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

      , , , ,   , , ,   ,
      The Journal of Chemical Physics
      AIP Publishing

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          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.

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          Rechargeable LI2O2 electrode for lithium batteries.

          Rechargeable lithium batteries represent one of the most important developments in energy storage for 100 years, with the potential to address the key problem of global warming. However, their ability to store energy is limited by the quantity of lithium that may be removed from and reinserted into the positive intercalation electrode, Li(x)CoO(2), 0.5 < x < 1 (corresponding to 140 mA.h g(-1) of charge storage). Abandoning the intercalation electrode and allowing Li to react directly with O(2) from the air at a porous electrode increases the theoretical charge storage by a remarkable 5-10 times! Here we demonstrate two essential prerequisites for the successful operation of a rechargeable Li/O(2) battery; that the Li(2)O(2) formed on discharging such an O(2) electrode is decomposed to Li and O(2) on charging (shown here by in situ mass spectrometry), with or without a catalyst, and that charge/discharge cycling is sustainable for many cycles.
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            Real-space grid implementation of the projector augmented wave method

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              yambo: An ab initio tool for excited state calculations

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                Author and article information

                Journal
                The Journal of Chemical Physics
                The Journal of Chemical Physics
                AIP Publishing
                0021-9606
                1089-7690
                February 21 2010
                February 21 2010
                : 132
                : 7
                : 071101
                Article
                10.1063/1.3298994
                20170208
                238651ae-db90-44a4-b654-7bf1cf05aacf
                © 2010
                History

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