Transition metal ordering in LiNiO2 and its effect on the performance as cathode material in batteries

Layered oxides (LiMeO2, Me = Co, Ni, Mn) with the space group R-3m are state-of-the-art cathode materials in Li ion batteries. In these materials, Ni2+ is the redox-active centre, and the amount of Ni2+ limits the capacity. The amount, in turn, is a maximum of 1/3 of the Me 3a sites in the Me-O host structures. LiNiO2 is, with 33%, the material with the highest Ni2+ content. This work aims to unravel the origin of the Ni2+ content- and, thus the capacity-limitation of layered oxides.