First-principles study of oxygen adsorbed on Au-doped RuO<sub>2</sub> (110) surface<xref rid="cpb_28_11_116107fn1" ref-type="fn">*</xref> <fn id="cpb_28_11_116107fn1"> <label>*</label> <p>Project supported by the Natural Science Foundation of Anhui Province, China (Grant Nos. KJ2018A0588 and KJ2019A0879).</p> </fn>

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).

Zhang Ji^{1, †}, Zhang De-Ming^{1, 2}

Minimum energy path for O₂ dissociation at br vacancy B–Au and A–Ru_cus and diffusion of O* between Ru_cus 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.