| Literature DB >> 20170208 |
J S Hummelshøj1, J Blomqvist, S Datta, T Vegge, J Rossmeisl, K S Thygesen, A C Luntz, K W Jacobsen, J K Nørskov.
Abstract
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 Li(2)O(2) electrode and show that in the presence of Li vacancies Li(2)O(2) becomes a conductor.Entities:
Year: 2010 PMID： 20170208 DOI： 10.1063/1.3298994
Source DB: PubMed Journal: J Chem Phys ISSN： 0021-9606 Impact factor: 3.488