Structural Phase Diagram of Mn-Fe Cyanide against Cation Concentration
Structural Phase Diagram of Mn-Fe Cyanide against Cation Concentration
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DOI：
10.1143/jpsj.80.103601
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发表时间：
2011-10-01
影响因子：
1.7
通讯作者：
Kim, Jungeun
中科院分区：
文献类型：
--
作者：
Moritomo, Yutaka;Kurihara, Yutaro;Kim, Jungeun
以NaxMn[Fe（CN）（6）]（y）中心点zH（2）O为代表的氰基桥连过渡金属化合物是一种很有前途的锂离子二次电池正极材料。在这里，我们系统地研究了它们的结构与温度（T）和阳离子浓度（x）的关系。我们观察到随着T的减小和x的增加，它们的结构从立方（Fm（3）在barm上;在六方设置中Z = 4）到三方（R（3）在barm上; Z = 12），再到单斜（P2/m; Z = 2）的连续变化。从主体骨架和客体阳离子之间的相互作用角度讨论了三角-单斜结构相变。
Cyano-bridged transition metal compounds, represented as NaxMn[Fe(CN)(6)](y) center dot zH(2)O, are promising cathode materials for Li ion secondary batteries. Here, we systematically investigated their structure against temperature (T) and cation concentration (x). We observed successive changes in their structure from cubic (Fm(3)over barm; Z = 4 in the hexagonal setting) to trigonal (R(3)over barm; Z = 12), to monoclinic (P2/m; Z = 2) ones with decreasing T and increasing x. The trigonal-monoclinic structural phase transition was discussed in terms of the interaction between the host framework and the guest cation.