Fig. 2: Minimum energy path (MEP) plot for O2 evolution and Mn migration at the surface of Li2MnO3.
From: Highly reversible oxygen redox in layered compounds enabled by surface polyanions
a, b MEP plot for O2 evolution and Mn migration from the TM layer to the Li layer (upper) in the (001) (a) and (010) (b) surfaces, and the corresponding structures of some intermediates and transition states (below). All slabs in (a) and the first three slabs in (b) are shown as side views, while the last three slabs in (b) are top views to better visualize the Mn migration pathway.
