Metal-oxyen batteries have recently been the subject of intense study due to their high theoretical specific energies. However, several challenges -- many related to interfacial processes -- must to be addressed before these batteries can be viable. In the case of Li-O2 systems, sluggish charge transport within the Li2O2 discharge phase and electrolyte decomposition at the electrolyte/Li2O2 interface have been discussed as limiting factors. To probe these phenomena, we describe first-principles calculations which explore the formation of space charge layers in Li2O2 films and electrolyte decomposition pathways on Li2O2 surfaces.
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