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    Characterization of Battery Materials by X-ray Compton Scattering
    Hiroshi Sakurai1; Kosuke Suzuki1; Tsuyoshi Takami2; Yoshiharu Uchimoto2; Naruki Tshuji3; Arun Bansil4; Bernardo Barbiellini5; Kazushi Hoshi1; Yoshiharu Sakurai3;
    1GUNMA UNIVERSITY, Kiryu, Japan; 2KYOTO UNIVERSITY, Kyoto, Japan; 3JASRI, Sayo, Japan; 4NORTHEASTERN UNIVERSITY, Boston, United States; 5LUT UNIVERSITY, Lappeenranta, Finland;
    PAPER: 401/SISAM/Invited (Oral)
    SCHEDULED: 16:20/Tue. 29 Nov. 2022/Ballroom A



    ABSTRACT:
    Compton-scattered X-ray spectra correspond to the electron momentum density in matter and reflect the wave function in the ground state [1]. Therefore, it is relatively easy to interpret the observed Compton-scattered X-ray spectrum by ab initio electronic structure calculations. The observed information is bulk-sensitive because prover X-rays have energies above 100 keV and are highly penetrating through materials. This research focuses on lithium-ion secondary battery materials. In green technologies such as electric vehicles, improvement of rechargeable battery materials is a key to enhance energy density and charge-discharge stability. In practical batteries, it is important to understand redox reactions and their spatial distribution. From a view point of redox reactions, we measured spinel LixMn2O4, a Li-ion battery cathode material. We found that the redox orbital in the lithium insertion and extraction process is mainly the oxygen 2p orbital [2], although the redox orbital has been considered to be manganese 3d states [3,4]. Furthermore, analysis of the shape of Compton-scattered X-ray spectra can be used as a new nondestructive testing (NDT) technique. We proposed S-parameter analysis to observe the spatial distribution of redox reactions in commercial batteries [5]. Our research shows that Compton scattering measurements can provide insight into the mechanism of lithium batteries and point the way to improved battery materials and new battery designs.

    References:
    references
    [1] M. J. Cooper et al.,X-ray Compton Scattering (Oxford University Press, Oxford, 2004).
    [2] K. Suzuki et al. Phys. Rev. Lett. 114, 087401 (2015).
    [3] H. Berg et al., J. Mater. Chem. 9, 2813 (1999).
    [4] G. E. Grechnev et al. Phys. Rev. B 65, 174408 (2002).
    [5] K. Suzuki et al., J. Appl. Phys. 119, 025103 (2016).