The performance of lithium-ion batteries
is intimately linked to
both the structure and the morphology of the cathode material, which
in turn is critically linked to the synthesis conditions. However,
few studies focus on understanding synthesis, especially during the
coprecipitation of metal oxide precursors, a process that largely
determines the final morphology of the material. In this paper, we
go beyond the typical equilibrium particle shape analysis conducted
in the literature and incorporate kinetic aspects of morphology evolution.
We perform these studies using controlled synthesis on a well-defined
metal salt system (MnCO3) combined with multiscale simulations
and high-resolution microscopy. Results show that with increasing
metal concentration, the particles transition from rhombohedral to
cubic to spherical shapes. Computational analysis using density functional
theory (DFT) reveals that rhombohedral shaped particles evolve under
equilibrium conditions. Phase field techniques indicate that at higher
metal concentrations, fast growth kinetics of the precipitates result
in the transition to cubic and, subsequently, spherical shapes, accompanied
by a decrease in particle size. This study, while limited to the one
metal salt system, provides an approach to shed light on the synthesis
process of mixed transition metal salts, gradient materials, and other
cathode materials of interest to the battery community.