Redox mechanism in the binary transition metal phosphide Cu3P
Redox mechanism in the binary transition metal phosphide Cu3P
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DOI：
10.1016/j.jpcs.2006.01.055
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发表时间：
2006-05
影响因子：
4
通讯作者：
B. Mauvernay;M. Doublet;L. Monconduit
中科院分区：
文献类型：
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作者：
B. Mauvernay;M. Doublet;L. Monconduit
通过恒电流和恒电位测量研究了二元过渡金属磷化物Cu_3P对锂的电化学行为。通过高温合成得到的该体系显示出比石墨更好的体积容量和良好的容量保持率。原位X射线衍射和第一性原理电子结构计算与电化学结果相结合，表明3Li+在Cu3P电极中的完全插入伴随着锂组分LixCu（3−x）P（x= 1，2，3）的三个中间相的形成。先前在放电中观察到的额外容量现在清楚地归因于锂插入CuP2杂质和SEI反应。
The electrochemical behaviour of the binary transition metal phosphide Cu3P towards lithium is investigated through galvano- and potentiostatic measurements. Obtained through high-temperature synthesis, this system shows a better volumetric capacity than graphite and a good capacity retention. In situ X-ray diffraction and first-principles electronic structure calculations are combined with the electrochemical results to show that the complete insertion of 3Li+in the Cu3P electrode proceeds with the formation of three intermediate phases of lithium composition LixCu(3−x)P (x=1,2,3). The extra capacity previously observed in discharge is now clearly assigned to lithium insertion into the CuP2impurity and to SEI reactions.