Composition dependence of average and local structure of xLi(Li1/3Mn2/3)O2-(1聽鈭捖?span style='font-style: italic'>x)Li(Mn1/3Ni1/3Co1/3)O2 active cathode material for Li ion batteries
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This study focused on the composition dependence of the crystal structure and cathode performance of xLi(Li1/3Mn2/3)O2-(1聽鈭捖?em>x)Li(Mn1/3Ni1/3Co1/3)O2 (0聽鈮ぢ?em>x聽鈮ぢ?) prepared by co-precipitation. From charge-discharge tests, it was found that there was large differences in the battery performance between the composition of x聽=聽0.2 and x聽鈮ヂ?.3. For the samples, the average crystal structures were determined by the Rietveld refinement of neutron diffraction patterns. The results indicated that for x聽=聽0.2, Li existed at both 2b and 4g sites, whereas for x聽鈮ヂ?.3, Li was localized at 2b sites and Mn occupied the 4g sites. In order to examine the local crystal structure, pair distribution function (PDF) and extended X-ray absorption fine structure (EXAFS) analyses were carried out. From the PDF analysis, a significant difference was seen in the short-range peaks associated with the transition metal layer for x聽=聽0.2, 0.4 and 0.6. The EXAFS results indicated a large difference in the local structure around Mn for x聽=聽0.2 and x聽鈮ヂ?.3. This is thought to be due to ordering of LiMn6 and LiMn5Ni, which is likely to affect cathode performance.
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