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- W3099224829 abstract "The electronic structure of LiNiO$_2$, a promising Li-ion battery cathode material, has remained a challenge to understand due to its highly covalent yet correlated nature. Here we elucidate the electronic structure in LiNiO$_2$ and the related compound NaNiO$_2$ using x-ray absorption spectra (XAS) and quantum many-body calculations. Notably, we use inverse partial fluorescence yield to correctly measure the Ni $L$-edge XAS, which is inaccurate using conventional methods. We show that the XAS are indicative of a strong Jahn-Teller effect in NaNiO$_2$ and a bond disproportionated state in LiNiO$_2$, supporting a theory of a high-entropy, glassy disproportionated state that stabilizes charging cycles in LiNiO$_2$." @default.
- W3099224829 created "2020-11-23" @default.
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- W3099224829 date "2020-11-12" @default.
- W3099224829 modified "2023-10-16" @default.
- W3099224829 title "Evidence for bond-disproportionation in LiNiO2 from x-ray absorption spectroscopy" @default.
- W3099224829 cites W2585182081 @default.
- W3099224829 doi "https://doi.org/10.48550/arxiv.2011.06441" @default.
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