Extended d-Electron State of Fe(CN)6 Unit in Prussian Blue Analogue
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概要
- 論文の詳細を見る
The Prussian blue analogue, $A_{x}M$[Fe(CN)6]y$z$H2O ($A$ and $M$ are an alkali metal and a transition metal, respectively), is one of the candidates for a positive electrode material of a lithium-ion secondary battery. For further development of the electrode material, deeper understanding of the redox states of the constituents, i.e., $M$ and the Fe(CN)6 unit, is indispensable. Here, we investigated the electronic state of the redox constituents of K0.34Co[Fe(CN)6]0.753.6H2O by means of the electrostatic potential method combined with the maximum entropy method combined with the Rietveld analysis (MEM/Rietveld). The electrostatic potential $U(\mbi{r})$ revealed that both the reduced and oxidixed states of Fe extend to the surrounding CN groups, which may cause the robustness of the cyano-bridged transition metal network.
- 2011-02-25
著者
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Kato Kenichi
RIKEN
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MORITOMO Yutaka
JASRI/SPring-8
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Takata Masaki
Riken Spring-8 Center And Crest Japan Science And Technology Agency
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Tanaka Hiroshi
Department Of Analytical Chemistry Faculty Of Pharmaceutical Sciences Hoshi University
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Kim Jungeun
Jasri Hyogo Jpn
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Kato Kenichi
RIKEN SPring-8 Center, Sayo, Hyogo 679-5148, Japan
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Tanaka Hiroshi
Department of Materials Science, Shimane University, Matsue 690-8504, Japan
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Takata Masaki
RIKEN Harima Institute, Kouto, Sayo-cho, Sayo, Hyogo 679-5148, Japan
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