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Structural Characterization of Layered LixNi0.5Mn0.5O2 (0 < x
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X-ray diffraction and X-ray absorption spectroscopy experiments were used to studychemical and electrochemical Li insertion and extraction reactions of LiNi0.5Mn0.5O2. Theseresults, along with galvanostatic cycling data, suggest that LiNi0.5Mn0.5O2 layered electrodesin lithium batteries operate predominantly off two-electron redox couples, Ni4+/Ni2+, betweenapproximately 4.5 and 1.25 V and Mn4+/Mn2+ between 1.25 and 1.0 V versus metallic Li,respectively. The retention of a stable layered framework structure and the apparent absenceof Jahn-Teller ions Ni3+ and Mn3+ in the high- or low-voltage region is believed to beresponsible for the excellent structural and electrochemical stability of these electrodes. TheLiNi0.5Mn0.5O2 layered oxide reversibly reacts chemically or electrochemically with Li to forman air-sensitive, dilithium compound, Li2Ni0.5Mn0.5O2, with a hexagonal structure analogousto Li2MnO2. The cycling behavior of Li/LiNi0.5Mn0.5O2 cells over a large voltage window (4.6-1.0 V) and with very slow rates shows that rechargeable capacities >500 mA·h/g can beobtained.

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