Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery

Authors
Jens S. Hummelshøj,
Jakob Blomqvist,
Soumendu Datta,
Tejs Vegge,
Jan Rossmeisl,
Kristian S. Thygesen,
Alan C. Luntz,
Karsten W. Jacobsen,
Jens K. Nørskov
Year of publication
2010
Journal
The Journal of Chemical Physics
Issue
7
Volume
132
Starting page
71101
We discuss the electrochemicalreactions at the oxygen electrode of an aprotic Li-air battery. Using density functional theory to estimate the free energy of intermediates during the discharge and charge of the battery, we introduce a reactionfree energy diagram and identify possible origins of the overpotential for both processes. We also address the question of electron conductivity through the Li 2 O 2 electrode and show that in the presence of Li vacancies Li 2 O 2 becomes a conductor.