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- W2896685569 abstract "Recent debates on the oxygen redox behaviors in battery electrodes have triggered a pressing demand for the reliable detection and understanding of non-divalent oxygen states beyond conventional absorption spectroscopy. Here, enabled by high-efficiency mapping of resonant inelastic X-ray scattering (mRIXS) coupled with first-principles calculations, we report distinct mRIXS features of the oxygen states in Li2O, Li2CO3, and especially, Li2O2, which are successfully reproduced and interpreted theoretically. mRIXS signals are dominated by valence-band decays in Li2O and Li2CO3. However, the oxidized oxygen in Li2O2 leads to partially unoccupied O-2p states that yield a specific intra-band excitonic feature in mRIXS. Such a feature displays a specific emission energy in mRIXS, which disentangles the oxidized oxygen states from the dominating transition-metal/oxygen hybridization features in absorption spectroscopy, thus providing critical hints for both detecting and understanding the oxygen redox reactions in transition-metal oxide based battery materials." @default.
- W2896685569 created "2018-10-26" @default.
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- W2896685569 date "2018-10-16" @default.
- W2896685569 modified "2023-10-02" @default.
- W2896685569 title "Spectroscopic Signature of Oxidized Oxygen States in Peroxides" @default.
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- W2896685569 doi "https://doi.org/10.1021/acs.jpclett.8b02757" @default.
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