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

Jens Strabo Hummelshøj, Jakob Blomquist, Soumendu Datta, Tejs Vegge, Jan Rossmeisl, Kristian Sommer Thygesen, A. C. Luntz, Karsten Wedel Jacobsen, Jens Kehlet Nørskov

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We discuss the electrochemical reactions 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 reaction free energy diagram and identify possible origins of the overpotential for both processes. We also address the question of electron conductivity through the Li2O2 electrode and show that in the presence of Li vacancies Li2O2 becomes a conductor.
Original languageEnglish
JournalJournal of Chemical Physics
Issue number7
Pages (from-to)071101
Publication statusPublished - 2010

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Copyright (2010) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.


  • Batteries and carbon-free energy storage
  • Materials and energy storage


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