Abstract

The large voltage hysteresis between charge and discharge results in significant energy loss which hinders practical application of the high-energy Li-O2 battery. The oxyhalogen-sulfur electrochemistry offers a new hybrid Li ion/Li-O2 battery, where both Li ions and O anions are reversibly stored in the MoS2structure. A new Li2MoO2S2 compound is formed as the main discharge product that has never been observed in the literature before. The reaction mechanism and the structure of the Li2MoO2S2 are probed by the Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), differential electrochemical mass spectrometry (DEMS) and Ultraviolet-visible (UV) spectroscopy. The results show that the MoS2 is oxidized during discharge and is recovered during charge. Theiodine intermediatesplay an important role in triggering the sequence of electrochemical and chemical reactions in the cell. The Li2MoO2S2 is isostructural to the Li2MoO4 rather than adopts structures of other known molybdenum oxysulfides.

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