Size-dependent adsorption sites in a Prussian blue nanoparticle: A 3D-RISM study

作者：Ruankaew Nirun; Yoshida Norio^*; Watanabe Yoshihiro; Nakano Haruyuki; Phongphanphanee Saree^*

来源：Chemical Physics Letters, 2017, 684: 117-125.

DOI：10.1016/j.cplett.2017.06.053

• Prussian blue
• Cesium
• Selective adsorption
• 3D-RISM
• Ion selectivity
• Adsorption site

The specific adsorption of alkali ions, Li*, Ma*, and Cs*, in electrolyte solutions on Prussian blue (PB) is investigated by using the three-dimensional (3D) reference interaction site-model (RISM) theory. The results from 3D-RISM show dramatically different adsorption sites between large ions or and Cs+) and small ions (Li+ and Na+). The small ions are adsorbed at the channel entrance sites without the water ion exchange mechanism. In contrast, the large ions are adsorbed in PB by the water-ion exchange mechanism, and the adsorption site of large ions is located at the center of the cage or at the interstitial site.

• 出版日期2017-9-16