The present study investigated the temperature dependence of the local structure of 0.4Li₂MnO₃-0.6LiMn_1/3Ni_1/3Co_1/3O₂ electrodes during the first discharge cycle, using neutron and synchrotron X-ray diffraction. It was found that at 60 °C, a capacity of more than 280 mAh/g could be achieved at a voltage of 2.5–4.8 V vs. Li/Li⁺, which was larger than the capacity at room temperature. To clarify the reason for this, an analysis was carried out based on the pair distribution function for electrodes following their first charge and discharge cycles. The results indicated a unique distortion of Ni-O₆ octahedra at higher temperature. In addition, an analysis using X-ray absorption near edge structure spectroscopy indicated a change in valence during charging and discharging based on a shift in the position of peaks associated with Mn, Ni, and Co. At 60 °C, the shift was particularly large for the Ni peak. Thus, the operating temperature can have a large effect on the behavior of especially Ni, which can influence the battery characteristics.

本研究使用中子和同步加速器X射线衍射研究了第一个放电周期中0.4Li ₂ MnO ₃ -0.6LiMn _1/3 Ni _1/3 Co _1/3 O ₂电极局部结构的温度依赖性。研究发现，在60°C下，相对于Li / Li ⁺的2.5–4.8 V电压，可以达到280 mAh / g以上的容量，该容量大于室温下的容量。为了阐明其原因，在电极的首次充电和放电循环之后，基于电极对的分布函数进行了分析。结果表明，Ni-O ₆有独特的形变八面体温度较高。另外，使用X射线吸收的近边缘结构光谱的分析表明，基于与Mn，Ni和Co相关的峰的位置的偏移，充电和放电期间的化合价变化。在60℃下，该偏移尤其明显。镍峰大。因此，工作温度尤其对Ni的性能具有很大的影响，这会影响电池特性。