Extended d-electron state of Fe(CN)6 unit in Prussian blue analogue

Jungeun Kim, Hiroshi Tanaka, Kenichi Kato, Masaki Takata, Yutaka Moritomo

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

The Prussian blue analogue, AxM[Fe(CN)6]y zH2O (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(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.

Original languageEnglish
Article number25801
JournalApplied Physics Express
Volume4
Issue number2
DOIs
Publication statusPublished - 2011 Feb 1
Externally publishedYes

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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