where E total [V O ] and E total [P] denote the total energy of the supercells with and without an oxygen vacancy, respectively. µ O is the chemical potential of oxygen, where the gas phase O 2 molecule is used as the reference state. The details of these first principle calculations can be found in the references . Supplementary Fig. shows the influence of the applied tensile strain on the formation energy of oxygen vacancy in the layered oxide structure. The results indicate that the increased lattice strain notably decreases the energy barrier to remove lattice oxygen . To account for the impact of dislocation-induced shear during Li (de)intercalation on oxygen release in our meso-scale chemo-mechanical simulations, the material domains with a plastic shear exceeding 12% are delineated as the oxygen-deficient phase.