文章基本信息

标题：Alkali Cation Potential and Functionality in the Nanoporous Prussian Blue Analogues
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作者：Yutaka Moritomo ; Hiroshi Tanaka
期刊名称：Advances in Condensed Matter Physics
印刷版ISSN：1687-8108
电子版ISSN：1687-8124
出版年度：2013
卷号：2013
DOI：10.1155/2013/539620
出版社：Hindawi Publishing Corporation
摘要：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