Revealing Short- and Long-range Li-ion diffusion in Li${}_2$MnO${}_3$ from finite-temperature dynamical mean field theory

Alex Taekyung Lee, Kristin A. Persson, Anh T. Ngo

Li${}_2$MnO${}_3$ is a key component of Li-excess layered cathodes of the form $(1-x),\mathrm{LiM}{\mathrm{O}}_2+x,\mathrm{L}{\mathrm{i}}_2\mathrm{Mn}{\mathrm{O}}_3$ ($M$ = Mn, Ni, Co, \dots), yet its role in setting Li-ion…