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After the accident of Fukushima's nuclear power plant, soil contamination was caused by radioactive cesium. in this study, the new cesium-adsorbent: Cs1-xnaxMn(Cn)3 Prussian blue analogue was theoretically designed to solve the problem. in Prussian blue (iron cyano-compound), both water defect and iron vacancy are closely related to cesiumadsorption. On the other hand, in Cs1-xnaxMn(Cn)3, the cesium-adsorption mechanism is completely different. hybrid Kohn-sham DFT calculations were performed to investigate the cesium-adsorption mechanism. it was concluded that more stable and efficient cesium-adsorption can be realized by the ion exchange between counter cations (between sodium and cesium ions), under applied voltage.

journal of computer chemistry, japan

A Material Design on Radioactive Cesium Adsorbent: Cs&lt;sub&gt;1-x&lt;/sub&gt;Na&lt;sub&gt;x&lt;/sub&gt;Mn&lt;sup&gt;II&lt;/sup&gt;(CN)&lt;sub&gt;3&lt;/sub&gt; Prussian Blue Analogue