Identifying a descriptor for d-orbital delocalization in cathodes of Li   batteries based on x-ray Compton scattering
  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. 
B. Barbiellini, K. Suzuki, Y. Orikasa, S. Kaprzyk, M. Itou, K.   Yamamoto, Yung Jui Wang, H. Hafiz, R. Yamada, Y. Uchimoto, ...
cond-mat.mtrl-sci