Neutron Diffraction Study of the Li-Ion Battery Cathode Li2FeP2O7

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• 作者：Prabeer Barpanda ; Gwena毛lle Rousse ; Tian Ye ; Chris D. Ling ; Zakiah Mohamed ; Yannick Klein ; Atsuo Yamada
• 刊名：Inorganic Chemistry
• 出版年：2013
• 出版时间：March 18, 2013
• 年：2013
• 卷：52
• 期：6
• 页码：3334-3341
• 全文大小：591K
• 年卷期：v.52,no.6(March 18, 2013)
• ISSN：1520-510X

文摘

With a combination of magnetic susceptibility measurements and low-temperature neutron diffraction analyses, the magnetic structure of Li₂FeP₂O₇ cathode has been solved. This pyrophosphate Li₂FeP₂O₇ compound stabilizes into a monoclinic framework (space group P2₁/c), having a pseudolayered structure with the constituent Li/Fe sites distributed into MO₆ and MO₅ building units. The magnetic susceptibility follows a Curie鈥揥eiss behavior above 50 K. Li₂FeP₂O₇ shows a long-range antiferromagnetic ordering at T_N = 9 K, as characterized by the appearance of distinct additional peaks in the neutron diffraction pattern below T_N. Its magnetic reflections can be indexed with a propagation vector k = (0,0,0). The magnetic moments inside the FeO₆鈥揊eO₅ clusters are ferromagnetic, whereas these clusters are antiferromagnetic along the chains. The adjacent chains are in turn ferromagnetically arranged along the a-axis. The magnetic structure of Li₂FeP₂O₇ cathode material is described focusing on their localized spin鈥搒pin exchange. The magnetic structure and properties have been generalized for Li₂FeP₂O₇鈥揕i₂CoP₂O₇ binary solid solutions.