![]() ![]() ![]() ![]() Experimental and simulated O K-edge X-ray emission spectra (XES) further supported this observation with the broadening of the oxygen non-bonding feature upon charging, also originated from (O-O) σ* states. Experimental Ru L 3-edge high-energy-resolution fluorescence detected X-ray absorption spectra (HERFD-XAS), supported by ab-initio simulations, revealed that the increased intensity in the high-energy shoulder upon lithium de-intercalation resulted from increased O-O coupling, inducing (O-O) σ*-like states with π overlap with Ru d-manifolds, in agreement with O K-edge XAS spectra. ![]() In this work, we have shown electronic signatures of oxygen-oxygen coupling, direct evidence central to lattice oxygen redox (O 2−/(O 2) n−), in charged Li 2-xRuO 3 after Ru oxidation (Ru 4+/Ru 5+) upon first-electron removal with lithium de-intercalation. The physical origin of observed anion redox remains debated, and more direct experimental evidence is needed. Anion redox in lithium transition metal oxides such as Li 2RuO 3 and Li 2MnO 3, has catalyzed intensive research efforts to find transition metal oxides with anion redox that may boost the energy density of lithium-ion batteries. ![]()
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