ was confirmed as the optimal support even though it has a low specific surface area. In addition to the interfacial epitaxial lattice matching and epitaxy, the extraordinary performance of Ru-Ti rutile oxide could also be attributed to the favorable oxygen species on Ru sites and specific active phase-support interactions. On the other hand, the influence of additive Ce on the RuO₂/TiO₂-rutile was studied. The incorporation of Ce by varied methods resulted in further oxidation of RuO₂ into RuO₂^δ+ and a modification of the support structure. The amount of favorable oxygen species on the surface was decreased. As a result, the Deacon activity was lowered. It was demonstrated that the surface oxygen species and specific interactions of the Ru-Ti rutile oxide were critical to HCl oxidation.

Hydrogen as clean energy can effectively solve the problems of fossil energy shortage and environmental pollution. However, traditional methods of H₂ production are generally lacking in application value. The procedure for manufacturing H₂ by a reaction between active metals and H₂O has received wide attention due to its high efficiency. Profound insights into the mechanism and influencing factors of H₂ production from active metals are insufficient. The ReaxFF reaction force field module of the Amsterdam Modeling Suite (AMS) is applied in this paper to simulate the reaction of Ni-Al alloys with H₂O. It reveals the reaction route of H₂ production at the atomic level. The calculation results show that Al is the most critical active site. Moreover, the H₂ production capacity of the alloy varies with the crystal structure and atomic ratio. The H₂ production rate decreases due to the influence of the water solvation layer and surface coverage. Oxygen reduces the H₂ production capacity because oxygen reduces the active sites for H₂O adsorption by forming a stable oxide layer with Al.