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Journal article

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

By Hummelshøj, Jens Strabo1,2; Blomquist, Jakob1,2; Datta, Soumendu1,2; Vegge, Tejs3,4,5; Rossmeisl, Jan1,2; Thygesen, Kristian Sommer1,2; Luntz, A. C.; Jacobsen, Karsten Wedel1,2; Nørskov, Jens Kehlet1,2

From

Computational Atomic-scale Materials Design, Department of Physics, Technical University of Denmark1

Department of Physics, Technical University of Denmark2

Nano-Microstructures in Materials, Materials Research Division, Risø National Laboratory for Sustainable Energy, Technical University of Denmark3

Materials Research Division, Risø National Laboratory for Sustainable Energy, Technical University of Denmark4

Risø National Laboratory for Sustainable Energy, Technical University of Denmark5

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.

Language: English
Publisher: American Institute of Physics
Year: 2010
Pages: 071101
ISSN: 10897690 and 00219606
Types: Journal article
DOI: 10.1063/1.3298994
ORCIDs: Vegge, Tejs , Thygesen, Kristian Sommer , Jacobsen, Karsten Wedel and Nørskov, Jens Kehlet
Keywords

Batterier og kulstoffri kemisk energilagring Batteries and carbon-free energy storage Materialer og energilagring Materials and energy storage

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