1. Identifying a descriptor for d-orbital delocalization in cathodes of Li batteries based on x-ray Compton scattering
- Author
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Barbiellini, B., Suzuki, K., Orikasa, Y., Kaprzyk, S., Itou, M., Yamamoto, K., Wang, Yung Jui, Hafiz, H., Yamada, R., Uchimoto, Y., Bansil, A., Sakurai, Y., and Sakurai, H.
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Condensed Matter - Materials Science - Abstract
We discuss how x-ray Compton scattering spectra can be used for investigating the evolution of electronic states in cathode materials of Li batteries under the lithiation/delithiation process. In particular, our analysis of the Compton spectra taken from polycrystalline LixCoO2 samples shows that the spectra are dominated by the contribution of the O-2p redox orbital. We identify a distinct signature of d-orbital delocalization, which is tied directly to the conductivity of the material, providing a descriptor based on Compton spectra for monitoring the lithiation range with improved conductivity and kinetics for electrochemical operation. Our study demonstrates that Compton scattering spectroscopy can provide a window for probing complex electronic mechanisms underlying the charging and discharging processes in Li-battery materials., Comment: 12 pages, 2 figures, and 1 table
- Published
- 2016
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