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Advances in Condensed Matter Physics
Volume 2013 (2013), Article ID 539620, 9 pages
Review Article

Alkali Cation Potential and Functionality in the Nanoporous Prussian Blue Analogues

1Graduate School of Pure and Applied Science, University of Tsukuba, Tsukuba, Ibraki 305-8577, Japan
2Tsukuba Research Center for Interdisciplinary Materials Science (TIMS), University of Tsukuba, Tsukuba, Ibraki 305-8577, Japan
3Department of Materials Science, Shimane University, Matsue, Shimane 690-8504, Japan

Received 1 October 2012; Revised 17 January 2013; Accepted 10 February 2013

Academic Editor: Michael C. Tringides

Copyright © 2013 Yutaka Moritomo and Hiroshi Tanaka. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Cation and/or molecule transfer within nanoporous materials is utilized in lithium-ion secondary battery, ion exchange, hydrogen storage, molecular sensors, molecular filters, and so on. Here, we performed ab initio total energy calculation to derive the alkali cation potential in the Prussian blue analogues, ( , Na, K, Rb, and Cs; , Ni, Mn, and Cd), with jungle-gym-type nanoporous framework. The potential curves of larger cations, that is, K+, Rb+ and Cs+, exhibit a barrier at the window of the host framework, while those of the smaller cations, that is, Li+ and Na+, exhibit no barrier. We will discuss the useful functionalities observed in the Prussian blue analogues, that is, (a) battery properties mediated by Li+ intercalation/de-intercalation, (b) electrochromism mediated by Na+ transfer in all solid device, and (c) the elimination of Cs+ from aqueous solution by precipitation, in terms of the alkali cation potentials.