根据Li(Ni,Co,Mn)O_2 晶体中Li~+和Ni~(2+)的阳离子混排占位模型进行模拟计算,建立了(I_(003)/I_(104))~(1/2)、(I_(101)/I_(012))~(1/2)、(I_(101)/I_(104))~(1/2)等特征衍射线强度比与混排占位参数x的线性方程式.结合实验测得的X-射线衍射谱和混排占位模型研究了Li(Ni,Co,Mn)O_2合成过程中的结构演变过程.
According to the Li~+/Ni~(2+) cation mixing model in the Li(Ni,Co,Mn)O_2 crystals,the linear correlations between the characteristic diffraction intensities of(I_(003)/I_(104))~(1/2),(I_(101)/I_(012))~(1/2),(I_(101)/I_(104))~(1/2) and the cation mixing parameter were founded.On the basis of X-ray powder diffraction (XRD) data gained from the experimental results and the cation mixing model,the structural evolution of Li(Ni,Co,Mn)O_2 during the preparation were studied.
参考文献
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