Rietveld法计算MH-Ni电池电极材料物相标准谱  

Calculation of the standard XRD patterns of electrode materials for Ni-MH battery by Rietveld method

作　　者：王超群[1] 王宁[2] 李娜娜[3] 

机构地区：[1]北京有色金属研究总院,北京100088 [2]北京工业大学材料学院,北京100022 [3]中南大学材料系,湖南长沙410083

出　　处：《电源技术》2002年第6期445-447,共3页Chinese Journal of Power Sources

基　　金：国家自然科学基金资助项目 (59872 0 0 6)

摘　　要：用Rietveld分析法模拟计算MH Ni电池电极材料主要物相 [如 β Ni(OH) 2 ,γ NiOOH和LaNi5,La2 O3 与La(OH) 3等 ]标准X射线衍射谱 ,并根据多相体模型定量分析 (或称无标定量相分析法 )确定电极制备与充放电过程中少量第二相的含量。结果表明 :在峰形与峰宽参数选择合适以及无择优取向的条件下 ,模拟计算结果与参比强度法也即K值法[1]测算的结果相一致。该法的优点是可以给出全衍射谱的概念 。The standard X ray diffraction (XRD) patterns of the key phases of electrode materials for Ni MH battery, such as β Ni(OH) 2, γ NiOOH and LaNi 5, La 2O 3 and La(OH) 3, etc., were calculated analogically by means of Rietveld method. The preparation of electrodes and the content of small amount of the second phase during charge/discharge process were determined by multi phase model quantitative analysis. The results show that the value obtained by analog calculation is in accordance with that obtained by reference intensity method, i.e. the K value method, if the parameters of peak shape and the peak width is chosen appropriately and there is no preferred orientation. The advantages of the method is to provide the concept of complete XRD pattern and to shorten the data collecting time in common Rietveld method as well as to solve the obstacle of sample preparation for quantitative phase analysis.

关 键 词：Rietveld法 计算 MH-NI电池 电极材料 物相标准谱 标准X射线衍射谱 定量相分析 

分 类 号：TM912.2[电气工程—电力电子与电力传动]