Abstract
Li-O-2 batteries have attracted a lot of attention because of their high theoretical capacity. Due to the high complexity of these systems, deep understanding of the discharge mechanism is still needed to push the state-of-the-art performance of Li-O-2 batteries to the theoretical one. A universal multiscale model combining nucleation theory, detailed reaction kinetics, and mass transport is presented in this article, which encompasses the impacts of discharge rate, electrolyte property and electrode surface properties on the discharge capacity of Li-O-2 batteries and on the morphology of the Li2O2 arising from its nucleation process.