First-principles study of oxygen adsorbed on Au-doped RuO2 (110) surface Project supported by the Natural Science Foundation of Anhui Province, China (Grant Nos. KJ2018A0588 and KJ2019A0879). |
Minimum energy path for O2 dissociation at br vacancy B–Au and A–Rucus and diffusion of O* between Rucus and Au. Cross-sectional structures are shown for initial state (IS), transition state, and final state (FS), with gray balls representing Ru, golden balls Au, and red balls oxygen. |
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