Abstract

We investigated the electrochemical cycling effects on the average, local, and electronic structures of 1st and 28th cycled Li1−xNi0.5Mn1.5O4 (LNMO) by Rietveld refinements, the maximum entropy method (MEM) for synchrotron X–ray, and X–ray absorption spectroscopy (XAS) using unexposed cathode materials. The results obtained with Rietveld refinements and XAS showed that the electrochemical cycling increases the transition metal valences, distorts the (Ni, Mn)–O6 octahedral, and decreases the Ni content in LNMO. Through MEM analyses we found that Li ions were stabilized by the electrochemical cycling. We also used synchrotron X–ray analyses to ascertain the correlation among specific capacity degradation, average and local structures, and the electron density before and after cycled LNMO.

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